USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=9 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 180:sc= 0 USER MOD Set 1.2: A 56 HIS :FLIP no HE2:sc= -3.26 F(o=-4.1!,f=-3.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -167:sc=-0.00599 (180deg=-0.202) 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 :FLIP no HD1:sc= 0 F(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 -13.706 -0.901 6.335 1.00 0.00 N ATOM 43 CA LEU A 3 -12.352 -1.085 5.825 1.00 0.00 C ATOM 44 C LEU A 3 -11.864 -2.508 6.075 1.00 0.00 C ATOM 45 O LEU A 3 -12.341 -3.189 6.983 1.00 0.00 O ATOM 46 CB LEU A 3 -11.399 -0.084 6.480 1.00 0.00 C ATOM 47 CG LEU A 3 -11.724 1.394 6.262 1.00 0.00 C ATOM 48 CD1 LEU A 3 -10.868 2.268 7.166 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.522 1.775 4.803 1.00 0.00 C ATOM 0 HA LEU A 3 -12.369 -0.911 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.382 -0.277 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.393 -0.273 6.106 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.771 1.557 6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.113 3.316 6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.062 2.014 8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.814 2.101 6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.758 2.830 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.485 1.596 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.178 1.172 4.175 1.00 0.00 H new ATOM 61 N VAL A 4 -10.908 -2.951 5.265 1.00 0.00 N ATOM 62 CA VAL A 4 -10.352 -4.292 5.401 1.00 0.00 C ATOM 63 C VAL A 4 -8.843 -4.287 5.181 1.00 0.00 C ATOM 64 O VAL A 4 -8.327 -3.520 4.369 1.00 0.00 O ATOM 65 CB VAL A 4 -11.001 -5.272 4.405 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.374 -5.703 4.897 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.094 -4.642 3.023 1.00 0.00 C ATOM 0 H VAL A 4 -10.502 -2.401 4.508 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.567 -4.622 6.417 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.373 -6.160 4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.817 -6.395 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.276 -6.196 5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.015 -4.827 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.555 -5.348 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.700 -3.737 3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.094 -4.389 2.670 1.00 0.00 H new ATOM 77 N GLU A 5 -8.141 -5.148 5.911 1.00 0.00 N ATOM 78 CA GLU A 5 -6.691 -5.242 5.796 1.00 0.00 C ATOM 79 C GLU A 5 -6.294 -6.132 4.622 1.00 0.00 C ATOM 80 O GLU A 5 -6.597 -7.325 4.604 1.00 0.00 O ATOM 81 CB GLU A 5 -6.088 -5.790 7.092 1.00 0.00 C ATOM 82 CG GLU A 5 -4.577 -5.938 7.045 1.00 0.00 C ATOM 83 CD GLU A 5 -3.979 -6.247 8.404 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.104 -5.402 9.314 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.386 -7.336 8.557 1.00 0.00 O ATOM 0 H GLU A 5 -8.553 -5.790 6.588 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.302 -4.240 5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.354 -5.127 7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.533 -6.761 7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.315 -6.734 6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.137 -5.018 6.659 1.00 0.00 H new ATOM 92 N ILE A 6 -5.616 -5.542 3.643 1.00 0.00 N ATOM 93 CA ILE A 6 -5.178 -6.281 2.466 1.00 0.00 C ATOM 94 C ILE A 6 -3.688 -6.599 2.539 1.00 0.00 C ATOM 95 O ILE A 6 -3.254 -7.679 2.142 1.00 0.00 O ATOM 96 CB ILE A 6 -5.460 -5.495 1.171 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.854 -4.093 1.257 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.958 -5.416 0.915 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.850 -3.354 -0.063 1.00 0.00 C ATOM 0 H ILE A 6 -5.358 -4.555 3.642 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.745 -7.211 2.449 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.996 -6.020 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.412 -3.509 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.831 -4.170 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.141 -4.858 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.364 -6.423 0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.444 -4.911 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.406 -2.368 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.268 -3.916 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.873 -3.245 -0.422 1.00 0.00 H new ATOM 111 N GLY A 7 -2.911 -5.651 3.053 1.00 0.00 N ATOM 112 CA GLY A 7 -1.478 -5.850 3.171 1.00 0.00 C ATOM 113 C GLY A 7 -0.848 -4.934 4.202 1.00 0.00 C ATOM 114 O GLY A 7 -1.505 -4.033 4.724 1.00 0.00 O ATOM 0 H GLY A 7 -3.248 -4.749 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.279 -6.887 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.009 -5.678 2.202 1.00 0.00 H new ATOM 118 N ARG A 8 0.427 -5.165 4.496 1.00 0.00 N ATOM 119 CA ARG A 8 1.144 -4.355 5.473 1.00 0.00 C ATOM 120 C ARG A 8 2.552 -4.030 4.981 1.00 0.00 C ATOM 121 O ARG A 8 3.220 -4.871 4.380 1.00 0.00 O ATOM 122 CB ARG A 8 1.217 -5.083 6.816 1.00 0.00 C ATOM 123 CG ARG A 8 1.888 -4.273 7.913 1.00 0.00 C ATOM 124 CD ARG A 8 2.374 -5.164 9.045 1.00 0.00 C ATOM 125 NE ARG A 8 1.305 -6.002 9.580 1.00 0.00 N ATOM 126 CZ ARG A 8 1.520 -7.102 10.293 1.00 0.00 C ATOM 127 NH1 ARG A 8 2.759 -7.495 10.554 1.00 0.00 N ATOM 128 NH2 ARG A 8 0.494 -7.812 10.745 1.00 0.00 N ATOM 0 H ARG A 8 0.985 -5.906 4.072 1.00 0.00 H new ATOM 0 HA ARG A 8 0.598 -3.421 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.207 -5.343 7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.760 -6.019 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.730 -3.721 7.496 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.186 -3.536 8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.185 -5.797 8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.783 -4.545 9.843 1.00 0.00 H new ATOM 0 HE ARG A 8 0.340 -5.728 9.396 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.550 -6.952 10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.921 -8.340 11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.461 -7.513 10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.660 -8.657 11.292 1.00 0.00 H new ATOM 142 N PHE A 9 2.996 -2.804 5.241 1.00 0.00 N ATOM 143 CA PHE A 9 4.323 -2.367 4.824 1.00 0.00 C ATOM 144 C PHE A 9 5.407 -3.064 5.641 1.00 0.00 C ATOM 145 O PHE A 9 5.261 -3.259 6.847 1.00 0.00 O ATOM 146 CB PHE A 9 4.453 -0.850 4.972 1.00 0.00 C ATOM 147 CG PHE A 9 3.422 -0.081 4.196 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.216 -0.337 2.850 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.658 0.896 4.813 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.268 0.369 2.134 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.708 1.606 4.102 1.00 0.00 C ATOM 152 CZ PHE A 9 1.512 1.341 2.761 1.00 0.00 C ATOM 0 H PHE A 9 2.456 -2.096 5.738 1.00 0.00 H new ATOM 0 HA PHE A 9 4.454 -2.635 3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.372 -0.588 6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.446 -0.545 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.803 -1.097 2.355 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.806 1.106 5.862 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.118 0.161 1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.120 2.366 4.595 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.769 1.892 2.203 1.00 0.00 H new ATOM 162 N GLY A 10 6.494 -3.438 4.974 1.00 0.00 N ATOM 163 CA GLY A 10 7.587 -4.109 5.654 1.00 0.00 C ATOM 164 C GLY A 10 8.824 -3.240 5.762 1.00 0.00 C ATOM 165 O GLY A 10 9.061 -2.612 6.793 1.00 0.00 O ATOM 0 H GLY A 10 6.638 -3.289 3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.264 -4.402 6.653 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.836 -5.025 5.118 1.00 0.00 H new ATOM 169 N ALA A 11 9.616 -3.205 4.695 1.00 0.00 N ATOM 170 CA ALA A 11 10.835 -2.407 4.674 1.00 0.00 C ATOM 171 C ALA A 11 10.785 -1.357 3.569 1.00 0.00 C ATOM 172 O ALA A 11 10.180 -1.558 2.516 1.00 0.00 O ATOM 173 CB ALA A 11 12.051 -3.304 4.497 1.00 0.00 C ATOM 0 H ALA A 11 9.435 -3.720 3.834 1.00 0.00 H new ATOM 0 HA ALA A 11 10.916 -1.888 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.954 -2.694 4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.104 -4.012 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.967 -3.849 3.557 1.00 0.00 H new ATOM 179 N PRO A 12 11.436 -0.210 3.812 1.00 0.00 N ATOM 180 CA PRO A 12 11.480 0.895 2.849 1.00 0.00 C ATOM 181 C PRO A 12 12.324 0.562 1.624 1.00 0.00 C ATOM 182 O PRO A 12 13.541 0.405 1.721 1.00 0.00 O ATOM 183 CB PRO A 12 12.119 2.035 3.646 1.00 0.00 C ATOM 184 CG PRO A 12 12.926 1.356 4.698 1.00 0.00 C ATOM 185 CD PRO A 12 12.178 0.098 5.046 1.00 0.00 C ATOM 0 HA PRO A 12 10.492 1.134 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.745 2.661 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.361 2.684 4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.928 1.127 4.334 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.043 1.995 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.856 -0.710 5.319 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.507 0.250 5.891 1.00 0.00 H new ATOM 193 N TYR A 13 11.671 0.456 0.472 1.00 0.00 N ATOM 194 CA TYR A 13 12.361 0.140 -0.772 1.00 0.00 C ATOM 195 C TYR A 13 13.542 1.081 -0.994 1.00 0.00 C ATOM 196 O TYR A 13 13.793 1.979 -0.191 