USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=7 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot -87:sc= 0.749 USER MOD Set 1.3: A 56 HIS : no HE2:sc= -2.43 K(o=-1.7,f=-2.4) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 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= -1.4 K(o=-1.4,f=-0.0025) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.00646 USER MOD Single : A 75 TYR OH : rot 61:sc= 0.373 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.887 -0.998 6.010 1.00 0.00 N ATOM 43 CA LEU A 3 -12.505 -1.193 5.584 1.00 0.00 C ATOM 44 C LEU A 3 -12.032 -2.608 5.899 1.00 0.00 C ATOM 45 O LEU A 3 -12.595 -3.285 6.759 1.00 0.00 O ATOM 46 CB LEU A 3 -11.592 -0.174 6.268 1.00 0.00 C ATOM 47 CG LEU A 3 -11.917 1.298 6.011 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.154 2.190 6.978 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.596 1.672 4.572 1.00 0.00 C ATOM 0 HA LEU A 3 -12.459 -1.047 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.626 -0.350 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.567 -0.361 5.946 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.984 1.448 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.398 3.234 6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.433 1.940 8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.083 2.037 6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.834 2.723 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.536 1.505 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.188 1.056 3.895 1.00 0.00 H new ATOM 61 N VAL A 4 -10.992 -3.049 5.199 1.00 0.00 N ATOM 62 CA VAL A 4 -10.440 -4.382 5.406 1.00 0.00 C ATOM 63 C VAL A 4 -8.937 -4.401 5.153 1.00 0.00 C ATOM 64 O VAL A 4 -8.451 -3.792 4.201 1.00 0.00 O ATOM 65 CB VAL A 4 -11.117 -5.418 4.488 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.593 -5.552 4.830 1.00 0.00 C ATOM 67 CG2 VAL A 4 -10.932 -5.035 3.027 1.00 0.00 C ATOM 0 H VAL A 4 -10.514 -2.502 4.483 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.633 -4.646 6.446 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.643 -6.386 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.054 -6.288 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.699 -5.875 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.086 -4.589 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.416 -5.777 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.379 -4.057 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.868 -4.996 2.793 1.00 0.00 H new ATOM 77 N GLU A 5 -8.207 -5.104 6.013 1.00 0.00 N ATOM 78 CA GLU A 5 -6.758 -5.201 5.883 1.00 0.00 C ATOM 79 C GLU A 5 -6.376 -6.122 4.727 1.00 0.00 C ATOM 80 O GLU A 5 -6.771 -7.287 4.692 1.00 0.00 O ATOM 81 CB GLU A 5 -6.140 -5.715 7.185 1.00 0.00 C ATOM 82 CG GLU A 5 -4.639 -5.939 7.099 1.00 0.00 C ATOM 83 CD GLU A 5 -4.130 -6.891 8.164 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.778 -7.935 8.385 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.084 -6.591 8.777 1.00 0.00 O ATOM 0 H GLU A 5 -8.595 -5.614 6.806 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.370 -4.204 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.347 -5.001 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.624 -6.652 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.390 -6.335 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.126 -4.982 7.197 1.00 0.00 H new ATOM 92 N ILE A 6 -5.606 -5.589 3.784 1.00 0.00 N ATOM 93 CA ILE A 6 -5.170 -6.363 2.628 1.00 0.00 C ATOM 94 C ILE A 6 -3.678 -6.667 2.701 1.00 0.00 C ATOM 95 O ILE A 6 -3.237 -7.755 2.334 1.00 0.00 O ATOM 96 CB ILE A 6 -5.468 -5.622 1.311 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.985 -4.172 1.395 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.956 -5.673 0.999 1.00 0.00 C ATOM 99 CD1 ILE A 6 -5.046 -3.438 0.074 1.00 0.00 C ATOM 0 H ILE A 6 -5.272 -4.625 3.798 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.730 -7.298 2.644 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.930 -6.118 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.591 -3.638 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.958 -4.160 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.150 -5.145 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.272 -6.712 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.514 -5.199 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.689 -2.417 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.418 -3.949 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.075 -3.418 -0.284 1.00 0.00 H new ATOM 111 N GLY A 7 -2.904 -5.697 3.178 1.00 0.00 N ATOM 112 CA GLY A 7 -1.469 -5.881 3.292 1.00 0.00 C ATOM 113 C GLY A 7 -0.843 -4.943 4.306 1.00 0.00 C ATOM 114 O GLY A 7 -1.509 -4.049 4.828 1.00 0.00 O ATOM 0 H GLY A 7 -3.245 -4.787 3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.259 -6.912 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.007 -5.720 2.318 1.00 0.00 H new ATOM 118 N ARG A 8 0.440 -5.148 4.586 1.00 0.00 N ATOM 119 CA ARG A 8 1.155 -4.316 5.546 1.00 0.00 C ATOM 120 C ARG A 8 2.534 -3.936 5.015 1.00 0.00 C ATOM 121 O ARG A 8 3.151 -4.691 4.262 1.00 0.00 O ATOM 122 CB ARG A 8 1.295 -5.047 6.882 1.00 0.00 C ATOM 123 CG ARG A 8 1.905 -4.194 7.982 1.00 0.00 C ATOM 124 CD ARG A 8 2.341 -5.041 9.167 1.00 0.00 C ATOM 125 NE ARG A 8 2.326 -4.284 10.416 1.00 0.00 N ATOM 126 CZ ARG A 8 2.576 -4.822 11.605 1.00 0.00 C ATOM 127 NH1 ARG A 8 2.860 -6.113 11.705 1.00 0.00 N ATOM 128 NH2 ARG A 8 2.543 -4.067 12.696 1.00 0.00 N ATOM 0 H ARG A 8 1.005 -5.883 4.162 1.00 0.00 H new ATOM 0 HA ARG A 8 0.579 -3.403 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.312 -5.390 7.203 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.911 -5.934 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.763 -3.649 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.179 -3.451 8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.681 -5.904 9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.345 -5.425 8.988 1.00 0.00 H new ATOM 0 HE ARG A 8 2.112 -3.288 10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.887 -6.696 10.868 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.052 -6.524 12.619 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.326 -3.073 12.622 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.735 -4.481 13.608 1.00 0.00 H new ATOM 142 N PHE A 9 3.013 -2.762 5.412 1.00 0.00 N ATOM 143 CA PHE A 9 4.318 -2.281 4.975 1.00 0.00 C ATOM 144 C PHE A 9 5.440 -3.016 5.703 1.00 0.00 C ATOM 145 O PHE A 9 5.378 -3.222 6.914 1.00 0.00 O ATOM 146 CB PHE A 9 4.438 -0.775 5.218 1.00 0.00 C ATOM 147 CG PHE A 9 3.515 0.046 4.365 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.443 -0.166 2.997 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.717 1.028 4.930 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.594 0.589 2.209 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.866 1.785 4.147 1.00 0.00 C ATOM 152 CZ PHE A 9 1.804 1.564 2.785 1.00 0.00 C ATOM 0 H PHE A 9 2.517 -2.126 6.036 1.00 0.00 H new ATOM 0 HA PHE A 9 4.411 -2.478 3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.231 -0.567 6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.466 -0.465 5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.057 -0.929 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.761 1.204 5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.549 0.416 1.144 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.250 2.548 4.600 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.138 2.153 2.171 1.00 0.00 H new ATOM 162 N GLY A 10 6.466 -3.409 4.954 1.00 0.00 N ATOM 163 CA GLY A 10 7.587 -4.118 5.544 1.00 0.00 C ATOM 164 C GLY A 10 8.816 -3.242 5.686 1.00 0.00 C ATOM 165 O GLY A 10 9.038 -2.639 6.736 1.00 0.00 O ATOM 0 H GLY A 10 6.541 -3.249 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.298 -4.496 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.831 -4.984 4.928 1.00 0.00 H new ATOM 169 N ALA A 11 9.617 -3.173 4.629 1.00 0.00 N ATOM 170 CA ALA A 11 10.830 -2.365 4.641 1.00 0.00 C ATOM 171 C ALA A 11 10.785 -1.291 3.559 1.00 0.00 C ATOM 172 O ALA A 11 10.146 -1.450 2.519 1.00 0.00 O ATOM 173 CB ALA A 11 12.055 -3.249 4.459 1.00 0.00 C ATOM 0 H ALA A 11 9.448 -3.667 3.753 1.00 0.00 H new ATOM 0 HA ALA A 11 10.895 -1.867 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.954 -2.632 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.103 -3.975 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.987 -3.774 3.506 1.00 0.00 H new ATOM 179 N PRO A 12 11.477 -0.170 3.808 1.00 0.00 N ATOM 180 CA PRO A 12 11.531 0.953 2.867 1.00 0.00 C ATOM 181 C PRO A 12 12.333 0.620 1.613 1.00 0.00 C ATOM 182 O PRO A 12 13.539 0.383 1.680 1.00 0.00 O ATOM 183 CB PRO A 12 12.227 2.055 3.669 1.00 0.00 C ATOM 184 CG PRO A 12 13.039 1.329 4.686 1.00 0.00 C ATOM 185 CD PRO A 12 12.261 0.089 5.028 1.00 0.00 C ATOM 0 HA PRO A 12 10.541 1.230 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.856 2.674 3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.503 2.719 4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.023 1.076 4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.199 1.946 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.920 -0.746 5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.617 0.245 5.894 1.00 0.00 H new ATOM 193 N TYR A 13 11.655 0.604 0.471 1.00 0.00 N ATOM 194 CA TYR A 13 12.304 0.298 -0.799 1.00 0.00 C ATOM 195 C TYR A 13 13.481 1.236 -1.049 1.00 0.00 C ATOM 