USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot -85:sc= 0.266 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -1.89 X(o=-1.6,f=-1.2) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= -0.377 (180deg=-1.37!) 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= -1.62 K(o=-1.6,f=-0.044) 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 64:sc= 0.0407 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.822 -0.805 5.685 1.00 0.00 N ATOM 43 CA LEU A 3 -12.431 -0.998 5.291 1.00 0.00 C ATOM 44 C LEU A 3 -11.917 -2.357 5.756 1.00 0.00 C ATOM 45 O LEU A 3 -12.458 -2.951 6.689 1.00 0.00 O ATOM 46 CB LEU A 3 -11.557 0.116 5.869 1.00 0.00 C ATOM 47 CG LEU A 3 -11.982 1.546 5.532 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.287 2.539 6.450 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.680 1.862 4.074 1.00 0.00 C ATOM 0 HA LEU A 3 -12.379 -0.964 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.538 0.010 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.536 -0.031 5.517 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.058 1.632 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.601 3.551 6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.553 2.326 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.207 2.453 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.989 2.883 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.610 1.759 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.225 1.170 3.431 1.00 0.00 H new ATOM 61 N VAL A 4 -10.867 -2.843 5.101 1.00 0.00 N ATOM 62 CA VAL A 4 -10.278 -4.130 5.449 1.00 0.00 C ATOM 63 C VAL A 4 -8.773 -4.128 5.206 1.00 0.00 C ATOM 64 O VAL A 4 -8.280 -3.444 4.310 1.00 0.00 O ATOM 65 CB VAL A 4 -10.916 -5.276 4.642 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.393 -5.409 4.979 1.00 0.00 C ATOM 67 CG2 VAL A 4 -10.718 -5.052 3.151 1.00 0.00 C ATOM 0 H VAL A 4 -10.407 -2.364 4.326 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.472 -4.291 6.509 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.421 -6.208 4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.827 -6.224 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.506 -5.620 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.907 -4.478 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.175 -5.871 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.185 -4.111 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.652 -5.013 2.927 1.00 0.00 H new ATOM 77 N GLU A 5 -8.048 -4.900 6.010 1.00 0.00 N ATOM 78 CA GLU A 5 -6.598 -4.987 5.882 1.00 0.00 C ATOM 79 C GLU A 5 -6.207 -5.995 4.804 1.00 0.00 C ATOM 80 O GLU A 5 -6.478 -7.189 4.929 1.00 0.00 O ATOM 81 CB GLU A 5 -5.968 -5.383 7.219 1.00 0.00 C ATOM 82 CG GLU A 5 -4.458 -5.534 7.159 1.00 0.00 C ATOM 83 CD GLU A 5 -3.836 -5.725 8.529 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.210 -4.981 9.460 1.00 0.00 O ATOM 85 OE2 GLU A 5 -2.975 -6.618 8.670 1.00 0.00 O ATOM 0 H GLU A 5 -8.441 -5.474 6.756 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.225 -4.005 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.220 -4.631 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.406 -6.324 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.207 -6.386 6.528 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.027 -4.651 6.688 1.00 0.00 H new ATOM 92 N ILE A 6 -5.568 -5.504 3.748 1.00 0.00 N ATOM 93 CA ILE A 6 -5.139 -6.360 2.649 1.00 0.00 C ATOM 94 C ILE A 6 -3.657 -6.702 2.765 1.00 0.00 C ATOM 95 O ILE A 6 -3.239 -7.814 2.446 1.00 0.00 O ATOM 96 CB ILE A 6 -5.395 -5.696 1.284 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.834 -4.272 1.272 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.884 -5.686 0.971 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.904 -3.607 -0.085 1.00 0.00 C ATOM 0 H ILE A 6 -5.336 -4.518 3.630 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.728 -7.275 2.714 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.885 -6.275 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.384 -3.667 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.796 -4.296 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.049 -5.213 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.257 -6.710 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.414 -5.128 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.489 -2.601 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.330 -4.189 -0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.943 -3.551 -0.409 1.00 0.00 H new ATOM 111 N GLY A 7 -2.867 -5.738 3.227 1.00 0.00 N ATOM 112 CA GLY A 7 -1.441 -5.957 3.379 1.00 0.00 C ATOM 113 C GLY A 7 -0.815 -5.020 4.394 1.00 0.00 C ATOM 114 O GLY A 7 -1.492 -4.155 4.950 1.00 0.00 O ATOM 0 H GLY A 7 -3.189 -4.809 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.266 -6.988 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.951 -5.823 2.415 1.00 0.00 H new ATOM 118 N ARG A 8 0.480 -5.194 4.638 1.00 0.00 N ATOM 119 CA ARG A 8 1.195 -4.360 5.595 1.00 0.00 C ATOM 120 C ARG A 8 2.588 -4.012 5.079 1.00 0.00 C ATOM 121 O ARG A 8 3.233 -4.819 4.409 1.00 0.00 O ATOM 122 CB ARG A 8 1.304 -5.072 6.945 1.00 0.00 C ATOM 123 CG ARG A 8 2.283 -4.416 7.904 1.00 0.00 C ATOM 124 CD ARG A 8 2.494 -5.261 9.150 1.00 0.00 C ATOM 125 NE ARG A 8 3.554 -6.248 8.969 1.00 0.00 N ATOM 126 CZ ARG A 8 4.848 -5.964 9.067 1.00 0.00 