1.00 0.00 O ATOM 197 CB TYR A 13 11.395 0.230 -1.954 1.00 0.00 C ATOM 198 CG TYR A 13 11.865 -0.520 -3.180 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.919 -1.908 -3.189 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.255 0.159 -4.327 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.348 -2.599 -4.306 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.685 -0.523 -5.449 1.00 0.00 C ATOM 203 CZ TYR A 13 12.730 -1.901 -5.434 1.00 0.00 C ATOM 204 OH TYR A 13 13.158 -2.584 -6.549 1.00 0.00 O ATOM 0 H TYR A 13 10.664 0.585 0.374 1.00 0.00 H new ATOM 0 HA TYR A 13 12.740 -0.879 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.424 -0.161 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.249 1.278 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.621 -2.456 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.222 1.238 -4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.384 -3.678 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.984 0.020 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 13 13.389 -1.945 -7.255 1.00 0.00 H new ATOM 214 N ALA A 14 14.263 0.866 -2.089 1.00 0.00 N ATOM 215 CA ALA A 14 15.416 1.695 -2.419 1.00 0.00 C ATOM 216 C ALA A 14 15.130 3.168 -2.146 1.00 0.00 C ATOM 217 O ALA A 14 13.976 3.567 -1.984 1.00 0.00 O ATOM 218 CB ALA A 14 15.811 1.494 -3.875 1.00 0.00 C ATOM 0 H ALA A 14 14.069 0.125 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 14 16.246 1.389 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.673 2.119 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.066 0.447 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.977 1.771 -4.520 1.00 0.00 H new ATOM 224 N LEU A 15 16.186 3.971 -2.095 1.00 0.00 N ATOM 225 CA LEU A 15 16.048 5.401 -1.840 1.00 0.00 C ATOM 226 C LEU A 15 14.952 6.007 -2.711 1.00 0.00 C ATOM 227 O LEU A 15 14.296 6.972 -2.321 1.00 0.00 O ATOM 228 CB LEU A 15 17.375 6.116 -2.100 1.00 0.00 C ATOM 229 CG LEU A 15 18.617 5.473 -1.479 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.865 6.259 -1.848 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.470 5.380 0.032 1.00 0.00 C ATOM 0 H LEU A 15 17.147 3.657 -2.227 1.00 0.00 H new ATOM 0 HA LEU A 15 15.770 5.533 -0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.525 6.181 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.294 7.137 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 15 18.718 4.463 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.738 5.787 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.979 6.273 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.774 7.281 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.362 4.920 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.344 6.380 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.598 4.773 0.276 1.00 0.00 H new ATOM 243 N LYS A 16 14.758 5.431 -3.893 1.00 0.00 N ATOM 244 CA LYS A 16 13.739 5.910 -4.820 1.00 0.00 C ATOM 245 C LYS A 16 12.512 6.414 -4.066 1.00 0.00 C ATOM 246 O LYS A 16 11.842 7.348 -4.506 1.00 0.00 O ATOM 247 CB LYS A 16 13.335 4.795 -5.787 1.00 0.00 C ATOM 248 CG LYS A 16 14.345 4.557 -6.896 1.00 0.00 C ATOM 249 CD LYS A 16 14.249 5.621 -7.976 1.00 0.00 C ATOM 250 CE LYS A 16 15.288 5.405 -9.066 1.00 0.00 C ATOM 251 NZ LYS A 16 16.676 5.553 -8.546 1.00 0.00 N ATOM 0 H LYS A 16 15.293 4.632 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 16 14.161 6.739 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.199 3.870 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.371 5.043 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.351 4.552 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.178 3.574 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.251 5.606 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.387 6.606 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.164 4.410 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.124 6.121 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.340 5.619 -9.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.741 6.416 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.918 4.728 -7.961 1.00 0.00 H new ATOM 265 N GLY A 17 12.225 5.790 -2.928 1.00 0.00 N ATOM 266 CA GLY A 17 11.079 6.191 -2.132 1.00 0.00 C ATOM 267 C GLY A 17 9.978 5.149 -2.136 1.00 0.00 C ATOM 268 O GLY A 17 8.842 5.436 -1.759 1.00 0.00 O ATOM 0 H GLY A 17 12.765 5.015 -2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.399 6.373 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.686 7.132 -2.515 1.00 0.00 H new ATOM 272 N GLY A 18 10.313 3.937 -2.567 1.00 0.00 N ATOM 273 CA GLY A 18 9.331 2.869 -2.613 1.00 0.00 C ATOM 274 C GLY A 18 9.171 2.171 -1.277 1.00 0.00 C ATOM 275 O GLY A 18 10.094 2.154 -0.462 1.00 0.00 O ATOM 0 H GLY A 18 11.246 3.675 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.369 3.277 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.627 2.140 -3.367 1.00 0.00 H new ATOM 279 N LEU A 19 7.996 1.594 -1.050 1.00 0.00 N ATOM 280 CA LEU A 19 7.716 0.893 0.198 1.00 0.00 C ATOM 281 C LEU A 19 7.235 -0.529 -0.073 1.00 0.00 C ATOM 282 O LEU A 19 6.254 -0.738 -0.787 1.00 0.00 O ATOM 283 CB LEU A 19 6.665 1.653 1.009 1.00 0.00 C ATOM 284 CG LEU A 19 7.173 2.855 1.805 1.00 0.00 C ATOM 285 CD1 LEU A 19 6.015 3.754 2.211 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.948 2.394 3.031 1.00 0.00 C ATOM 0 H LEU A 19 7.222 1.598 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 19 8.641 0.841 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.887 1.997 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.196 0.955 1.702 1.00 0.00 H new ATOM 0 HG LEU A 19 7.847 3.429 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.396 4.604 2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.502 4.112 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.316 3.190 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.302 3.263 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.297 1.797 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.801 1.792 2.717 1.00 0.00 H new ATOM 298 N ARG A 20 7.931 -1.504 0.503 1.00 0.00 N ATOM 299 CA ARG A 20 7.575 -2.906 0.325 1.00 0.00 C ATOM 300 C ARG A 20 6.218 -3.207 0.956 1.00 0.00 C ATOM 301 O ARG A 20 6.107 -3.353 2.174 1.00 0.00 O ATOM 302 CB ARG A 20 8.646 -3.809 0.938 1.00 0.00 C ATOM 303 CG ARG A 20 9.784 -4.137 -0.014 1.00 0.00 C ATOM 304 CD ARG A 20 10.865 -4.958 0.672 1.00 0.00 C ATOM 305 NE ARG A 20 11.736 -5.629 -0.289 1.00 0.00 N ATOM 306 CZ ARG A 20 12.724 -6.446 0.059 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.965 -6.692 1.339 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.473 -7.019 -0.875 1.00 0.00 N ATOM 0 H ARG A 20 8.745 -1.348 1.097 1.00 0.00 H new ATOM 0 HA ARG A 20 7.511 -3.105 -0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.054 -3.324 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.181 -4.738 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.396 -4.688 -0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.216 -3.213 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.463 -4.308 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.400 -5.701 1.320 1.00 0.00 H new ATOM 0 HE ARG A 20 11.577 -5.461 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.391 -6.254 2.059 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.724 -7.320 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.290 -6.832 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.231 -7.646 -0.607 1.00 0.00 H new ATOM 322 N PHE A 21 5.189 -3.298 0.120 1.00 0.00 N ATOM 323 CA PHE A 21 3.840 -3.579 0.596 1.00 0.00 C ATOM 324 C PHE A 21 3.449 -5.024 0.300 1.00 0.00 C ATOM 325 O PHE A 21 3.435 -5.450 -0.855 1.00 0.00 O ATOM 326 CB PHE A 21 2.837 -2.624 -0.054 1.00 0.00 C ATOM 327 CG PHE A 21 1.417 -3.107 0.018 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.675 -2.947 1.177 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.823 -3.720 -1.074 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.633 -3.390 1.246 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.484 -4.164 -1.011 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.213 -4.000 0.151 1.00 0.00 C ATOM 0 H PHE A 21 5.264 -3.181 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 21 3.825 -3.431 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.906 -1.651 0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.110 -2.479 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.123 -2.471 2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.388 -3.852 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.201 -3.259 2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.935 -4.639 -1.870 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.234 -4.348 0.203 1.00 0.00 H new ATOM 342 N ARG A 22 3.134 -5.773 1.352 1.00 0.00 N ATOM 343 CA ARG A 22 2.745 -7.170 1.206 1.00 0.00 C ATOM 344 C ARG A 22 1.251 -7.349 1.462 1.00 0.00 C ATOM 345 O ARG A 22 0.817 -7.459 2.608 1.00 0.00 O ATOM 346 CB ARG A 22 3.547 -8.048 2.168 1.00 0.00 C ATOM 347 CG ARG A 22 3.377 -9.538 1.918 1.00 0.00 C ATOM 348 CD ARG A 22 3.933 -10.363 3.069 1.00 0.00 C ATOM 349 NE ARG A 22 4.073 -11.772 2.714 1.00 0.00 N ATOM 350 CZ ARG A 22 5.012 -12.234 1.896 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.889 -11.402 1.351 1.00 0.00 N ATOM 352 NH2 ARG A 22 5.075 -13.531 1.622 1.00 0.00 N ATOM 0 H ARG A 22 3.141 -5.435 2.314 1.00 0.00 H new ATOM 0 HA ARG A 22 2.959 -7.475 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.603 -7.792 