196 O TYR A 13 13.750 2.137 -0.255 1.00 0.00 O ATOM 197 CB TYR A 13 11.300 0.403 -1.947 1.00 0.00 C ATOM 198 CG TYR A 13 11.739 -0.316 -3.203 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.718 -1.704 -3.276 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.175 0.392 -4.316 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.119 -2.365 -4.421 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.577 -0.261 -5.466 1.00 0.00 C ATOM 203 CZ TYR A 13 12.547 -1.639 -5.513 1.00 0.00 C ATOM 204 OH TYR A 13 12.947 -2.293 -6.656 1.00 0.00 O ATOM 0 H TYR A 13 10.657 0.799 0.398 1.00 0.00 H new ATOM 0 HA TYR A 13 12.682 -0.723 -0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.343 -0.005 -1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.135 1.455 -2.179 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.383 -2.275 -2.423 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.200 1.471 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.097 -3.444 -4.461 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.913 0.305 -6.323 1.00 0.00 H new ATOM 0 HH TYR A 13 13.217 -1.636 -7.331 1.00 0.00 H new ATOM 214 N ALA A 14 14.177 1.018 -2.160 1.00 0.00 N ATOM 215 CA ALA A 14 15.322 1.845 -2.518 1.00 0.00 C ATOM 216 C ALA A 14 15.045 3.318 -2.237 1.00 0.00 C ATOM 217 O ALA A 14 13.896 3.720 -2.052 1.00 0.00 O ATOM 218 CB ALA A 14 15.681 1.644 -3.983 1.00 0.00 C ATOM 0 H ALA A 14 13.968 0.276 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 14 16.167 1.537 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.538 2.268 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.930 0.597 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.832 1.923 -4.607 1.00 0.00 H new ATOM 224 N LEU A 15 16.105 4.119 -2.206 1.00 0.00 N ATOM 225 CA LEU A 15 15.976 5.549 -1.947 1.00 0.00 C ATOM 226 C LEU A 15 14.865 6.158 -2.796 1.00 0.00 C ATOM 227 O LEU A 15 14.298 7.194 -2.447 1.00 0.00 O ATOM 228 CB LEU A 15 17.300 6.260 -2.232 1.00 0.00 C ATOM 229 CG LEU A 15 18.551 5.612 -1.639 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.794 6.398 -2.028 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.433 5.512 -0.126 1.00 0.00 C ATOM 0 H LEU A 15 17.063 3.803 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 15 15.719 5.681 -0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.428 6.328 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.230 7.280 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 15 18.642 4.604 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.675 5.922 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.887 6.418 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.712 7.418 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.332 5.048 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.317 6.510 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.565 4.906 0.132 1.00 0.00 H new ATOM 243 N LYS A 16 14.556 5.507 -3.913 1.00 0.00 N ATOM 244 CA LYS A 16 13.510 5.981 -4.811 1.00 0.00 C ATOM 245 C LYS A 16 12.287 6.446 -4.026 1.00 0.00 C ATOM 246 O LYS A 16 11.510 7.272 -4.501 1.00 0.00 O ATOM 247 CB LYS A 16 13.110 4.876 -5.791 1.00 0.00 C ATOM 248 CG LYS A 16 14.084 4.703 -6.943 1.00 0.00 C ATOM 249 CD LYS A 16 13.383 4.204 -8.196 1.00 0.00 C ATOM 250 CE LYS A 16 12.962 2.749 -8.057 1.00 0.00 C ATOM 251 NZ LYS A 16 12.369 2.221 -9.317 1.00 0.00 N ATOM 0 H LYS A 16 15.016 4.649 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 16 13.905 6.829 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.030 3.933 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.121 5.098 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.573 5.654 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.865 3.999 -6.657 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.506 4.820 -8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.048 4.311 -9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.827 2.145 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.238 2.656 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.095 1.227 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.529 2.781 -9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.069 2.286 -10.084 1.00 0.00 H new ATOM 265 N GLY A 17 12.125 5.909 -2.820 1.00 0.00 N ATOM 266 CA GLY A 17 10.996 6.282 -1.988 1.00 0.00 C ATOM 267 C GLY A 17 9.896 5.239 -2.003 1.00 0.00 C ATOM 268 O GLY A 17 8.774 5.504 -1.571 1.00 0.00 O ATOM 0 H GLY A 17 12.755 5.223 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.337 6.431 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.594 7.235 -2.332 1.00 0.00 H new ATOM 272 N GLY A 18 10.216 4.050 -2.503 1.00 0.00 N ATOM 273 CA GLY A 18 9.235 2.982 -2.565 1.00 0.00 C ATOM 274 C GLY A 18 9.067 2.272 -1.236 1.00 0.00 C ATOM 275 O GLY A 18 9.995 2.224 -0.428 1.00 0.00 O ATOM 0 H GLY A 18 11.137 3.807 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.275 3.392 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.536 2.260 -3.324 1.00 0.00 H new ATOM 279 N LEU A 19 7.881 1.719 -1.009 1.00 0.00 N ATOM 280 CA LEU A 19 7.593 1.008 0.232 1.00 0.00 C ATOM 281 C LEU A 19 7.111 -0.411 -0.052 1.00 0.00 C ATOM 282 O LEU A 19 6.116 -0.611 -0.748 1.00 0.00 O ATOM 283 CB LEU A 19 6.539 1.764 1.044 1.00 0.00 C ATOM 284 CG LEU A 19 7.036 2.989 1.813 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.870 3.885 2.200 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.817 2.563 3.048 1.00 0.00 C ATOM 0 H LEU A 19 7.103 1.749 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 19 8.515 0.950 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.747 2.082 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.091 1.070 1.755 1.00 0.00 H new ATOM 0 HG LEU A 19 7.703 3.556 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.243 4.751 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.353 4.218 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.177 3.328 2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.163 3.448 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.173 1.973 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.675 1.963 2.747 1.00 0.00 H new ATOM 298 N ARG A 20 7.823 -1.392 0.493 1.00 0.00 N ATOM 299 CA ARG A 20 7.467 -2.792 0.299 1.00 0.00 C ATOM 300 C ARG A 20 6.117 -3.104 0.937 1.00 0.00 C ATOM 301 O ARG A 20 6.012 -3.241 2.156 1.00 0.00 O ATOM 302 CB ARG A 20 8.546 -3.701 0.891 1.00 0.00 C ATOM 303 CG ARG A 20 9.713 -3.954 -0.049 1.00 0.00 C ATOM 304 CD ARG A 20 10.984 -4.284 0.718 1.00 0.00 C ATOM 305 NE ARG A 20 11.869 -5.164 -0.041 1.00 0.00 N ATOM 306 CZ ARG A 20 13.046 -5.586 0.406 1.00 0.00 C ATOM 307 NH1 ARG A 20 13.478 -5.212 1.602 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.794 -6.386 -0.344 1.00 0.00 N ATOM 0 H ARG A 20 8.649 -1.243 1.072 1.00 0.00 H new ATOM 0 HA ARG A 20 7.393 -2.977 -0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.922 -3.253 1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.096 -4.656 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.468 -4.776 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.879 -3.074 -0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.511 -3.361 0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.724 -4.760 1.663 1.00 0.00 H new ATOM 0 HE ARG A 20 11.566 -5.471 -0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.906 -4.598 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.383 -5.538 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.465 -6.677 -1.264 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.698 -6.710 0.000 1.00 0.00 H new ATOM 322 N PHE A 21 5.086 -3.214 0.106 1.00 0.00 N ATOM 323 CA PHE A 21 3.742 -3.507 0.589 1.00 0.00 C ATOM 324 C PHE A 21 3.360 -4.953 0.288 1.00 0.00 C ATOM 325 O PHE A 21 3.343 -5.374 -0.869 1.00 0.00 O ATOM 326 CB PHE A 21 2.728 -2.556 -0.050 1.00 0.00 C ATOM 327 CG PHE A 21 1.312 -3.050 0.027 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.578 -2.911 1.194 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.714 -3.652 -1.068 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.725 -3.364 1.268 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.590 -4.107 -1.000 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.310 -3.964 0.170 1.00 0.00 C ATOM 0 H PHE A 21 5.156 -3.105 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 21 3.732 -3.364 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.793 -1.585 0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.995 -2.403 -1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.030 -2.443 2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.273 -3.767 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.286 -3.249 2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.045 -4.574 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.328 -4.320 0.226 1.00 0.00 H new ATOM 342 N ARG A 22 3.054 -5.709 1.337 1.00 0.00 N ATOM 343 CA ARG A 22 2.673 -7.108 1.186 1.00 0.00 C ATOM 344 C ARG A 22 1.177 -7.294 1.424 1.00 0.00 C ATOM 345 O ARG A 22 0.729 -7.405 2.564 1.00 0.00 O ATOM 346 CB ARG A 22 3.467 -7.983 2.158 1.00 0.00 C ATOM 347 CG ARG A 22 3.538 -9.444 1.744 1.00 0.00 C ATOM 348 CD ARG A 22 4.732 -9.709 0.840 1.00 0.00 C ATOM 349 NE ARG A 22 5.098 -11.123 0.817 1.00 0.00 N ATOM 350 CZ ARG A 22 4.346 -12.068 0.262 1.00 0.00 C ATOM 351 NH1 ARG A 22 3.195 -11.750 -0.313 1.00 0.00 N ATOM 352 NH2 ARG A 22 4.747 -13.332 0.282 1.00 0.00 N ATOM 0 H ARG A 22 3.062 -5.376 2.301 1.00 0.00 H new ATOM 0 HA ARG A 22 2.901 -7.412 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.480 -7.589 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.014 -7.916 3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.606 -10.072 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.620 -9.722 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.501 -9.378 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.583 -9.120 1.181 1.00 0.00 H new ATOM 0 HE ARG A 22 5.979 -11.400 1.251 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.885 -10.778 -0.330 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.619 -12.477 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.633 -13.579 0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.170 -14.057 -0.144 1.00 0.00 H new ATOM 366 N GLY A 23 0.410 -7.325 0.338 1.00 0.00 N ATOM 367 CA GLY A 23 -1.027 -7.497 0.450 1.00 0.00 C ATOM 368 C GLY A 23 -1.594 -8.372 -0.650 1.00 0.00 C ATOM 369 O GLY A 23 -0.881 -8.753 -1.578 1.00 0.00 O ATOM 0 H GLY A 23 0.758 -7.234 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.263 -7.938 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.510 -6.520 0.419 1.00 0.00 H new ATOM 373 N GLU A 24 -2.880 -8.692 -0.546 1.00 0.00 N ATOM 374 CA GLU A 24 -3.540 -9.530 -1.539 1.00 0.00 C ATOM 375 C GLU A 24 -3.255 -9.028 -2.952 1.00 0.00 C ATOM 376 O GLU A 24 -2.902 -7.868 -3.166 1.00 0.00 O ATOM 377 CB GLU A 24 -5.050 -9.559 -1.292 1.00 0.00 C ATOM 378 CG GLU A 24 -5.473 -10.546 -0.217 1.00 0.00 C ATOM 379 CD GLU A 24 -4.727 -11.863 -0.309 1.00 0.00 C ATOM 380 OE1 GLU A 24 -3.590 -11.939 0.200 1.00 0.00 O ATOM 381 OE2 GLU A 24 -5.282 -12.819 -0.891 1.00 0.00 O ATOM 0 H GLU A 24 -3.485 -8.384 0.215 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.143 -10.541 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.382 -8.561 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.557 -9.810 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.302 -10.104 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.544 -10.732 -0.301 1.00 0.00 H new ATOM 388 N PRO A 25 -3.409 -9.922 -3.940 1.00 0.00 N ATOM 389 CA PRO A 25 -3.173 -9.593 -5.348 1.00 0.00 C ATOM 390 C PRO A 25 -4.229 -8.647 -5.908 1.00 0.00 C ATOM 391 O PRO A 25 -4.043 -8.050 -6.969 1.00 0.00 O ATOM 392 CB PRO A 25 -3.249 -10.953 -6.048 1.00 0.00 C ATOM 393 CG PRO A 25 -4.106 -11.788 -5.160 1.00 0.00 C ATOM 394 CD PRO A 25 -3.826 -11.322 -3.757 1.00 0.00 C ATOM 0 HA PRO A 25 -2.224 -9.076 -5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.682 -10.862 -7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.259 -11.392 -6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.160 -11.667 -5.408 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.871 -12.846 -5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.710 -11.399 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.044 -11.916 -3.285 1.00 0.00 H new ATOM 402 N VAL A 26 -5.338 -8.512 -5.187 1.00 0.00 N ATOM 403 CA VAL A 26 -6.423 -7.636 -5.611 1.00 0.00 C ATOM 404 C VAL A 26 -5.995 -6.173 -5.576 1.00 0.00 C ATOM 405 O VAL A 26 -6.675 -5.303 -6.119 1.00 0.00 O ATOM 406 CB VAL A 26 -7.669 -7.816 -4.724 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.456 -7.165 -3.366 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.900 -7.244 -5.411 1.00 0.00 C ATOM 0 H VAL A 26 -5.508 -8.998 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.672 -7.914 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.831 -8.883 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.347 -7.302 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.601 -7.626 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.268 -6.100 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.771 -7.380 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.751 -6.181 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.062 -7.761 -6.357 1.00 0.00 H new ATOM 418 N VAL A 27 -4.861 -5.910 -4.934 1.00 0.00 N ATOM 419 CA VAL A 27 -4.340 -4.552 -4.829 1.00 0.00 C ATOM 420 C VAL A 27 -3.948 -4.007 -6.197 1.00 0.00 C ATOM 421 O VAL A 27 -3.781 -2.799 -6.372 1.00 0.00 O ATOM 422 CB VAL A 27 -3.117 -4.492 -3.895 1.00 0.00 C ATOM 423 CG1 VAL A 27 -1.911 -5.147 -4.550 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.810 -3.051 -3.513 1.00 0.00 C ATOM 0 H VAL A 27 -4.286 -6.619 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.138 -3.938 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.349 -5.044 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.057 -5.095 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.138 -6.191 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.673 -4.626 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.943 -3.026 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.597 -2.473 -4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.669 -2.620 -3.000 1.00 0.00 H new ATOM 434 N LEU A 28 -3.803 -4.904 -7.166 1.00 0.00 N ATOM 435 CA LEU A 28 -3.431 -4.513 -8.522 1.00 0.00 C ATOM 436 C LEU A 28 -4.587 -3.805 -9.221 1.00 0.00 C ATOM 437 O LEU A 28 -4.428 -3.267 -10.317 1.00 0.00 O ATOM 438 CB LEU A 28 -3.007 -5.741 -9.329 1.00 0.00 C ATOM 439 CG LEU A 28 -1.881 -6.583 -8.728 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.448 -7.668 -9.702 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.700 -5.702 -8.348 1.00 0.00 C ATOM 0 H LEU A 28 -3.937 -5.907 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.592 -3.821 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.879 -6.381 -9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.697 -5.410 -10.320 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.255 -7.063 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.646 -8.257 -9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.295 -8.317 -9.924 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.092 -7.208 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.092 -6.318 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.325 -5.193 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.019 -4.963 -7.613 1.00 0.00 H new ATOM 453 N HIS A 29 -5.751 -3.807 -8.579 1.00 0.00 N ATOM 454 CA HIS A 29 -6.934 -3.162 -9.138 1.00 0.00 C ATOM 455 C HIS A 29 -7.314 -1.927 -8.327 1.00 0.00 C ATOM 456 O HIS A 29 -8.212 -1.174 -8.707 1.00 0.00 O ATOM 457 CB HIS A 29 -8.106 -4.143 -9.174 1.00 0.00 C ATOM 458 CG HIS A 29 -8.007 -5.155 -10.274 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.479 -4.928 -11.550 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.484 -6.403 -10.285 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.253 -5.994 -12.297 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.649 -6.903 -11.553 1.00 0.00 N ATOM 0 H HIS A 29 -5.900 -4.248 -7.671 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.700 -2.849 -10.156 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.164 -4.663 -8.218 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.034 -3.583 -9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.023 -6.911 -9.451 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.517 -6.104 -13.338 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.353 -7.827 -11.869 1.00 0.00 H new ATOM 470 N LEU A 30 -6.627 -1.726 -7.208 1.00 0.00 N ATOM 471 CA LEU A 30 -6.893 -0.582 -6.342 1.00 0.00 C ATOM 472 C LEU A 30 -6.297 0.694 -6.928 1.00 0.00 C ATOM 473 O LEU A 30 -5.625 0.661 -7.958 1.00 0.00 O ATOM 474 CB LEU A 30 -6.321 -0.831 -4.945 1.00 0.00 C ATOM 475 CG LEU A 30 -7.120 -1.779 -4.052 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.335 -2.116 -2.793 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.467 -1.167 -3.694 1.00 0.00 C ATOM 0 H LEU A 30 -5.882 -2.340 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.973 -0.456 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.312 -1.230 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.232 0.128 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.298 -2.702 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.920 -2.792 -2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.396 -2.597 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.126 -1.201 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.022 -1.856 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.310 -0.228 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.034 -0.978 -4.605 1.00 0.00 H new ATOM 489 N GLU A 31 -6.548 1.818 -6.263 1.00 0.00 N ATOM 490 CA GLU A 31 -6.036 3.105 -6.718 1.00 0.00 C ATOM 491 C GLU A 31 -5.363 3.858 -5.574 1.00 0.00 C ATOM 492 O GLU A 31 -4.290 4.438 -5.744 1.00 0.00 O ATOM 493 CB GLU A 31 -7.167 3.951 -7.304 1.00 0.00 C ATOM 494 CG GLU A 31 -7.546 3.563 -8.723 1.00 0.00 C ATOM 495 CD GLU A 31 -8.202 4.699 -9.484 1.00 0.00 C ATOM 496 OE1 GLU A 31 -9.378 5.004 -9.195 1.00 0.00 O ATOM 497 OE2 GLU A 31 -7.540 5.282 -10.368 1.00 0.00 O ATOM 0 H GLU A 31 -7.102 1.863 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.293 2.918 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.045 3.861 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.869 5.000 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.653 3.240 -9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.225 2.711 -8.693 1.00 0.00 H new ATOM 504 N ARG A 32 -6.000 3.843 -4.408 1.00 0.00 N ATOM 505 CA ARG A 32 -5.465 4.526 -3.236 1.00 0.00 C ATOM 506 C ARG A 32 -5.265 3.548 -2.082 1.00 0.00 C ATOM 507 O ARG A 32 -5.597 2.367 -2.190 1.00 0.00 O ATOM 508 CB ARG A 32 -6.402 5.655 -2.805 1.00 0.00 C ATOM 509 CG ARG A 32 -7.673 5.167 -2.128 1.00 0.00 C ATOM 510 CD ARG A 32 -8.497 6.326 -1.589 1.00 0.00 C ATOM 511 NE ARG A 32 -9.029 7.165 -2.660 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.828 8.205 -2.452 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.187 8.533 -1.218 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.271 8.919 -3.478 1.00 0.00 N ATOM 0 H ARG A 32 -6.887 3.365 -4.249 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.497 4.949 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.869 6.318 -2.123 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.671 6.247 -3.680 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.269 4.595 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.416 4.492 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.321 5.937 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.879 6.932 -0.926 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.772 6.939 -3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.849 7.986 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.801 9.332 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.998 8.670 -4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.885 9.718 -3.316 1.00 0.00 H new ATOM 528 N VAL A 33 -4.720 4.048 -0.977 1.00 0.00 N ATOM 529 CA VAL A 33 -4.476 3.219 0.197 1.00 0.00 C ATOM 530 C VAL A 33 -4.623 4.028 1.481 1.00 0.00 C ATOM 531 O VAL A 33 -4.418 5.242 1.489 1.00 0.00 O ATOM 532 CB VAL A 33 -3.070 2.590 0.158 1.00 0.00 C ATOM 533 CG1 VAL A 33 -2.915 1.705 -1.069 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.002 3.673 0.184 1.00 0.00 C ATOM 0 H VAL A 33 -4.439 5.023 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.222 2.424 0.184 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.944 1.967 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.916 1.269 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.658 0.908 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.060 2.302 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.015 3.211 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.123 4.324 -0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.102 4.261 1.097 1.00 0.00 H new ATOM 544 N TYR A 34 -4.979 3.348 2.565 1.00 0.00 N ATOM 545 CA TYR A 34 -5.156 4.003 3.855 1.00 0.00 C ATOM 546 C TYR A 34 -4.047 3.607 4.825 1.00 0.00 C ATOM 547 O TYR A 34 -3.882 2.431 5.150 1.00 0.00 O ATOM 548 CB TYR A 34 -6.520 3.647 4.449 1.00 0.00 C ATOM 549 CG TYR A 34 -6.746 4.218 5.831 1.00 0.00 C ATOM 550 CD1 TYR A 34 -6.109 5.384 6.236 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.599 3.591 6.732 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.312 5.908 7.497 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.809 4.109 7.995 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.163 5.267 8.373 1.00 0.00 C ATOM 555 OH TYR A 34 -7.370 5.787 9.630 1.00 0.00 O ATOM 0 H TYR A 34 -5.151 2.343 2.576 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.106 5.080 3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.303 4.009 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.616 2.562 4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.443 5.890 5.552 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.106 2.683 6.439 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.807 6.815 7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.476 3.610 8.683 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.997 5.216 10.121 1.00 0.00 H new ATOM 565 N VAL A 35 -3.289 4.597 5.284 1.00 0.00 N ATOM 566 CA VAL A 35 -2.196 4.354 6.218 1.00 0.00 C ATOM 567 C VAL A 35 -2.689 4.381 7.660 1.00 0.00 C ATOM 568 O VAL A 35 -2.797 5.445 8.268 1.00 0.00 O ATOM 569 CB VAL A 35 -1.073 5.394 6.051 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.124 5.032 6.917 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.667 5.510 4.589 1.00 0.00 C ATOM 0 H VAL A 35 -3.412 5.576 5.024 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.800 3.364 5.991 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.449 6.363 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.907 5.779 6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.179 5.005 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.503 4.053 6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.128 6.249 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.310 4.544 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.527 5.820 3.996 1.00 0.00 H new ATOM 581 N GLU A 36 -2.986 3.204 8.201 1.00 0.00 N ATOM 582 CA GLU A 36 -3.468 3.094 9.573 1.00 0.00 C ATOM 583 C GLU A 36 -2.439 3.643 10.557 1.00 0.00 C ATOM 584 O GLU A 36 -1.473 2.965 10.905 1.00 0.00 O ATOM 585 CB GLU A 36 -3.785 1.636 9.910 1.00 0.00 C ATOM 586 CG GLU A 36 -4.144 1.413 11.370 1.00 0.00 C ATOM 587 CD GLU A 36 -5.631 1.551 11.633 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.220 2.563 11.197 1.00 0.00 O ATOM 589 OE2 GLU A 36 -6.206 0.647 12.274 1.00 0.00 O ATOM 0 H GLU A 36 -2.901 2.314 7.711 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.379 3.686 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.612 1.299 9.286 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.923 1.018 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.816 0.419 11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.602 2.129 11.987 1.00 0.00 H new ATOM 596 N GLY A 37 -2.653 4.878 11.001 1.00 0.00 N ATOM 597 CA GLY A 37 -1.737 5.498 11.940 1.00 0.00 C ATOM 598 C GLY A 37 -1.565 6.983 11.687 1.00 0.00 C ATOM 599 O GLY A 37 -1.487 7.775 12.627 1.00 0.00 O ATOM 0 H GLY A 37 -3.445 5.460 10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.104 5.346 12.955 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.766 5.006 11.874 1.00 0.00 H new ATOM 603 N HIS A 38 -1.503 7.362 10.415 1.00 0.00 N ATOM 604 CA HIS A 38 -1.338 8.762 10.041 1.00 0.00 C ATOM 605 C HIS A 38 -2.555 9.267 9.273 1.00 0.00 C ATOM 606 O HIS A 38 -3.414 9.950 9.831 1.00 0.00 O ATOM 607 CB HIS A 38 -0.077 8.940 9.195 1.00 0.00 C ATOM 608 CG HIS A 38 1.193 8.735 9.962 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.383 9.344 9.625 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.454 7.983 11.057 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.322 8.975 10.478 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.784 8.149 11.357 1.00 0.00 N ATOM 0 H HIS A 38 -1.565 6.719 9.625 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.239 9.347 10.955 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.106 8.237 8.362 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.075 9.942 8.767 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.748 7.367 11.594 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.354 9.294 10.460 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.276 7.706 12.133 1.00 0.00 H new ATOM 620 N GLY A 39 -2.623 8.926 7.990 1.00 0.00 N ATOM 621 CA GLY A 39 -3.739 9.355 7.166 1.00 0.00 C ATOM 622 C GLY A 39 -3.877 8.529 5.902 1.00 0.00 C ATOM 623 O GLY A 39 -3.102 7.601 5.672 1.00 0.00 O ATOM 0 H GLY A 39 -1.926 8.360 7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.661 9.286 7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.608 10.404 6.899 1.00 0.00 H new ATOM 627 N TRP A 40 -4.866 8.866 5.083 1.00 0.00 N ATOM 628 CA TRP A 40 -5.105 8.147 3.837 1.00 0.00 C ATOM 629 C TRP A 40 -4.119 8.585 2.759 1.00 0.00 C ATOM 630 O TRP A 40 -3.954 9.778 2.504 1.00 0.00 O ATOM 631 CB TRP A 40 -6.539 8.378 3.357 1.00 0.00 C ATOM 632 CG TRP A 40 -7.529 7.436 3.972 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.095 7.536 5.211 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.069 6.251 3.377 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.954 6.484 5.422 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.956 5.682 4.312 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.890 5.616 2.145 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.660 4.509 4.051 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.590 4.452 1.889 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.466 3.909 2.837 1.00 0.00 C ATOM 0 H TRP A 40 -5.516 9.633 5.259 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.960 7.083 4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.831 9.403 3.587 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.573 8.273 2.273 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.897 8.326 5.921 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.501 6.326 6.268 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.217 6.027 1.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.335 4.088 4.