2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.244 -7.823 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.320 -9.767 1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.884 -9.813 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.904 -9.965 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.275 -10.270 3.933 1.00 0.00 H new ATOM 0 HE ARG A 22 3.414 -12.438 3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.844 -10.405 1.560 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.609 -11.759 0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.402 -14.174 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.796 -13.885 0.994 1.00 0.00 H new ATOM 366 N GLY A 23 0.470 -7.375 0.387 1.00 0.00 N ATOM 367 CA GLY A 23 -0.966 -7.539 0.517 1.00 0.00 C ATOM 368 C GLY A 23 -1.552 -8.410 -0.578 1.00 0.00 C ATOM 369 O GLY A 23 -0.851 -8.798 -1.511 1.00 0.00 O ATOM 0 H GLY A 23 0.806 -7.285 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.192 -7.980 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.444 -6.560 0.493 1.00 0.00 H new ATOM 373 N GLU A 24 -2.840 -8.717 -0.462 1.00 0.00 N ATOM 374 CA GLU A 24 -3.517 -9.550 -1.448 1.00 0.00 C ATOM 375 C GLU A 24 -3.281 -9.021 -2.860 1.00 0.00 C ATOM 376 O GLU A 24 -2.939 -7.856 -3.065 1.00 0.00 O ATOM 377 CB GLU A 24 -5.019 -9.604 -1.157 1.00 0.00 C ATOM 378 CG GLU A 24 -5.400 -10.649 -0.122 1.00 0.00 C ATOM 379 CD GLU A 24 -4.667 -11.962 -0.320 1.00 0.00 C ATOM 380 OE1 GLU A 24 -4.987 -12.679 -1.291 1.00 0.00 O ATOM 381 OE2 GLU A 24 -3.773 -12.271 0.495 1.00 0.00 O ATOM 0 H GLU A 24 -3.435 -8.402 0.304 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.104 -10.557 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.349 -8.625 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.553 -9.811 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.184 -10.263 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.474 -10.826 -0.169 1.00 0.00 H new ATOM 388 N PRO A 25 -3.466 -9.898 -3.858 1.00 0.00 N ATOM 389 CA PRO A 25 -3.278 -9.544 -5.268 1.00 0.00 C ATOM 390 C PRO A 25 -4.356 -8.591 -5.775 1.00 0.00 C ATOM 391 O PRO A 25 -4.207 -7.974 -6.830 1.00 0.00 O ATOM 392 CB PRO A 25 -3.375 -10.891 -5.989 1.00 0.00 C ATOM 393 CG PRO A 25 -4.199 -11.744 -5.087 1.00 0.00 C ATOM 394 CD PRO A 25 -3.873 -11.303 -3.687 1.00 0.00 C ATOM 0 HA PRO A 25 -2.335 -9.023 -5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.842 -10.783 -6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.388 -11.325 -6.152 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.261 -11.621 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.966 -12.799 -5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.735 -11.394 -3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.073 -11.903 -3.253 1.00 0.00 H new ATOM 402 N VAL A 26 -5.441 -8.475 -5.016 1.00 0.00 N ATOM 403 CA VAL A 26 -6.543 -7.595 -5.387 1.00 0.00 C ATOM 404 C VAL A 26 -6.118 -6.132 -5.338 1.00 0.00 C ATOM 405 O VAL A 26 -6.785 -5.261 -5.898 1.00 0.00 O ATOM 406 CB VAL A 26 -7.758 -7.797 -4.463 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.379 -7.529 -3.015 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.910 -6.903 -4.896 1.00 0.00 C ATOM 0 H VAL A 26 -5.580 -8.979 -4.140 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.825 -7.854 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.084 -8.834 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.251 -7.677 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.588 -8.215 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.026 -6.502 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.761 -7.058 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.599 -5.860 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.198 -7.150 -5.918 1.00 0.00 H new ATOM 418 N VAL A 27 -5.004 -5.867 -4.663 1.00 0.00 N ATOM 419 CA VAL A 27 -4.489 -4.508 -4.541 1.00 0.00 C ATOM 420 C VAL A 27 -4.099 -3.944 -5.903 1.00 0.00 C ATOM 421 O VAL A 27 -3.983 -2.730 -6.074 1.00 0.00 O ATOM 422 CB VAL A 27 -3.266 -4.453 -3.606 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.066 -5.125 -4.256 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.945 -3.014 -3.233 1.00 0.00 C ATOM 0 H VAL A 27 -4.441 -6.575 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.290 -3.903 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.505 -4.996 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.212 -5.076 -3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.303 -6.168 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.822 -4.613 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.078 -2.994 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.726 -2.444 -4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.800 -2.571 -2.723 1.00 0.00 H new ATOM 434 N LEU A 28 -3.898 -4.833 -6.870 1.00 0.00 N ATOM 435 CA LEU A 28 -3.521 -4.424 -8.218 1.00 0.00 C ATOM 436 C LEU A 28 -4.659 -3.666 -8.895 1.00 0.00 C ATOM 437 O LEU A 28 -4.493 -3.123 -9.988 1.00 0.00 O ATOM 438 CB LEU A 28 -3.140 -5.647 -9.055 1.00 0.00 C ATOM 439 CG LEU A 28 -2.017 -6.520 -8.493 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.593 -7.566 -9.513 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.830 -5.663 -8.080 1.00 0.00 C ATOM 0 H LEU A 28 -3.990 -5.841 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.660 -3.760 -8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.027 -6.267 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.846 -5.306 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.392 -7.035 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.793 -8.178 -9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.445 -8.200 -9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.237 -7.070 -10.416 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.041 -6.301 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.455 -5.119 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.143 -4.953 -7.314 1.00 0.00 H new ATOM 453 N HIS A 29 -5.813 -3.631 -8.238 1.00 0.00 N ATOM 454 CA HIS A 29 -6.978 -2.936 -8.775 1.00 0.00 C ATOM 455 C HIS A 29 -7.307 -1.701 -7.940 1.00 0.00 C ATOM 456 O HIS A 29 -8.223 -0.945 -8.266 1.00 0.00 O ATOM 457 CB HIS A 29 -8.184 -3.874 -8.815 1.00 0.00 C ATOM 458 CG HIS A 29 -8.113 -4.894 -9.910 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.762 -4.748 -11.118 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.463 -6.080 -9.974 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.515 -5.800 -11.877 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.729 -6.623 -11.207 1.00 0.00 N ATOM 0 H HIS A 29 -5.967 -4.075 -7.333 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.743 -2.615 -9.790 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.267 -4.387 -7.857 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.091 -3.282 -8.939 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.850 -6.517 -9.200 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.892 -5.960 -12.876 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.377 -7.517 -11.550 1.00 0.00 H new ATOM 470 N LEU A 30 -6.555 -1.504 -6.863 1.00 0.00 N ATOM 471 CA LEU A 30 -6.766 -0.362 -5.981 1.00 0.00 C ATOM 472 C LEU A 30 -5.959 0.845 -6.449 1.00 0.00 C ATOM 473 O LEU A 30 -4.767 0.733 -6.732 1.00 0.00 O ATOM 474 CB LEU A 30 -6.380 -0.722 -4.546 1.00 0.00 C ATOM 475 CG LEU A 30 -7.285 -1.734 -3.841 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.756 -2.046 -2.450 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.712 -1.212 -3.766 1.00 0.00 C ATOM 0 H LEU A 30 -5.793 -2.121 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.824 -0.102 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.364 -1.116 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.363 0.194 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.287 -2.656 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.413 -2.768 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.752 -2.464 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.723 -1.130 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.341 -1.945 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.728 -0.275 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.090 -1.041 -4.774 1.00 0.00 H new ATOM 489 N GLU A 31 -6.617 1.997 -6.527 1.00 0.00 N ATOM 490 CA GLU A 31 -5.959 3.225 -6.959 1.00 0.00 C ATOM 491 C GLU A 31 -5.263 3.911 -5.787 1.00 0.00 C ATOM 492 O GLU A 31 -4.143 4.405 -5.919 1.00 0.00 O ATOM 493 CB GLU A 31 -6.974 4.178 -7.593 1.00 0.00 C ATOM 494 CG GLU A 31 -6.386 5.054 -8.686 1.00 0.00 C ATOM 495 CD GLU A 31 -7.084 6.396 -8.797 1.00 0.00 C ATOM 496 OE1 GLU A 31 -8.273 6.416 -9.177 1.00 0.00 O ATOM 497 OE2 GLU A 31 -6.440 7.425 -8.505 1.00 0.00 O ATOM 0 H GLU A 31 -7.605 2.106 -6.297 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.206 2.961 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.796 3.595 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.396 4.815 -6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.327 5.215 -8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.455 4.533 -9.641 1.00 0.00 H new ATOM 504 N ARG A 32 -5.935 3.937 -4.641 1.00 0.00 N ATOM 505 CA ARG A 32 -5.382 4.564 -3.446 1.00 0.00 C ATOM 506 C ARG A 32 -5.406 3.598 -2.265 1.00 0.00 C ATOM 507 O ARG A 32 -5.981 2.512 -2.348 1.00 0.00 O ATOM 508 CB ARG A 32 -6.168 5.830 -3.098 1.00 0.00 C ATOM 509 CG ARG A 32 -7.592 5.557 -2.641 1.00 0.00 C ATOM 510 CD ARG A 32 -8.396 6.842 -2.527 1.00 0.00 C ATOM 511 NE ARG A 32 -8.554 7.505 -3.819 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.169 8.672 -3.975 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.682 9.301 -2.927 1.00 0.00 N ATOM 514 NH2 ARG A 32 -9.272 9.212 -5.183 1.00 0.00 N ATOM 0 H ARG A 32 -6.862 3.532 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.346 4.833 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.641 6.370 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.194 6.482 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.079 4.883 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.575 5.050 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.379 6.619 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.901 7.519 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.171 7.047 -4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.605 8.889 -1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.154 10.197 -3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.879 8.731 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.744 10.108 -5.302 1.00 0.00 H new ATOM 528 N VAL A 33 -4.776 3.999 -1.165 1.00 0.00 N ATOM 529 CA VAL A 33 -4.725 3.170 0.033 1.00 0.00 C ATOM 530 C VAL A 33 -4.881 4.014 1.293 1.00 0.00 C ATOM 531 O VAL A 33 -4.950 5.242 1.225 1.00 0.00 O ATOM 532 CB VAL A 33 -3.403 2.384 0.115 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.404 1.232 -0.878 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.219 3.307 -0.127 1.00 0.00 C ATOM 0 H VAL A 33 -4.294 4.894 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.554 2.466 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.310 1.967 1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.462 0.688 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.230 0.558 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.520 1.623 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.293 2.735 -0.065 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.303 3.755 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.211 4.093 0.628 1.00 0.00 H new ATOM 544 N TYR A 34 -4.936 3.349 2.441 1.00 0.00 N ATOM 545 CA TYR A 34 -5.085 4.038 3.717 1.00 0.00 C ATOM 546 C TYR A 34 -3.998 3.611 4.698 1.00 0.00 C ATOM 547 O TYR A 34 -3.873 2.432 5.030 1.00 0.00 O ATOM 548 CB TYR A 34 -6.465 3.756 4.314 1.00 0.00 C ATOM 549 CG TYR A 34 -6.640 4.294 5.716 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.953 5.426 6.138 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.493 3.672 6.619 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.109 5.921 7.418 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.657 4.160 7.901 1.00 0.00 C ATOM 554 CZ TYR A 34 -6.962 5.285 8.296 1.00 0.00 C ATOM 555 OH TYR A 34 -7.121 5.775 9.572 1.00 0.00 O ATOM 0 H TYR A 34 -4.880 2.333 2.514 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.985 5.108 3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.227 4.193 3.669 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.634 2.679 4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.285 5.927 5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.038 2.791 6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.566 6.801 7.730 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.325 3.664 8.590 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.757 5.213 10.062 1.00 0.00 H new ATOM 565 N VAL A 35 -3.212 4.579 5.159 1.00 0.00 N ATOM 566 CA VAL A 35 -2.135 4.305 6.103 1.00 0.00 C ATOM 567 C VAL A 35 -2.635 4.373 7.542 1.00 0.00 C ATOM 568 O VAL A 35 -2.706 5.449 8.134 1.00 0.00 O ATOM 569 CB VAL A 35 -0.970 5.297 5.929 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.204 4.903 6.812 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.548 5.372 4.469 1.00 0.00 C ATOM 0 H VAL A 35 -3.301 5.560 4.894 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.778 3.297 5.892 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.309 6.286 6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.017 5.616 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.109 4.906 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.546 3.905 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.276 6.078 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.227 4.386 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.391 5.706 3.863 1.00 0.00 H new ATOM 581 N GLU A 36 -2.981 3.216 8.098 1.00 0.00 N ATOM 582 CA GLU A 36 -3.475 3.144 9.468 1.00 0.00 C ATOM 583 C GLU A 36 -2.433 3.671 10.450 1.00 0.00 C ATOM 584 O GLU A 36 -1.494 2.964 10.815 1.00 0.00 O ATOM 585 CB GLU A 36 -3.846 1.704 9.825 1.00 0.00 C ATOM 586 CG GLU A 36 -4.193 1.511 11.292 1.00 0.00 C ATOM 587 CD GLU A 36 -5.669 1.713 11.574 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.337 2.405 10.777 1.00 0.00 O ATOM 589 OE2 GLU A 36 -6.157 1.179 12.592 1.00 0.00 O ATOM 0 H GLU A 36 -2.928 2.316 7.621 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.365 3.769 9.539 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.695 1.395 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.014 1.049 9.568 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.902 0.507 11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.613 2.211 11.894 1.00 0.00 H new ATOM 596 N GLY A 37 -2.605 4.919 10.874 1.00 0.00 N ATOM 597 CA GLY A 37 -1.672 5.521 11.809 1.00 0.00 C ATOM 598 C GLY A 37 -1.444 6.994 11.534 1.00 0.00 C ATOM 599 O GLY A 37 -1.324 7.795 12.462 1.00 0.00 O ATOM 0 H GLY A 37 -3.374 5.524 10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.050 5.398 12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.720 4.993 11.757 1.00 0.00 H new ATOM 603 N HIS A 38 -1.382 7.353 10.256 1.00 0.00 N ATOM 604 CA HIS A 38 -1.166 8.740 9.861 1.00 0.00 C ATOM 605 C HIS A 38 -2.357 9.273 9.072 1.00 0.00 C ATOM 606 O HIS A 38 -3.193 10.001 9.606 1.00 0.00 O ATOM 607 CB HIS A 38 0.110 8.862 9.026 1.00 0.00 C ATOM 608 CG HIS A 38 1.365 8.662 9.818 1.00 0.00 C ATOM 609 ND1 HIS A 38 1.600 7.938 10.937 1.00 0.00 N flip ATOM 610 CD2 HIS A 38 2.568 9.246 9.482 1.00 0.00 C flip ATOM 611 CE1 HIS A 38 2.927 8.096 11.253 1.00 0.00 C flip ATOM 612 NE2 HIS A 38 3.489 8.889 10.359 1.00 0.00 N flip ATOM 0 H HIS A 38 -1.478 6.703 9.476 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.057 9.337 10.767 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.078 8.129 8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.137 9.847 8.560 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.732 9.894 8.634 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.429 7.645 12.096 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.467 9.177 10.348 1.00 0.00 H new ATOM 620 N GLY A 39 -2.428 8.905 7.796 1.00 0.00 N ATOM 621 CA GLY A 39 -3.521 9.356 6.953 1.00 0.00 C ATOM 622 C GLY A 39 -3.684 8.504 5.711 1.00 0.00 C ATOM 623 O GLY A 39 -2.943 7.542 5.507 1.00 0.00 O ATOM 0 H GLY A 39 -1.749 8.303 7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.448 9.339 7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.346 10.391 6.660 1.00 0.00 H new ATOM 627 N TRP A 40 -4.658 8.854 4.879 1.00 0.00 N ATOM 628 CA TRP A 40 -4.919 8.113 3.650 1.00 0.00 C ATOM 629 C TRP A 40 -3.901 8.470 2.573 1.00 0.00 C ATOM 630 O TRP A 40 -3.766 9.634 2.196 1.00 0.00 O ATOM 631 CB TRP A 40 -6.334 8.399 3.148 1.00 0.00 C ATOM 632 CG TRP A 40 -7.374 7.509 3.761 1.00 0.00 C ATOM 633 CD1 TRP A 40 -7.886 7.597 5.024 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.025 6.397 3.138 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.816 6.607 5.224 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.921 5.857 4.082 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.941 5.806 1.875 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.724 4.755 3.800 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.738 4.712 1.597 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.620 4.196 2.555 1.00 0.00 C ATOM 0 H TRP A 40 -5.281 9.647 5.033 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.829 7.049 3.870 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.584 9.438 3.361 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.358 8.281 2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.601 8.337 5.758 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.343 6.454 6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.265 6.197 1.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.405 4.356 4.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.680 4.247 0.624 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.230 3.340 2.306 1.00 0.00 H new ATOM 651 N ARG A 41 -3.188 7.463 2.081 1.00 0.00 N ATOM 652 CA ARG A 41 -2.182 7.672 1.047 1.00 0.00 C ATOM 653 C ARG A 41 -2.606 7.019 -0.265 1.00 0.00 C ATOM 654 O ARG A 41 -3.186 5.934 -0.270 1.00 0.00 O ATOM 655 CB ARG A 41 -0.832 7.109 1.496 1.00 0.00 C ATOM 656 CG ARG A 41 -0.074 8.027 2.441 1.00 0.00 C ATOM 657 CD ARG A 41 0.513 9.222 1.705 1.00 0.00 C ATOM 658 NE ARG A 41 1.291 10.083 2.592 1.00 0.00 N ATOM 659 CZ ARG A 41 1.753 11.277 2.238 1.00 0.00 C ATOM 660 NH1 ARG A 41 1.516 11.749 1.022 1.00 0.00 N ATOM 661 NH2 ARG A 41 2.453 12.001 3.102 1.00 0.00 N ATOM 0 H ARG A 41 -3.288 6.494 2.382 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.084 8.745 0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.993 6.149 1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.217 6.918 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.744 8.376 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.726 7.469 2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.148 8.871 0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.292 9.801 1.253 1.00 0.00 H new ATOM 0 HE ARG A 41 1.490 9.749 3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.978 11.195 0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.872 12.666 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.637 11.641 4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.808 12.918 2.830 1.00 0.00 H new ATOM 675 N ALA A 42 -2.312 7.687 -1.376 1.00 0.00 N ATOM 676 CA ALA A 42 -2.661 7.171 -2.693 1.00 0.00 C ATOM 677 C ALA A 42 -1.465 6.491 -3.351 1.00 0.00 C ATOM 678 O ALA A 42 -0.315 6.831 -3.072 1.00 0.00 O ATOM 679 CB ALA A 42 -3.185 8.292 -3.578 1.00 0.00 C ATOM 0 H ALA A 42 -1.833 8.587 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.446 6.425 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.442 7.892 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.072 8.731 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.417 9.058 -3.688 1.00 0.00 H new ATOM 685 N ILE A 43 -1.744 5.529 -4.224 1.00 0.00 N ATOM 686 CA ILE A 43 -0.690 4.802 -4.922 1.00 0.00 C ATOM 687 C ILE A 43 -0.327 5.487 -6.235 1.00 0.00 C ATOM 688 O ILE A 43 -1.203 5.886 -7.001 1.00 0.00 O ATOM 689 CB ILE A 43 -1.106 3.348 -5.212 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.411 2.612 -3.905 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.013 2.629 -5.988 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.025 1.245 -4.111 1.00 0.00 C ATOM 0 H ILE A 43 -2.690 5.235 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 43 0.179 4.798 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.010 3.359 -5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.489 2.505 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.089 3.219 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.322 1.602 -6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.161 3.144 -6.933 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.906 2.625 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.214 0.782 -3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.964 1.346 -4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.339 0.621 -4.684 1.00 0.00 H new ATOM 704 N GLU A 44 0.971 5.617 -6.489 1.00 0.00 N ATOM 705 CA GLU A 44 1.450 6.252 -7.711 1.00 0.00 C ATOM 706 C GLU A 44 2.132 5.235 -8.622 1.00 0.00 C ATOM 707 O GLU A 44 1.998 5.293 -9.845 1.00 0.00 O ATOM 708 CB GLU A 44 2.422 7.385 -7.376 1.00 0.00 C ATOM 709 CG GLU A 44 1.781 8.530 -6.610 1.00 0.00 C ATOM 710 CD GLU A 44 2.488 9.852 -6.837 1.00 0.00 C ATOM 711 OE1 GLU A 44 2.120 10.565 -7.794 1.00 0.00 O ATOM 712 OE2 GLU A 44 3.409 10.174 -6.057 1.00 0.00 O ATOM 0 H GLU A 44 1.709 5.291 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 44 0.589 6.665 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.247 6.983 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.849 7.772 -8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.738 8.624 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.786 8.298 -5.545 1.00 0.00 H new ATOM 719 N ASP A 45 2.863 4.306 -8.018 1.00 0.00 N ATOM 720 CA ASP A 45 3.566 3.275 -8.773 1.00 0.00 C ATOM 721 C ASP A 45 3.857 2.061 -7.895 1.00 0.00 C ATOM 722 O ASP A 45 4.464 2.183 -6.830 1.00 0.00 O ATOM 723 CB ASP A 45 4.871 3.832 -9.344 1.00 0.00 C ATOM 724 CG ASP A 45 5.268 3.160 -10.643 1.00 0.00 C ATOM 725 OD1 ASP A 45 4.384 2.961 -11.502 1.00 0.00 O ATOM 726 OD2 ASP A 45 6.463 2.832 -10.802 1.00 0.00 O ATOM 0 H ASP A 45 2.985 4.245 -7.007 1.00 0.00 H new ATOM 0 HA ASP A 45 2.924 2.960 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.763 4.904 -9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.669 3.702 -8.613 1.00 0.00 H new ATOM 731 N LEU A 46 3.420 0.892 -8.348 1.00 0.00 N ATOM 732 CA LEU A 46 3.632 -0.345 -7.604 1.00 0.00 C ATOM 733 C LEU A 46 3.800 -1.529 -8.552 1.00 0.00 C ATOM 734 O LEU A 46 3.328 -1.499 -9.688 1.00 0.00 O ATOM 735 CB LEU A 46 2.461 -0.599 -6.654 1.00 0.00 C ATOM 736 CG LEU A 46 1.202 -1.195 -7.286 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.373 -2.690 -7.510 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.014 -0.921 -6.413 1.00 0.00 C ATOM 0 H LEU A 46 2.916 0.774 -9.227 1.00 0.00 H new ATOM 0 HA LEU A 46 4.547 -0.237 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.799 -1.269 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.193 0.345 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 46 1.045 -0.719 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.467 -3.096 -7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.219 -2.864 -8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.556 -3.182 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.900 -1.352 -6.878 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.135 -1.369 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.149 0.155 -6.304 1.00 0.00 H new ATOM 750 N TYR A 47 4.474 -2.570 -8.075 1.00 0.00 N ATOM 751 CA TYR A 47 4.704 -3.764 -8.880 1.00 0.00 C ATOM 752 C TYR A 47 5.189 -4.921 -8.011 1.00 0.00 C ATOM 753 O TYR A 47 5.958 -4.726 -7.071 1.00 0.00 O ATOM 754 CB TYR A 47 5.727 -3.474 -9.979 1.00 0.00 C ATOM 755 CG TYR A 47 6.833 -2.539 -9.546 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.784 -2.940 -8.615 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.929 -1.255 -10.069 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.796 -2.088 -8.216 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.938 -0.398 -9.676 1.00 0.00 C ATOM 760 CZ TYR A 47 8.869 -0.818 -8.749 1.00 0.00 C ATOM 761 OH TYR A 47 9.876 0.032 -8.355 1.00 0.00 O ATOM 0 H TYR A 47 4.870 -2.611 -7.136 1.00 0.00 H new ATOM 0 HA TYR A 47 3.758 -4.050 -9.340 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.167 -4.414 -10.311 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.213 -3.042 -10.837 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.731 -3.934 -8.196 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.202 -0.922 -10.795 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.526 -2.415 -7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.998 0.597 -10.093 1.00 0.00 H new ATOM 0 HH TYR A 47 9.785 0.887 -8.825 1.00 0.00 H new ATOM 771 N ARG A 48 4.732 -6.126 -8.334 1.00 0.00 N ATOM 772 CA ARG A 48 5.117 -7.316 -7.585 1.00 0.00 C ATOM 773 C ARG A 48 6.521 -7.772 -7.972 1.00 0.00 C ATOM 774 O ARG A 48 6.726 -8.341 -9.044 1.00 0.00 O ATOM 775 CB ARG A 48 4.116 -8.446 -7.830 1.00 0.00 C ATOM 776 CG ARG A 48 4.097 -8.941 -9.267 1.00 0.00 C ATOM 777 CD ARG A 48 2.800 -9.667 -9.589 1.00 0.00 C ATOM 778 NE ARG A 48 2.907 -10.465 -10.807 1.00 0.00 N ATOM 779 CZ ARG A 48 2.810 -9.956 -12.030 1.00 0.00 C ATOM 780 NH1 ARG A 48 2.604 -8.657 -12.197 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.918 -10.747 -13.090 1.00 0.00 N ATOM 0 H ARG A 48 4.094 -6.304 -9.110 1.00 0.00 H new ATOM 0 HA ARG A 48 5.115 -7.063 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.354 -9.280 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.118 -8.101 -7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.221 -8.097 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.941 -9.610 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.530 -10.314 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.996 -8.940 -9.702 1.00 0.00 H new ATOM 0 HE ARG A 48 3.065 -11.468 -10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.520 -8.045 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.530 -8.269 -13.137 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.076 -11.747 -12.966 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.843 -10.355 -14.029 1.00 0.00 H new ATOM 795 N VAL A 49 7.484 -7.517 -7.093 1.00 0.00 N ATOM 796 CA VAL A 49 8.868 -7.902 -7.342 1.00 0.00 C ATOM 797 C VAL A 49 9.130 -9.334 -6.891 1.00 0.00 C ATOM 798 O VAL A 49 9.295 -9.602 -5.702 1.00 0.00 O ATOM 799 CB VAL A 49 9.851 -6.960 -6.621 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.270 -7.502 -6.707 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.770 -5.558 -7.205 1.00 0.00 C ATOM 0 H VAL A 49 7.331 -7.045 -6.202 1.00 0.00 H new ATOM 0 HA VAL A 49 9.028 -7.828 -8.418 1.00 0.00 H new ATOM 0 HB VAL A 49 9.571 -6.907 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.950 -6.824 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.313 -8.485 -6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.564 -7.587 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.471 -4.906 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.023 -5.590 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.758 -5.172 -7.085 1.00 0.00 H new ATOM 811 N GLY A 50 9.168 -10.254 -7.851 1.00 0.00 N ATOM 812 CA GLY A 50 9.411 -11.649 -7.533 1.00 0.00 C ATOM 813 C GLY A 50 8.334 -12.236 -6.643 1.00 0.00 C ATOM 814 O GLY A 50 7.263 -12.609 -7.119 1.00 0.00 O ATOM 0 H GLY A 50 9.035 -10.058 -8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.468 -12.225 -8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.378 -11.743 -7.039 1.00 0.00 H new ATOM 818 N GLU A 51 8.621 -12.321 -5.347 1.00 0.00 N ATOM 819 CA GLU A 51 7.668 -12.871 -4.390 1.00 0.00 C ATOM 820 C GLU A 51 7.233 -11.809 -3.384 1.00 0.00 C ATOM 821 O GLU A 51 6.894 -12.122 -2.243 1.00 0.00 O ATOM 822 CB GLU A 51 8.281 -14.064 -3.654 1.00 0.00 C ATOM 823 CG GLU A 51 8.362 -15.324 -4.500 1.00 0.00 C ATOM 824 CD GLU A 51 9.284 -16.369 -3.903 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.517 -16.193 -3.991 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.772 -17.364 -3.347 1.00 0.00 O ATOM 