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.459 3.952 0.941 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.999 2.999 2.605 1.00 0.00 H new ATOM 651 N ARG A 41 -3.466 7.613 2.130 1.00 0.00 N ATOM 652 CA ARG A 41 -2.495 7.899 1.081 1.00 0.00 C ATOM 653 C ARG A 41 -2.994 7.399 -0.272 1.00 0.00 C ATOM 654 O ARG A 41 -4.012 6.712 -0.354 1.00 0.00 O ATOM 655 CB ARG A 41 -1.149 7.252 1.411 1.00 0.00 C ATOM 656 CG ARG A 41 -0.345 8.017 2.450 1.00 0.00 C ATOM 657 CD ARG A 41 0.220 9.308 1.878 1.00 0.00 C ATOM 658 NE ARG A 41 0.403 10.328 2.907 1.00 0.00 N ATOM 659 CZ ARG A 41 0.900 11.535 2.664 1.00 0.00 C ATOM 660 NH1 ARG A 41 1.261 11.872 1.433 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.037 12.409 3.653 1.00 0.00 N ATOM 0 H ARG A 41 -3.592 6.621 2.329 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.366 8.980 1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.321 6.238 1.772 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.561 7.170 0.497 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.979 8.244 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.470 7.391 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.176 9.103 1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.451 9.687 1.107 1.00 0.00 H new ATOM 0 HE ARG A 41 0.134 10.101 3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.157 11.203 0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.642 12.800 1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.760 12.154 4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.419 13.336 3.465 1.00 0.00 H new ATOM 675 N ALA A 42 -2.270 7.750 -1.330 1.00 0.00 N ATOM 676 CA ALA A 42 -2.638 7.335 -2.678 1.00 0.00 C ATOM 677 C ALA A 42 -1.510 6.550 -3.338 1.00 0.00 C ATOM 678 O ALA A 42 -0.347 6.675 -2.954 1.00 0.00 O ATOM 679 CB ALA A 42 -3.003 8.548 -3.522 1.00 0.00 C ATOM 0 H ALA A 42 -1.426 8.320 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.507 6.681 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.276 8.224 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.846 9.068 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.149 9.223 -3.578 1.00 0.00 H new ATOM 685 N ILE A 43 -1.861 5.740 -4.331 1.00 0.00 N ATOM 686 CA ILE A 43 -0.877 4.935 -5.044 1.00 0.00 C ATOM 687 C ILE A 43 -0.432 5.622 -6.331 1.00 0.00 C ATOM 688 O ILE A 43 -1.259 6.087 -7.115 1.00 0.00 O ATOM 689 CB ILE A 43 -1.432 3.540 -5.386 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.931 2.841 -4.119 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.368 2.700 -6.076 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.193 1.363 -4.307 1.00 0.00 C ATOM 0 H ILE A 43 -2.819 5.624 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.020 4.824 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.273 3.658 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.194 2.973 -3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.849 3.325 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.776 1.717 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.056 3.193 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.492 2.587 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.544 0.933 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.952 1.223 -5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.272 0.866 -4.612 1.00 0.00 H new ATOM 704 N GLU A 44 0.879 5.679 -6.542 1.00 0.00 N ATOM 705 CA GLU A 44 1.433 6.309 -7.735 1.00 0.00 C ATOM 706 C GLU A 44 2.029 5.264 -8.674 1.00 0.00 C ATOM 707 O GLU A 44 1.855 5.336 -9.891 1.00 0.00 O ATOM 708 CB GLU A 44 2.502 7.333 -7.349 1.00 0.00 C ATOM 709 CG GLU A 44 1.938 8.586 -6.701 1.00 0.00 C ATOM 710 CD GLU A 44 1.181 9.460 -7.682 1.00 0.00 C ATOM 711 OE1 GLU A 44 1.542 9.458 -8.878 1.00 0.00 O ATOM 712 OE2 GLU A 44 0.229 10.146 -7.255 1.00 0.00 O ATOM 0 H GLU A 44 1.577 5.297 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 44 0.623 6.820 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.209 6.866 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.061 7.616 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.273 8.301 -5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.753 9.161 -6.261 1.00 0.00 H new ATOM 719 N ASP A 45 2.734 4.295 -8.101 1.00 0.00 N ATOM 720 CA ASP A 45 3.356 3.235 -8.885 1.00 0.00 C ATOM 721 C ASP A 45 3.685 2.031 -8.007 1.00 0.00 C ATOM 722 O ASP A 45 4.382 2.156 -6.999 1.00 0.00 O ATOM 723 CB ASP A 45 4.627 3.751 -9.562 1.00 0.00 C ATOM 724 CG ASP A 45 4.353 4.353 -10.926 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.813 3.636 -11.794 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.678 5.542 -11.125 1.00 0.00 O ATOM 0 H ASP A 45 2.889 4.222 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 45 2.648 2.920 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.096 4.501 -8.925 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.338 2.931 -9.666 1.00 0.00 H new ATOM 731 N LEU A 46 3.180 0.866 -8.396 1.00 0.00 N ATOM 732 CA LEU A 46 3.418 -0.361 -7.645 1.00 0.00 C ATOM 733 C LEU A 46 3.626 -1.544 -8.585 1.00 0.00 C ATOM 734 O LEU A 46 3.200 -1.514 -9.740 1.00 0.00 O ATOM 735 CB LEU A 46 2.246 -0.642 -6.703 1.00 0.00 C ATOM 736 CG LEU A 46 1.011 -1.280 -7.341 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.215 -2.776 -7.519 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.226 -1.004 -6.499 1.00 0.00 C ATOM 0 H LEU A 46 2.603 0.745 -9.228 1.00 0.00 H new ATOM 0 HA LEU A 46 4.325 -0.226 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.596 -1.296 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.946 0.297 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 46 0.863 -0.835 -8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.326 -3.213 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.076 -2.952 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.389 -3.238 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.095 -1.465 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.088 -1.421 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.382 0.072 -6.424 1.00 0.00 H new ATOM 750 N TYR A 47 4.280 -2.585 -8.082 1.00 0.00 N ATOM 751 CA TYR A 47 4.544 -3.778 -8.877 1.00 0.00 C ATOM 752 C TYR A 47 5.052 -4.917 -7.998 1.00 0.00 C ATOM 753 O TYR A 47 5.826 -4.698 -7.066 1.00 0.00 O ATOM 754 CB TYR A 47 5.565 -3.471 -9.974 1.00 0.00 C ATOM 755 CG TYR A 47 6.619 -2.471 -9.556 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.554 -2.785 -8.578 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.682 -1.212 -10.142 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.519 -1.874 -8.192 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.644 -0.296 -9.764 1.00 0.00 C ATOM 760 CZ TYR A 47 8.560 -0.631 -8.789 1.00 0.00 C ATOM 761 OH TYR A 47 9.520 0.278 -8.409 1.00 0.00 O ATOM 0 H TYR A 47 4.637 -2.627 -7.127 1.00 0.00 H new ATOM 0 HA TYR A 47 3.607 -4.090 -9.339 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.054 -4.398 -10.274 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.041 -3.089 -10.850 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.526 -3.758 -8.111 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.966 -0.946 -10.906 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.237 -2.134 -7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.679 0.678 -10.230 1.00 0.00 H new ATOM 0 HH TYR A 47 9.196 0.795 -7.642 1.00 0.00 H new ATOM 771 N ARG A 48 4.611 -6.133 -8.304 1.00 0.00 N ATOM 772 CA ARG A 48 5.020 -7.307 -7.542 1.00 0.00 C ATOM 773 C ARG A 48 6.427 -7.747 -7.936 1.00 0.00 C ATOM 774 O ARG A 48 6.629 -8.352 -8.989 1.00 0.00 O ATOM 775 CB ARG A 48 4.034 -8.455 -7.766 1.00 0.00 C ATOM 776 CG ARG A 48 3.960 -8.922 -9.210 1.00 0.00 C ATOM 777 CD ARG A 48 2.702 -9.736 -9.469 1.00 0.00 C ATOM 778 NE ARG A 48 2.774 -11.062 -8.861 1.00 0.00 N ATOM 779 CZ ARG A 48 2.002 -12.080 -9.225 1.00 0.00 C ATOM 780 NH1 ARG A 48 1.105 -11.925 -10.189 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.127 -13.257 -8.625 1.00 0.00 N ATOM 0 H ARG A 48 3.971 -6.331 -9.073 1.00 0.00 H new ATOM 0 HA ARG A 48 5.023 -7.041 -6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.320 -9.297 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.042 -8.138 -7.444 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.979 -8.058 -9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.838 -9.523 -9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.837 -9.203 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.551 -9.838 -10.544 1.00 0.00 H new ATOM 0 HE ARG A 48 3.454 -11.215 -8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.006 -11.022 -10.653 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.514 -12.709 -10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.816 -13.381 -7.883 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.534 -14.038 -8.905 1.00 0.00 H new ATOM 795 N VAL A 49 7.399 -7.439 -7.082 1.00 0.00 N ATOM 796 CA VAL A 49 8.787 -7.803 -7.340 1.00 0.00 C ATOM 797 C VAL A 49 9.087 -9.212 -6.841 1.00 0.00 C ATOM 798 O VAL A 49 9.171 -9.451 -5.637 1.00 0.00 O ATOM 799 CB VAL A 49 9.760 -6.815 -6.669 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.194 -7.303 -6.804 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.603 -5.425 -7.268 1.00 0.00 C ATOM 0 H VAL A 49 7.250 -6.938 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 49 8.929 -7.765 -8.420 1.00 0.00 H new ATOM 0 HB VAL A 49 9.519 -6.759 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.867 -6.592 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.293 -8.277 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.451 -7.390 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.298 -4.739 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.817 -5.463 -8.336 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.582 -5.076 -7.115 1.00 0.00 H new ATOM 811 N GLY A 50 9.250 -10.143 -7.776 1.00 0.00 N ATOM 812 CA GLY A 50 9.540 -11.518 -7.412 1.00 0.00 C ATOM 813 C GLY A 50 8.464 -12.124 -6.533 1.00 0.00 C ATOM 814 O GLY A 50 7.370 -12.431 -7.003 1.00 0.00 O ATOM 0 H GLY A 50 9.186 -9.970 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.645 -12.116 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.496 -11.559 -6.891 1.00 0.00 H new ATOM 818 N GLU A 51 8.777 -12.297 -5.252 1.00 0.00 N ATOM 819 CA GLU A 51 7.829 -12.873 -4.306 1.00 0.00 C ATOM 820 C GLU A 51 7.351 -11.823 -3.307 1.00 0.00 C ATOM 821 O GLU A 51 6.979 -12.148 -2.180 1.00 0.00 O ATOM 822 CB GLU A 51 8.467 -14.048 -3.562 1.00 0.00 C ATOM 823 CG GLU A 51 8.705 -15.266 -4.438 1.00 0.00 C ATOM 