0 H GLU A 51 9.504 -12.017 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 51 6.790 -13.206 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.283 -13.797 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.690 -14.273 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.364 -15.747 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.712 -15.064 -5.499 1.00 0.00 H new ATOM 833 N GLU A 52 7.246 -10.552 -3.817 1.00 0.00 N ATOM 834 CA GLU A 52 6.855 -9.443 -2.954 1.00 0.00 C ATOM 835 C GLU A 52 6.253 -8.304 -3.771 1.00 0.00 C ATOM 836 O GLU A 52 6.198 -8.368 -5.000 1.00 0.00 O ATOM 837 CB GLU A 52 8.060 -8.935 -2.161 1.00 0.00 C ATOM 838 CG GLU A 52 8.772 -10.022 -1.372 1.00 0.00 C ATOM 839 CD GLU A 52 9.712 -9.461 -0.323 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.244 -8.694 0.544 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.916 -9.789 -0.370 1.00 0.00 O ATOM 0 H GLU A 52 7.523 -10.276 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 52 6.099 -9.807 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.769 -8.474 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.730 -8.156 -1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.031 -10.658 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.335 -10.654 -2.058 1.00 0.00 H new ATOM 848 N LEU A 53 5.803 -7.262 -3.081 1.00 0.00 N ATOM 849 CA LEU A 53 5.205 -6.107 -3.742 1.00 0.00 C ATOM 850 C LEU A 53 5.750 -4.805 -3.163 1.00 0.00 C ATOM 851 O LEU A 53 5.933 -4.680 -1.952 1.00 0.00 O ATOM 852 CB LEU A 53 3.683 -6.144 -3.597 1.00 0.00 C ATOM 853 CG LEU A 53 2.916 -6.820 -4.734 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.650 -7.478 -4.208 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.582 -5.813 -5.825 1.00 0.00 C ATOM 0 H LEU A 53 5.841 -7.193 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 53 5.465 -6.150 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.439 -6.656 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.322 -5.120 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 53 3.551 -7.594 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.118 -7.954 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.913 -8.230 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.010 -6.723 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.036 -6.312 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.966 -5.016 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.504 -5.389 -6.223 1.00 0.00 H new ATOM 867 N VAL A 54 6.007 -3.837 -4.037 1.00 0.00 N ATOM 868 CA VAL A 54 6.528 -2.543 -3.613 1.00 0.00 C ATOM 869 C VAL A 54 5.619 -1.408 -4.070 1.00 0.00 C ATOM 870 O VAL A 54 5.625 -1.026 -5.240 1.00 0.00 O ATOM 871 CB VAL A 54 7.947 -2.303 -4.162 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.453 -0.929 -3.750 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.894 -3.394 -3.686 1.00 0.00 C ATOM 0 H VAL A 54 5.863 -3.925 -5.043 1.00 0.00 H new ATOM 0 HA VAL A 54 6.565 -2.558 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 54 7.908 -2.338 -5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.457 -0.777 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.787 -0.162 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.479 -0.862 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.892 -3.208 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.931 -3.394 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.538 -4.363 -4.036 1.00 0.00 H new ATOM 883 N VAL A 55 4.838 -0.871 -3.138 1.00 0.00 N ATOM 884 CA VAL A 55 3.924 0.223 -3.444 1.00 0.00 C ATOM 885 C VAL A 55 4.560 1.573 -3.136 1.00 0.00 C ATOM 886 O VAL A 55 5.177 1.756 -2.086 1.00 0.00 O ATOM 887 CB VAL A 55 2.609 0.094 -2.651 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.713 1.296 -2.904 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.894 -1.200 -3.012 1.00 0.00 C ATOM 0 H VAL A 55 4.820 -1.176 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 55 3.704 0.163 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 55 2.847 0.066 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.789 1.187 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.227 2.205 -2.591 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.480 1.359 -3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.967 -1.275 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.666 -1.205 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.535 -2.049 -2.774 1.00 0.00 H new ATOM 899 N HIS A 56 4.405 2.519 -4.057 1.00 0.00 N ATOM 900 CA HIS A 56 4.963 3.855 -3.884 1.00 0.00 C ATOM 901 C HIS A 56 3.862 4.871 -3.598 1.00 0.00 C ATOM 902 O HIS A 56 3.193 5.351 -4.514 1.00 0.00 O ATOM 903 CB HIS A 56 5.745 4.269 -5.131 1.00 0.00 C ATOM 904 CG HIS A 56 6.970 3.442 -5.372 1.00 0.00 C ATOM 905 ND1 HIS A 56 7.108 2.125 -5.651 1.00 0.00 N flip ATOM 906 CD2 HIS A 56 8.247 3.961 -5.338 1.00 0.00 C flip ATOM 907 CE1 HIS A 56 8.452 1.874 -5.780 1.00 0.00 C flip ATOM 908 NE2 HIS A 56 9.118 2.999 -5.587 1.00 0.00 N flip ATOM 0 H HIS A 56 3.897 2.385 -4.931 1.00 0.00 H new ATOM 0 HA HIS A 56 5.641 3.831 -3.031 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.091 4.197 -6.000 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.036 5.315 -5.037 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.354 1.445 -5.748 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.496 4.993 -5.139 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.893 0.914 -6.003 1.00 0.00 H new ATOM 916 N LEU A 57 3.678 5.194 -2.323 1.00 0.00 N ATOM 917 CA LEU A 57 2.657 6.153 -1.916 1.00 0.00 C ATOM 918 C LEU A 57 3.031 7.566 -2.354 1.00 0.00 C ATOM 919 O LEU A 57 4.209 7.918 -2.408 1.00 0.00 O ATOM 920 CB LEU A 57 2.465 6.111 -0.399 1.00 0.00 C ATOM 921 CG LEU A 57 2.225 4.729 0.209 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.254 4.801 1.728 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.900 4.157 -0.274 1.00 0.00 C ATOM 0 H LEU A 57 4.223 4.806 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 57 1.721 5.878 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.348 6.544 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.621 6.751 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 57 3.026 4.066 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.081 3.808 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.227 5.167 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.475 5.480 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.746 3.173 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.088 4.820 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.917 4.068 -1.360 1.00 0.00 H new ATOM 935 N ALA A 58 2.021 8.371 -2.663 1.00 0.00 N ATOM 936 CA ALA A 58 2.243 9.747 -3.091 1.00 0.00 C ATOM 937 C ALA A 58 2.883 10.571 -1.980 1.00 0.00 C ATOM 938 O ALA A 58 2.597 10.369 -0.800 1.00 0.00 O ATOM 939 CB ALA A 58 0.933 10.380 -3.534 1.00 0.00 C ATOM 0 H ALA A 58 1.040 8.094 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 58 2.930 9.732 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.114 11.407 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.517 9.812 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.227 10.376 -2.703 1.00 0.00 H new ATOM 945 N GLY A 59 3.752 11.502 -2.364 1.00 0.00 N ATOM 946 CA GLY A 59 4.419 12.342 -1.387 1.00 0.00 C ATOM 947 C GLY A 59 5.723 11.742 -0.901 1.00 0.00 C ATOM 948 O GLY A 59 6.701 12.457 -0.684 1.00 0.00 O ATOM 0 H GLY A 59 4.005 11.689 -3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.614 13.320 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.756 12.501 -0.536 1.00 0.00 H new ATOM 952 N VAL A 60 5.738 10.424 -0.726 1.00 0.00 N ATOM 953 CA VAL A 60 6.931 9.728 -0.261 1.00 0.00 C ATOM 954 C VAL A 60 7.955 9.585 -1.381 1.00 0.00 C ATOM 955 O VAL A 60 7.859 8.683 -2.215 1.00 0.00 O ATOM 956 CB VAL A 60 6.588 8.330 0.287 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.856 7.571 0.648 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.664 8.443 1.490 1.00 0.00 C ATOM 0 H VAL A 60 4.937 9.817 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 60 7.356 10.331 0.542 1.00 0.00 H new ATOM 0 HB VAL A 60 6.069 7.771 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.593 6.586 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.478 7.459 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.406 8.123 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.431 7.446 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.156 9.020 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.742 8.944 1.195 1.00 0.00 H new ATOM 968 N THR A 61 8.938 10.480 -1.396 1.00 0.00 N ATOM 969 CA THR A 61 9.981 10.454 -2.414 1.00 0.00 C ATOM 970 C THR A 61 11.366 10.396 -1.780 1.00 0.00 C ATOM 971 O THR A 61 12.345 10.863 -2.363 1.00 0.00 O ATOM 972 CB THR A 61 9.900 11.688 -3.332 1.00 0.00 C ATOM 973 OG1 THR A 61 10.068 12.884 -2.562 1.00 0.00 O ATOM 974 CG2 THR A 61 8.566 11.732 -4.063 1.00 0.00 C ATOM 0 H THR A 61 9.034 11.232 -0.714 1.00 0.00 H new ATOM 0 HA THR A 61 9.819 9.556 -3.010 1.00 0.00 H new ATOM 0 HB THR A 61 10.699 11.617 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.017 13.664 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.532 12.612 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.455 10.834 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.755 11.781 -3.337 1.00 0.00 H new ATOM 982 N ASP A 62 11.442 9.820 -0.586 1.00 0.00 N ATOM 983 CA ASP A 62 12.709 9.700 0.126 1.00 0.00 C ATOM 984 C ASP A 62 12.626 8.624 1.205 1.00 0.00 C ATOM 985 O ASP A 62 11.545 8.320 1.711 1.00 0.00 O ATOM 986 CB ASP A 62 13.096 11.040 0.753 1.00 0.00 C ATOM 987 CG ASP A 62 11.905 11.766 1.347 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.533 11.456 2.498 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.345 12.647 0.661 1.00 0.00 O ATOM 0 H ASP A 62 10.641 9.429 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 62 13.475 9.410 -0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.841 10.872 1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.562 11.671 -0.004 1.00 0.00 H new ATOM 994 N ARG A 63 13.774 8.051 1.552 1.00 0.00 N ATOM 995 CA ARG A 63 13.830 7.008 2.569 1.00 0.00 C ATOM 996 C ARG A 63 13.155 7.468 3.858 1.00 0.00 C ATOM 997 O ARG A 63 12.391 6.723 4.472 1.00 0.00 O ATOM 998 CB ARG A 63 15.283 6.620 2.852 1.00 0.00 C ATOM 999 CG ARG A 63 15.436 5.238 3.465 1.00 0.00 C ATOM 1000 CD ARG A 63 16.849 5.009 3.976 1.00 0.00 C ATOM 1001 NE ARG A 63 17.016 5.474 5.351 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.181 5.477 5.989 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.275 5.043 5.381 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.252 5.916 7.240 1.00 0.00 N ATOM 0 H ARG A 63 14.677 8.291 1.144 1.00 0.00 H new ATOM 0 HA ARG A 63 13.295 6.137 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.849 6.660 1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.723 7.357 3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.728 5.122 4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.189 4.480 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.087 3.947 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.557 5.528 3.329 1.00 0.00 H new ATOM 0 HE ARG A 63 16.193 5.815 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.224 4.705 4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.168 5.047 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.412 6.251 7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.147 5.918 7.730 1.00 0.00 H new ATOM 1018 N THR A 64 13.443 8.701 4.263 1.00 0.00 N ATOM 1019 CA THR A 64 12.866 9.260 5.479 1.00 0.00 C ATOM 1020 C THR A 64 11.347 9.125 5.479 1.00 0.00 C ATOM 1021 O THR A 64 10.775 8.438 6.326 1.00 0.00 O ATOM 1022 CB THR A 64 13.238 10.746 5.646 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.660 10.904 5.593 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.710 11.291 6.964 1.00 0.00 C ATOM 0 H THR A 64 14.073 9.331 3.766 1.00 0.00 H new ATOM 0 HA THR A 64 13.279 8.694 6.314 1.00 0.00 H new ATOM 0 HB THR A 64 12.781 11.306 4.831 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.888 11.851 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.985 12.341 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.624 11.196 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.142 10.726 7.790 1.00 0.00 H new ATOM 1032 N LEU A 65 10.699 9.784 4.525 1.00 0.00 N ATOM 1033 CA LEU A 65 9.245 9.736 4.415 1.00 0.00 C ATOM 1034 C LEU A 65 8.746 8.295 4.417 1.00 0.00 C ATOM 1035 O LEU A 65 7.827 7.947 5.158 1.00 0.00 O ATOM 1036 CB LEU A 65 8.788 10.445 3.139 1.00 0.00 C ATOM 1037 CG LEU A 65 8.742 11.973 3.199 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.488 12.554 1.817 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.675 12.436 4.180 1.00 0.00 C ATOM 0 H LEU A 65 11.157 10.358 3.817 1.00 0.00 H new ATOM 0 HA LEU A 65 8.822 10.248 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.454 10.153 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.793 10.081 2.882 1.00 0.00 H new ATOM 0 HG LEU A 65 9.709 12.333 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.459 13.642 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.288 12.251 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.535 12.186 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.656 13.525 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.701 12.065 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.902 12.050 5.174 1.00 0.00 H new ATOM 1051 N ALA A 66 9.359 7.461 3.583 1.00 0.00 N ATOM 1052 CA ALA A 66 8.979 6.057 3.491 1.00 0.00 C ATOM 1053 C ALA A 66 9.016 5.388 4.861 1.00 0.00 C ATOM 1054 O ALA A 66 8.056 4.734 5.268 1.00 0.00 O ATOM 1055 CB ALA A 66 9.894 5.325 2.520 1.00 0.00 C ATOM 0 H ALA A 66 10.121 7.734 2.962 1.00 0.00 H new ATOM 0 HA ALA A 66 7.956 6.007 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.599 4.277 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.816 5.780 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.924 5.392 2.870 1.00 0.00 H new ATOM 1061 N GLU A 67 10.131 5.555 5.567 1.00 0.00 N ATOM 1062 CA GLU A 67 10.292 4.965 6.890 1.00 0.00 C ATOM 1063 C GLU A 67 9.145 5.372 7.811 1.00 0.00 C ATOM 1064 O GLU A 67 8.641 4.562 8.588 1.00 0.00 O ATOM 1065 CB GLU A 67 11.628 5.389 7.503 1.00 0.00 C ATOM 1066 CG GLU A 67 12.780 4.461 7.154 1.00 0.00 C ATOM 1067 CD GLU A 67 13.875 4.471 8.202 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.361 5.571 8.541 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.247 3.380 8.683 1.00 0.00 O ATOM 0 H GLU A 67 10.935 6.094 5.244 1.00 0.00 H new ATOM 0 HA GLU A 67 10.279 3.881 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.869 6.397 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.523 5.432 8.587 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.401 3.445 7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.200 4.755 6.192 1.00 0.00 H new ATOM 1076 N ALA A 68 8.740 6.635 7.717 1.00 0.00 N ATOM 1077 CA ALA A 68 7.652 7.150 8.540 1.00 0.00 C ATOM 1078 C ALA A 68 6.399 6.295 8.392 1.00 0.00 C ATOM 1079 O ALA A 68 5.558 6.247 9.291 1.00 0.00 O ATOM 1080 CB ALA A 68 7.353 8.596 8.173 1.00 0.00 C ATOM 0 H ALA A 68 9.148 7.319 7.080 1.00 0.00 H new ATOM 0 HA ALA A 68 7.967 7.108 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.539 8.968 8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.242 9.204 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.063 8.653 7.124 1.00 0.00 H new ATOM 1086 N LEU A 69 6.278 5.622 7.253 1.00 0.00 N ATOM 1087 CA LEU A 69 5.126 4.768 6.987 1.00 0.00 C ATOM 1088 C LEU A 69 5.538 3.301 6.926 1.00 0.00 C ATOM 1089 O LEU A 69 4.955 2.512 6.181 1.00 0.00 O ATOM 1090 CB LEU A 69 4.456 5.177 5.674 1.00 0.00 C ATOM 1091 CG LEU A 69 4.049 6.646 5.557 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.699 6.990 4.118 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.877 6.950 6.480 1.00 0.00 C ATOM 0 H LEU A 69 6.964 5.651 6.499 1.00 0.00 H new ATOM 0 HA LEU A 69 4.416 4.893 7.804 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.135 4.943 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.566 4.562 5.536 1.00 0.00 H new ATOM 0 HG LEU A 69 4.895 7.263 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.412 8.040 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.565 6.811 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.869 6.366 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.601 8.000 6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.027 6.325 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.163 6.743 7.511 1.00 0.00 H new ATOM 1105 N VAL A 70 6.545 2.941 7.715 1.00 0.00 N ATOM 1106 CA VAL A 70 7.033 1.567 7.753 1.00 0.00 C ATOM 1107 C VAL A 70 6.631 0.877 9.052 1.00 0.00 C ATOM 1108 O VAL A 70 7.086 1.250 10.132 1.00 0.00 O ATOM 1109 CB VAL A 70 8.565 1.512 7.608 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.099 0.169 8.084 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.974 1.777 6.167 1.00 0.00 C ATOM 0 H VAL A 70 7.039 3.581 8.337 1.00 0.00 H new ATOM 0 HA VAL A 70 6.577 1.045 6.912 1.00 0.00 H new ATOM 0 HB VAL A 70 9.000 2.291 8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.183 0.149 7.974 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.838 0.025 9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.659 -0.630 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.060 1.734 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.530 1.022 5.518 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.626 2.765 5.866 1.00 0.00 H new ATOM 1121 N GLY A 71 5.774 -0.133 8.939 1.00 0.00 N ATOM 1122 CA GLY A 71 5.325 -0.860 10.111 1.00 0.00 C ATOM 1123 C GLY A 71 3.820 -0.813 10.281 1.00 0.00 C ATOM 1124 O GLY A 71 3.232 -1.684 10.926 1.00 0.00 O ATOM 0 H GLY A 71 5.383 -0.461 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.647 -1.899 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.801 -0.442 10.998 1.00 0.00 H new ATOM 1128 N LEU A 72 3.192 0.206 9.705 1.00 0.00 N ATOM 1129 CA LEU A 72 1.745 0.364 9.797 1.00 0.00 C ATOM 1130 C LEU A 72 1.030 -0.612 8.868 1.00 0.00 C ATOM 1131 O LEU A 72 1.637 -1.174 7.956 1.00 0.00 O ATOM 1132 CB LEU A 72 1.346 1.800 9.450 1.00 0.00 C ATOM 1133 CG LEU A 72 1.887 2.889 10.378 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.649 4.267 9.779 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.244 2.786 11.753 1.00 0.00 C ATOM 0 H LEU A 72 3.662 0.935 9.169 1.00 0.00 H new ATOM 0 HA LEU A 72 1.445 0.147 10.822 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.683 2.015 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.258 1.863 9.445 1.00 0.00 H new ATOM 0 HG LEU A 72 2.962 2.744 10.489 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.040 5.029 10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.156 4.338 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.579 4.422 9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.641 3.568 12.400 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.165 2.905 