824 CD GLU A 51 9.284 -16.435 -3.666 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.516 -16.460 -3.461 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.505 -17.326 -3.266 1.00 0.00 O ATOM 0 H GLU A 51 9.679 -12.047 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 51 6.967 -13.233 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.418 -13.725 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.825 -14.331 -2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.764 -15.569 -4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.383 -14.999 -5.249 1.00 0.00 H new ATOM 833 N GLU A 52 7.365 -10.562 -3.730 1.00 0.00 N ATOM 834 CA GLU A 52 6.935 -9.465 -2.872 1.00 0.00 C ATOM 835 C GLU A 52 6.325 -8.335 -3.698 1.00 0.00 C ATOM 836 O GLU A 52 6.295 -8.397 -4.928 1.00 0.00 O ATOM 837 CB GLU A 52 8.115 -8.934 -2.054 1.00 0.00 C ATOM 838 CG GLU A 52 8.772 -9.988 -1.180 1.00 0.00 C ATOM 839 CD GLU A 52 9.639 -9.386 -0.092 1.00 0.00 C ATOM 840 OE1 GLU A 52 10.549 -8.599 -0.427 1.00 0.00 O ATOM 841 OE2 GLU A 52 9.409 -9.700 1.094 1.00 0.00 O ATOM 0 H GLU A 52 7.669 -10.276 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 52 6.174 -9.847 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.861 -8.521 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.770 -8.115 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.001 -10.608 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.380 -10.644 -1.803 1.00 0.00 H new ATOM 848 N LEU A 53 5.841 -7.305 -3.013 1.00 0.00 N ATOM 849 CA LEU A 53 5.231 -6.161 -3.682 1.00 0.00 C ATOM 850 C LEU A 53 5.778 -4.850 -3.126 1.00 0.00 C ATOM 851 O LEU A 53 6.004 -4.720 -1.923 1.00 0.00 O ATOM 852 CB LEU A 53 3.711 -6.201 -3.521 1.00 0.00 C ATOM 853 CG LEU A 53 2.934 -6.888 -4.645 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.678 -7.548 -4.100 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.583 -5.890 -5.738 1.00 0.00 C ATOM 0 H LEU A 53 5.859 -7.238 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 53 5.479 -6.217 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.478 -6.707 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.348 -5.177 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 53 3.568 -7.662 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.138 -8.032 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.953 -8.294 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.040 -6.793 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.030 -6.396 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.969 -5.093 -5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.498 -5.464 -6.150 1.00 0.00 H new ATOM 867 N VAL A 54 5.988 -3.880 -4.011 1.00 0.00 N ATOM 868 CA VAL A 54 6.505 -2.578 -3.608 1.00 0.00 C ATOM 869 C VAL A 54 5.588 -1.453 -4.076 1.00 0.00 C ATOM 870 O VAL A 54 5.568 -1.105 -5.257 1.00 0.00 O ATOM 871 CB VAL A 54 7.920 -2.338 -4.168 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.462 -0.997 -3.696 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.852 -3.471 -3.764 1.00 0.00 C ATOM 0 H VAL A 54 5.808 -3.972 -5.011 1.00 0.00 H new ATOM 0 HA VAL A 54 6.548 -2.578 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 54 7.862 -2.316 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.462 -0.846 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.806 -0.198 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.507 -0.986 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.847 -3.285 -4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.906 -3.527 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.471 -4.413 -4.157 1.00 0.00 H new ATOM 883 N VAL A 55 4.830 -0.888 -3.142 1.00 0.00 N ATOM 884 CA VAL A 55 3.911 0.199 -3.458 1.00 0.00 C ATOM 885 C VAL A 55 4.553 1.556 -3.193 1.00 0.00 C ATOM 886 O VAL A 55 5.168 1.770 -2.148 1.00 0.00 O ATOM 887 CB VAL A 55 2.610 0.090 -2.640 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.799 1.371 -2.754 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.794 -1.111 -3.095 1.00 0.00 C ATOM 0 H VAL A 55 4.834 -1.165 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 55 3.673 0.114 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 55 2.871 -0.054 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.884 1.275 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.386 2.208 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.545 1.549 -3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.879 -1.173 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.541 -1.001 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.377 -2.021 -2.955 1.00 0.00 H new ATOM 899 N HIS A 56 4.405 2.471 -4.146 1.00 0.00 N ATOM 900 CA HIS A 56 4.970 3.809 -4.016 1.00 0.00 C ATOM 901 C HIS A 56 3.876 4.835 -3.735 1.00 0.00 C ATOM 902 O HIS A 56 3.160 5.260 -4.643 1.00 0.00 O ATOM 903 CB HIS A 56 5.729 4.191 -5.286 1.00 0.00 C ATOM 904 CG HIS A 56 6.949 3.356 -5.529 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.232 3.840 -5.389 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.075 2.062 -5.904 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.095 2.880 -5.668 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.419 1.790 -5.983 1.00 0.00 N ATOM 0 H HIS A 56 3.899 2.310 -5.017 1.00 0.00 H new ATOM 0 HA HIS A 56 5.664 3.804 -3.175 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.059 4.099 -6.141 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.023 5.239 -5.223 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.477 4.791 -5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.269 1.372 -6.104 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.171 2.971 -5.643 1.00 0.00 H new ATOM 916 N LEU A 57 3.751 5.229 -2.472 1.00 0.00 N ATOM 917 CA LEU A 57 2.744 6.205 -2.070 1.00 0.00 C ATOM 918 C LEU A 57 3.086 7.591 -2.606 1.00 0.00 C ATOM 919 O LEU A 57 4.248 7.895 -2.873 1.00 0.00 O ATOM 920 CB LEU A 57 2.627 6.248 -0.546 1.00 0.00 C ATOM 921 CG LEU A 57 2.397 4.906 0.149 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.534 5.054 1.656 1.00 0.00 C ATOM 923 CD2 LEU A 57 1.028 4.347 -0.212 1.00 0.00 C ATOM 0 H LEU A 57 4.335 4.887 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 57 1.787 5.899 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.539 6.691 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.806 6.915 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 57 3.157 4.205 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.367 4.088 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.536 5.409 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.798 5.771 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.881 3.391 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.254 5.047 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.967 4.202 -1.291 1.00 0.00 H new ATOM 935 N ALA A 58 2.066 8.429 -2.758 1.00 0.00 N ATOM 936 CA ALA A 58 2.259 9.785 -3.257 1.00 0.00 C ATOM 937 C ALA A 58 2.945 10.661 -2.215 1.00 0.00 C ATOM 938 O ALA A 58 2.502 10.745 -1.071 1.00 0.00 O ATOM 939 CB ALA A 58 0.924 10.393 -3.663 1.00 0.00 C ATOM 0 H ALA A 58 1.097 8.193 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 58 2.905 9.734 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.083 11.406 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.471 9.786 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.260 10.423 -2.799 1.00 0.00 H new ATOM 945 N GLY A 59 4.032 11.312 -2.619 1.00 0.00 N ATOM 946 CA GLY A 59 4.763 12.173 -1.707 1.00 0.00 C ATOM 947 C GLY A 59 6.049 11.538 -1.217 1.00 0.00 C ATOM 948 O GLY A 59 7.092 12.190 -1.165 1.00 0.00 O ATOM 0 H GLY A 59 4.419 11.259 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.993 13.114 -2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.131 12.412 -0.852 1.00 0.00 H new ATOM 952 N VAL A 60 5.976 10.261 -0.854 1.00 0.00 N ATOM 953 CA VAL A 60 7.144 9.538 -0.364 1.00 0.00 C ATOM 954 C VAL A 60 8.147 9.290 -1.485 1.00 0.00 C ATOM 955 O VAL A 60 7.973 8.385 -2.301 1.00 0.00 O ATOM 956 CB VAL A 60 6.745 8.187 0.261 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.969 7.475 0.817 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.698 8.391 1.345 1.00 0.00 C ATOM 0 H VAL A 60 5.121 9.706 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 60 7.606 10.162 0.401 1.00 0.00 H new ATOM 0 HB VAL A 60 6.311 7.559 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.669 6.523 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.682 7.296 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.434 8.095 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.428 7.427 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.103 9.036 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.812 8.856 0.912 1.00 0.00 H new ATOM 968 N THR A 61 9.200 10.102 -1.519 1.00 0.00 N ATOM 969 CA THR A 61 10.232 9.972 -2.540 1.00 0.00 C ATOM 970 C THR A 61 11.600 9.735 -1.911 1.00 0.00 C ATOM 971 O THR A 61 12.562 9.401 -2.603 1.00 0.00 O ATOM 972 CB THR A 61 10.300 11.226 -3.432 1.00 0.00 C ATOM 973 OG1 THR A 61 10.579 12.381 -2.633 1.00 0.00 O ATOM 974 CG2 THR A 61 8.993 11.427 -4.184 1.00 0.00 C ATOM 0 H THR A 61 9.360 10.856 -0.851 1.00 0.00 H new ATOM 0 HA THR A 61 9.963 9.112 -3.154 1.00 0.00 H new ATOM 0 HB THR A 61 11.101 11.085 -4.158 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.622 13.174 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.065 12.318 -4.807 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.798 10.559 -4.814 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.178 