11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.465 1.810 12.186 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.263 -0.808 9.106 1.00 0.00 N ATOM 1148 CA ARG A 73 -1.061 -1.715 8.290 1.00 0.00 C ATOM 1149 C ARG A 73 -1.937 -0.939 7.311 1.00 0.00 C ATOM 1150 O ARG A 73 -2.610 0.019 7.690 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.934 -2.601 9.181 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.149 -3.375 10.227 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.995 -3.665 11.457 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.594 -4.903 12.119 1.00 0.00 N ATOM 1155 CZ ARG A 73 -1.926 -5.210 13.368 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -2.661 -4.373 14.087 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -1.522 -6.356 13.900 1.00 0.00 N ATOM 0 H ARG A 73 -0.780 -0.351 9.857 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.379 -2.345 7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.675 -1.979 9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.480 -3.306 8.554 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.795 -4.313 9.798 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.267 -2.804 10.517 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.910 -2.835 12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.044 -3.732 11.168 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.028 -5.569 11.593 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.973 -3.491 13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.914 -4.611 15.046 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.956 -7.002 13.350 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.777 -6.591 14.859 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.922 -1.360 6.050 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.714 -0.705 5.017 1.00 0.00 C ATOM 1173 C VAL A 74 -4.126 -1.279 4.960 1.00 0.00 C ATOM 1174 O VAL A 74 -4.321 -2.487 5.094 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.058 -0.847 3.631 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.903 -0.165 2.566 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.647 -0.277 3.649 1.00 0.00 C ATOM 0 H VAL A 74 -1.370 -2.152 5.720 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.764 0.352 5.280 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.995 -1.907 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.423 -0.276 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.891 -0.623 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.001 0.894 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.198 -0.386 2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.685 0.779 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.046 -0.816 4.382 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.106 -0.406 4.759 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.500 -0.826 4.686 1.00 0.00 C ATOM 1189 C TYR A 75 -7.104 -0.477 3.329 1.00 0.00 C ATOM 1190 O TYR A 75 -6.613 0.406 2.628 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.312 -0.168 5.803 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.058 -0.764 7.169 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.970 -0.360 7.933 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.906 -1.730 7.696 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.733 -0.903 9.181 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.678 -2.276 8.944 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.590 -1.860 9.682 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.358 -2.402 10.926 1.00 0.00 O ATOM 0 H TYR A 75 -4.961 0.597 4.644 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.534 -1.908 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.079 0.896 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.373 -0.256 5.569 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.298 0.391 7.545 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.758 -2.060 7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.881 -0.580 9.761 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.348 -3.025 9.340 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.054 -3.061 11.131 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.174 -1.177 2.967 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.848 -0.941 1.697 1.00 0.00 C ATOM 1210 C ALA A 76 -10.324 -0.623 1.909 1.00 0.00 C ATOM 1211 O ALA A 76 -10.866 -0.845 2.991 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.691 -2.148 0.784 1.00 0.00 C ATOM 0 H ALA A 76 -8.593 -1.913 3.536 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.383 -0.077 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.199 -1.958 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.632 -2.327 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.129 -3.025 1.261 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.968 -0.103 0.869 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.382 0.246 0.943 1.00 0.00 C ATOM 1220 C GLU A 77 -13.193 -0.549 -0.076 1.00 0.00 C ATOM 1221 O GLU A 77 -13.017 -0.394 -1.284 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.574 1.745 0.706 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.779 2.326 1.426 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.097 3.741 0.983 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.612 3.911 -0.141 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -13.829 4.680 1.763 1.00 0.00 O ATOM 0 H GLU A 77 -10.533 0.086 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.739 -0.005 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.678 2.273 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.679 1.924 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.646 1.690 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.594 2.318 2.500 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.084 -1.402 0.421 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.923 -2.222 -0.445 1.00 0.00 C ATOM 1235 C VAL A 78 -15.652 -1.365 -1.474 1.00 0.00 C ATOM 1236 O VAL A 78 -15.920 -1.811 -2.590 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.958 -3.020 0.369 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.715 -3.986 -0.531 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.280 -3.763 1.510 1.00 0.00 C ATOM 0 H VAL A 78 -14.243 -1.543 1.419 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.262 -2.919 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.676 -2.320 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.442 -4.541 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.233 -3.427 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.013 -4.682 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.026 -4.322 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.540 -4.453 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.788 -3.047 2.168 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.970 -0.133 -1.091 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.667 0.788 -1.981 1.00 0.00 C ATOM 1251 C ALA A 79 -15.971 0.874 -3.336 1.00 0.00 C ATOM 1252 O ALA A 79 -16.617 1.076 -4.364 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.761 2.167 -1.346 1.00 0.00 C ATOM 0 H ALA A 79 -15.756 0.251 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.675 0.405 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -17.284 2.844 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.309 2.098 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.758 2.548 -1.154 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.652 0.720 -3.328 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.868 0.780 -4.557 1.00 0.00 C ATOM 1261 C ASP A 80 -13.719 -0.606 -5.175 1.00 0.00 C ATOM 1262 O ASP A 80 -13.790 -0.765 -6.394 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.488 1.378 -4.278 1.00 0.00 C ATOM 1264 CG ASP A 80 -12.513 2.894 -4.231 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.830 3.449 -3.159 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -12.213 3.524 -5.267 1.00 0.00 O ATOM 0 H ASP A 80 -14.103 0.553 -2.485 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.396 1.419 -5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.114 0.994 -3.329 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.791 1.053 -5.050 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.512 -1.607 -4.327 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.352 -2.982 -4.790 1.00 0.00 C ATOM 1273 C LEU A 81 -14.507 -3.388 -5.699 1.00 0.00 C ATOM 1274 O LEU A 81 -15.649 -2.963 -5.521 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.267 -3.936 -3.597 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.014 -3.817 -2.730 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.110 -4.736 -1.522 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.769 -4.134 -3.546 1.00 0.00 C ATOM 0 H LEU A 81 -13.451 -1.493 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.426 -3.042 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.139 -3.773 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.331 -4.958 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.939 -2.790 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.209 -4.637 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.980 -4.462 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.210 -5.768 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.886 -4.044 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.836 -5.151 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.691 -3.434 -4.378 1.00 0.00 H new