11.548 -3.471 1.00 0.00 H new ATOM 982 N ASP A 62 11.680 9.908 -0.596 1.00 0.00 N ATOM 983 CA ASP A 62 12.931 9.710 0.126 1.00 0.00 C ATOM 984 C ASP A 62 12.769 8.655 1.215 1.00 0.00 C ATOM 985 O ASP A 62 11.675 8.459 1.746 1.00 0.00 O ATOM 986 CB ASP A 62 13.402 11.029 0.742 1.00 0.00 C ATOM 987 CG ASP A 62 12.288 11.763 1.462 1.00 0.00 C ATOM 988 OD1 ASP A 62 12.083 11.498 2.665 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.621 12.602 0.822 1.00 0.00 O ATOM 0 H ASP A 62 10.893 10.185 -0.009 1.00 0.00 H new ATOM 0 HA ASP A 62 13.681 9.361 -0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.214 10.830 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.807 11.669 -0.042 1.00 0.00 H new ATOM 994 N ARG A 63 13.864 7.977 1.543 1.00 0.00 N ATOM 995 CA ARG A 63 13.843 6.939 2.567 1.00 0.00 C ATOM 996 C ARG A 63 13.072 7.407 3.799 1.00 0.00 C ATOM 997 O ARG A 63 12.067 6.808 4.180 1.00 0.00 O ATOM 998 CB ARG A 63 15.269 6.552 2.961 1.00 0.00 C ATOM 999 CG ARG A 63 15.368 5.193 3.634 1.00 0.00 C ATOM 1000 CD ARG A 63 16.732 4.560 3.413 1.00 0.00 C ATOM 1001 NE ARG A 63 16.948 3.407 4.283 1.00 0.00 N ATOM 1002 CZ ARG A 63 17.248 3.506 5.573 1.00 0.00 C ATOM 1003 NH1 ARG A 63 17.367 4.698 6.140 1.00 0.00 N ATOM 1004 NH2 ARG A 63 17.430 2.410 6.299 1.00 0.00 N ATOM 0 H ARG A 63 14.777 8.128 1.114 1.00 0.00 H new ATOM 0 HA ARG A 63 13.339 6.066 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.896 6.553 2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.670 7.311 3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.185 5.301 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.592 4.535 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.824 4.251 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.510 5.302 3.595 1.00 0.00 H new ATOM 0 HE ARG A 63 16.864 2.475 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.228 5.543 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.597 4.771 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.340 1.491 5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.660 2.487 7.290 1.00 0.00 H new ATOM 1018 N THR A 64 13.551 8.482 4.417 1.00 0.00 N ATOM 1019 CA THR A 64 12.910 9.029 5.606 1.00 0.00 C ATOM 1020 C THR A 64 11.391 8.963 5.491 1.00 0.00 C ATOM 1021 O THR A 64 10.725 8.308 6.294 1.00 0.00 O ATOM 1022 CB THR A 64 13.332 10.490 5.850 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.757 10.607 5.776 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.848 10.973 7.209 1.00 0.00 C ATOM 0 H THR A 64 14.381 8.991 4.113 1.00 0.00 H new ATOM 0 HA THR A 64 13.235 8.419 6.449 1.00 0.00 H new ATOM 0 HB THR A 64 12.877 11.111 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.017 11.539 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.158 12.007 7.359 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.761 10.910 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.278 10.348 7.992 1.00 0.00 H new ATOM 1032 N LEU A 65 10.849 9.643 4.487 1.00 0.00 N ATOM 1033 CA LEU A 65 9.407 9.661 4.266 1.00 0.00 C ATOM 1034 C LEU A 65 8.830 8.250 4.319 1.00 0.00 C ATOM 1035 O LEU A 65 7.767 8.024 4.896 1.00 0.00 O ATOM 1036 CB LEU A 65 9.086 10.306 2.917 1.00 0.00 C ATOM 1037 CG LEU A 65 9.109 11.834 2.880 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.935 12.337 1.456 1.00 0.00 C ATOM 1039 CD2 LEU A 65 8.028 12.406 3.786 1.00 0.00 C ATOM 0 H LEU A 65 11.386 10.189 3.813 1.00 0.00 H new ATOM 0 HA LEU A 65 8.950 10.250 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.799 9.934 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.098 9.970 2.602 1.00 0.00 H new ATOM 0 HG LEU A 65 10.078 12.172 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.954 13.427 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.745 11.957 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.981 11.989 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.059 13.495 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.051 12.059 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.199 12.075 4.810 1.00 0.00 H new ATOM 1051 N ALA A 66 9.541 7.304 3.714 1.00 0.00 N ATOM 1052 CA ALA A 66 9.102 5.914 3.695 1.00 0.00 C ATOM 1053 C ALA A 66 9.174 5.296 5.087 1.00 0.00 C ATOM 1054 O ALA A 66 8.160 4.872 5.641 1.00 0.00 O ATOM 1055 CB ALA A 66 9.941 5.108 2.714 1.00 0.00 C ATOM 0 H ALA A 66 10.423 7.475 3.231 1.00 0.00 H new ATOM 0 HA ALA A 66 8.062 5.893 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.602 4.072 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.835 5.528 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.988 5.146 3.014 1.00 0.00 H new ATOM 1061 N GLU A 67 10.379 5.250 5.648 1.00 0.00 N ATOM 1062 CA GLU A 67 10.581 4.683 6.975 1.00 0.00 C ATOM 1063 C GLU A 67 9.495 5.151 7.939 1.00 0.00 C ATOM 1064 O GLU A 67 9.117 4.431 8.862 1.00 0.00 O ATOM 1065 CB GLU A 67 11.959 5.071 7.515 1.00 0.00 C ATOM 1066 CG GLU A 67 13.076 4.148 7.056 1.00 0.00 C ATOM 1067 CD GLU A 67 14.361 4.355 7.834 1.00 0.00 C ATOM 1068 OE1 GLU A 67 15.029 5.386 7.610 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.698 3.487 8.665 1.00 0.00 O ATOM 0 H GLU A 67 11.229 5.598 5.204 1.00 0.00 H new ATOM 0 HA GLU A 67 10.524 3.598 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.189 6.089 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.925 5.073 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.754 3.112 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.267 4.314 5.996 1.00 0.00 H new ATOM 1076 N ALA A 68 8.998 6.363 7.717 1.00 0.00 N ATOM 1077 CA ALA A 68 7.954 6.928 8.564 1.00 0.00 C ATOM 1078 C ALA A 68 6.665 6.121 8.458 1.00 0.00 C ATOM 1079 O ALA A 68 5.989 5.877 9.458 1.00 0.00 O ATOM 1080 CB ALA A 68 7.702 8.382 8.191 1.00 0.00 C ATOM 0 H ALA A 68 9.301 6.973 6.958 1.00 0.00 H new ATOM 0 HA ALA A 68 8.295 6.884 9.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.920 8.792 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.619 8.956 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.386 8.441 7.149 1.00 0.00 H new ATOM 1086 N LEU A 69 6.328 5.710 7.240 1.00 0.00 N ATOM 1087 CA LEU A 69 5.118 4.930 7.003 1.00 0.00 C ATOM 1088 C LEU A 69 5.426 3.437 6.994 1.00 0.00 C ATOM 1089 O LEU A 69 4.710 2.648 6.377 1.00 0.00 O ATOM 1090 CB LEU A 69 4.476 5.339 5.676 1.00 0.00 C ATOM 1091 CG LEU A 69 4.045 6.801 5.561 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.584 7.112 4.145 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.943 7.112 6.563 1.00 0.00 C ATOM 0 H LEU A 69 6.876 5.904 6.402 1.00 0.00 H new ATOM 0 HA LEU A 69 4.419 5.133 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.181 5.125 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.602 4.709 5.509 1.00 0.00 H new ATOM 0 HG LEU A 69 4.904 7.432 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.281 8.157 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.401 6.929 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.739 6.473 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.648 8.157 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.082 6.473 6.367 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.308 6.929 7.574 1.00 0.00 H new ATOM 1105 N VAL A 70 6.496 3.054 7.684 1.00 0.00 N ATOM 1106 CA VAL A 70 6.897 1.654 7.759 1.00 0.00 C ATOM 1107 C VAL A 70 6.462 1.027 9.078 1.00 0.00 C ATOM 1108 O VAL A 70 6.702 1.581 10.150 1.00 0.00 O ATOM 1109 CB VAL A 70 8.422 1.498 7.607 1.00 0.00 C ATOM 1110 CG1 VAL A 70 8.872 0.136 8.112 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.836 1.702 6.158 1.00 0.00 C ATOM 0 H VAL A 70 7.101 3.694 8.199 1.00 0.00 H new ATOM 0 HA VAL A 70 6.403 1.139 6.935 1.00 0.00 H new ATOM 0 HB VAL A 70 8.910 2.262 8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.952 0.044 7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.609 0.033 9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.378 -0.647 7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.916 1.588 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.340 0.962 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.549 2.703 5.835 1.00 0.00 H new ATOM 1121 N GLY A 71 5.820 -0.135 8.992 1.00 0.00 N ATOM 1122 CA GLY A 71 5.361 -0.819 10.187 1.00 0.00 C ATOM 1123 C GLY A 71 3.853 -0.788 10.330 1.00 0.00 C ATOM 1124 O GLY A 71 3.248 -1.740 10.825 1.00 0.00 O ATOM 0 H GLY A 71 5.610 -0.614 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.699 -1.855 10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.815 -0.357 11.063 1.00 0.00 H new ATOM 1128 N LEU A 72 3.242 0.310 9.899 1.00 0.00 N ATOM 1129 CA LEU A 72 1.793 0.463 9.983 1.00 0.00 C ATOM 1130 C LEU A 72 1.088 -0.508 9.042 1.00 0.00 C ATOM 1131 O LEU A 72 1.714 -1.104 8.166 1.00 0.00 O ATOM 1132 CB LEU A 72 1.392 1.900 9.646 1.00 0.00 C ATOM 1133 CG LEU A 72 1.876 2.978 10.617 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.566 4.364 10.074 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.242 2.785 11.987 1.00 0.00 C ATOM 0 H LEU A 72 3.727 1.108 9.488 1.00 0.00 H new ATOM 0 HA LEU A 72 1.487 0.237 11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.771 2.138 8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.304 1.949 9.593 1.00 0.00 H new ATOM 0 HG LEU A 72 2.957 2.886 10.723 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.918 5.118 10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.068 4.500 9.116 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.490 4.469 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.598 3.561 12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.158 2.850 11.898 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.516 1.806 12.380 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.219 -0.660 9.228 1.00 0.00 N ATOM 1148 CA ARG A 73 -1.010 -1.558 8.395 1.00 0.00 C ATOM 1149 C ARG A 73 -1.821 -0.774 7.368 1.00 0.00 C ATOM 1150 O ARG A 73 -2.345 0.300 7.664 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.946 -2.401 9.263 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.219 -3.265 10.281 1.00 0.00 C ATOM 1153 CD ARG A 73 -2.122 -3.626 11.451 1.00 0.00 C ATOM 1154 NE ARG A 73 -3.102 -4.647 11.091 1.00 0.00 N ATOM 1155 CZ ARG A 73 -3.727 -5.411 11.980 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -3.475 -5.271 13.274 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -4.607 -6.319 11.574 1.00 0.00 N ATOM 0 H ARG A 73 -0.753 -0.173 9.948 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.324 -2.218 7.864 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.636 -1.740 9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.547 -3.042 8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.864 -4.176 9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.340 -2.735 10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.514 -3.984 12.281 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.640 -2.732 11.798 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.318 -4.781 10.103 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.799 -4.575 13.590 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.957 -5.859 13.954 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.803 -6.430 10.579 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.087 -6.905 12.257 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.919 -1.317 6.159 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.666 -0.669 5.087 1.00 0.00 C ATOM 1173 C VAL A 74 -4.094 -1.197 5.016 1.00 0.00 C ATOM 1174 O VAL A 74 -4.323 -2.406 5.058 1.00 0.00 O ATOM 1175 CB VAL A 74 -1.984 -0.879 3.722 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.681 -0.059 2.646 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.508 -0.521 3.804 1.00 0.00 C ATOM 0 H VAL A 74 -1.490 -2.205 5.897 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.687 0.397 5.314 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.065 -1.932 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.186 -0.220 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.724 -0.368 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.633 0.998 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.042 -0.675 2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.403 0.524 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.020 -1.155 4.545 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.052 -0.283 4.908 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.459 -0.656 4.833 1.00 0.00 C ATOM 1189 C TYR A 75 -7.037 -0.329 3.459 1.00 0.00 C ATOM 1190 O TYR A 75 -6.615 0.626 2.807 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.259 0.066 5.919 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.052 -0.505 7.304 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.868 -0.289 7.997 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.043 -1.261 7.919 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.675 -0.810 9.262 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.859 -1.785 9.184 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.674 -1.557 9.851 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.486 -2.077 11.111 1.00 0.00 O ATOM 0 H TYR A 75 -4.879 0.722 4.870 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.532 -1.732 4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.980 1.120 5.924 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.319 0.018 5.670 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.084 0.296 7.539 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.972 -1.442 7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.748 -0.633 9.787 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.639 -2.370 9.648 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.340 -1.347 11.748 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.006 -1.129 3.027 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.644 -0.925 1.732 1.00 0.00 C ATOM 1210 C ALA A 76 -10.135 -0.647 1.893 1.00 0.00 C ATOM 1211 O ALA A 76 -10.737 -1.010 2.903 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.424 -2.137 0.838 1.00 0.00 C ATOM 0 H ALA A 76 -8.366 -1.924 3.554 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.187 -0.054 1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.906 -1.971 -0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.355 -2.289 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.853 -3.020 1.311 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.723 -0.001 0.891 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.144 0.326 0.924 1.00 0.00 C ATOM 1220 C GLU A 77 -12.897 -0.410 -0.180 1.00 0.00 C ATOM 1221 O GLU A 77 -12.606 -0.242 -1.364 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.345 1.836 0.775 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.587 2.357 1.479 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.909 3.791 1.109 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.655 3.999 0.129 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -13.414 4.707 1.800 1.00 0.00 O ATOM 0 H GLU A 77 -10.238 0.306 0.048 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.543 0.007 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.470 2.351 1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.408 2.083 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.436 1.721 1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.445 2.287 2.557 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.867 -1.227 0.217 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.664 -1.989 -0.737 1.00 0.00 C ATOM 1235 C VAL A 78 -15.324 -1.071 -1.759 1.00 0.00 C ATOM 1236 O VAL A 78 -15.604 -1.479 -2.886 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.752 -2.815 -0.026 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.388 -3.805 -0.991 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.171 -3.535 1.182 1.00 0.00 C ATOM 0 H VAL A 78 -14.120 -1.378 1.193 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.981 -2.667 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.529 -2.135 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.154 -4.379 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.842 -3.264 -1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.624 -4.482 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.954 -4.114 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.374 -4.204 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.768 -2.804 1.883 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.571 0.172 -1.357 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.197 1.149 -2.239 1.00 0.00 C ATOM 1251 C ALA A 79 -15.530 1.158 -3.610 1.00 0.00 C ATOM 1252 O ALA A 79 -16.126 1.588 -4.598 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.141 2.535 -1.614 1.00 0.00 C ATOM 0 H ALA A 79 -15.347 0.526 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.241 0.864 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.612 3.255 -2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.669 2.526 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.101 2.818 -1.450 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.291 0.682 -3.663 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.543 0.635 -4.914 1.00 0.00 C ATOM 1261 C ASP A 80 -13.559 -0.772 -5.504 1.00 0.00 C ATOM 1262 O ASP A 80 -13.715 -0.948 -6.713 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.100 1.089 -4.687 1.00 0.00 C ATOM 1264 CG ASP A 80 -12.009 2.551 -4.294 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -12.468 3.406 -5.080 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.478 2.839 -3.201 1.00 0.00 O ATOM 0 H ASP A 80 -13.783 0.323 -2.854 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.022 1.312 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.648 0.477 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.523 0.923 -5.597 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.396 -1.771 -4.643 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.391 -3.163 -5.079 1.00 0.00 C ATOM 1273 C LEU A 81 -14.461 -3.406 -6.139 1.00 0.00 C ATOM 1274 O LEU A 81 -15.537 -2.807 -6.118 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.618 -4.092 -3.886 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.464 -4.200 -2.889 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.908 -4.935 -1.634 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.272 -4.900 -3.526 1.00 0.00 C ATOM 0 H LEU A 81 -13.266 -1.643 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.417 -3.377 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.504 -3.752 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.838 -5.090 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.160 -3.192 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.073 -5.002 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.729 -4.392 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.241 -5.939 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.460 -4.968 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.564 -5.902 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.937 -4.332 -4.394 1.00 0.00 H new