C ATOM 127 NH1 ARG A 8 5.239 -4.728 9.344 1.00 0.00 N ATOM 128 NH2 ARG A 8 5.753 -6.918 8.889 1.00 0.00 N ATOM 0 H ARG A 8 1.055 -5.905 4.186 1.00 0.00 H new ATOM 0 HA ARG A 8 0.632 -3.436 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.319 -5.103 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.610 -6.105 6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.238 -4.262 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.911 -3.432 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.742 -4.612 9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.564 -5.770 9.404 1.00 0.00 H new ATOM 0 HE ARG A 8 3.286 -7.209 8.755 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.546 -3.993 9.482 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.233 -4.512 9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.455 -7.870 8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.746 -6.699 8.964 1.00 0.00 H new ATOM 142 N PHE A 9 3.046 -2.805 5.394 1.00 0.00 N ATOM 143 CA PHE A 9 4.362 -2.349 4.961 1.00 0.00 C ATOM 144 C PHE A 9 5.467 -3.077 5.720 1.00 0.00 C ATOM 145 O PHE A 9 5.356 -3.316 6.922 1.00 0.00 O ATOM 146 CB PHE A 9 4.495 -0.839 5.167 1.00 0.00 C ATOM 147 CG PHE A 9 3.520 -0.034 4.356 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.371 -0.266 2.998 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.752 0.953 4.951 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.475 0.474 2.249 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.853 1.695 4.208 1.00 0.00 C ATOM 152 CZ PHE A 9 1.714 1.454 2.855 1.00 0.00 C ATOM 0 H PHE A 9 2.525 -2.125 5.948 1.00 0.00 H new ATOM 0 HA PHE A 9 4.466 -2.574 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.352 -0.611 6.223 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.509 -0.533 4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.961 -1.033 2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.857 1.145 6.009 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.370 0.286 1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.260 2.462 4.685 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.011 2.031 2.272 1.00 0.00 H new ATOM 162 N GLY A 10 6.534 -3.427 5.008 1.00 0.00 N ATOM 163 CA GLY A 10 7.644 -4.125 5.630 1.00 0.00 C ATOM 164 C GLY A 10 8.875 -3.251 5.766 1.00 0.00 C ATOM 165 O GLY A 10 9.121 -2.675 6.825 1.00 0.00 O ATOM 0 H GLY A 10 6.649 -3.240 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.341 -4.477 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.892 -5.007 5.039 1.00 0.00 H new ATOM 169 N ALA A 11 9.652 -3.154 4.692 1.00 0.00 N ATOM 170 CA ALA A 11 10.864 -2.344 4.696 1.00 0.00 C ATOM 171 C ALA A 11 10.834 -1.306 3.580 1.00 0.00 C ATOM 172 O ALA A 11 10.202 -1.495 2.540 1.00 0.00 O ATOM 173 CB ALA A 11 12.092 -3.232 4.561 1.00 0.00 C ATOM 0 H ALA A 11 9.464 -3.626 3.808 1.00 0.00 H new ATOM 0 HA ALA A 11 10.915 -1.814 5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.990 -2.614 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.129 -3.932 5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.038 -3.787 3.625 1.00 0.00 H new ATOM 179 N PRO A 12 11.532 -0.181 3.798 1.00 0.00 N ATOM 180 CA PRO A 12 11.601 0.909 2.821 1.00 0.00 C ATOM 181 C PRO A 12 12.409 0.530 1.585 1.00 0.00 C ATOM 182 O PRO A 12 13.633 0.410 1.644 1.00 0.00 O ATOM 183 CB PRO A 12 12.298 2.033 3.592 1.00 0.00 C ATOM 184 CG PRO A 12 13.097 1.335 4.638 1.00 0.00 C ATOM 185 CD PRO A 12 12.308 0.111 5.014 1.00 0.00 C ATOM 0 HA PRO A 12 10.615 1.180 2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.936 2.626 2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.574 2.716 4.037 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.082 1.063 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.254 1.979 5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.960 -0.720 5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.659 0.298 5.870 1.00 0.00 H new ATOM 193 N TYR A 13 11.718 0.344 0.466 1.00 0.00 N ATOM 194 CA TYR A 13 12.372 -0.023 -0.785 1.00 0.00 C ATOM 195 C TYR A 13 13.578 0.872 -1.052 1.00 0.00 C ATOM 196 O TYR A 13 13.834 1.824 -0.316 1.00 0.00 O ATOM 197 CB TYR A 13 11.384 0.072 -1.949 1.00 0.00 C ATOM 198 CG TYR A 13 11.821 -0.693 -3.178 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.986 -2.072 -3.140 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.071 -0.036 -4.376 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.385 -2.775 -4.260 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.470 -0.730 -5.502 1.00 0.00 C ATOM 203 CZ TYR A 13 12.626 -2.099 -5.439 1.00 0.00 C ATOM 204 OH TYR A 13 13.025 -2.795 -6.558 1.00 0.00 O ATOM 0 H TYR A 13 10.705 0.441 0.399 1.00 0.00 H new ATOM 0 HA TYR A 13 12.719 -1.052 -0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.414 -0.304 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.247 1.120 -2.214 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.799 -2.604 -2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.951 1.036 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.508 -3.847 -4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.659 -0.204 -6.426 1.00 0.00 H new ATOM 0 HH TYR A 13 13.151 -2.171 -7.303 1.00 0.00 H new ATOM 214 N ALA A 14 14.316 0.558 -2.112 1.00 0.00 N ATOM 215 CA ALA A 14 15.494 1.335 -2.480 1.00 0.00 C ATOM 216 C ALA A 14 15.262 2.825 -2.250 1.00 0.00 C ATOM 217 O ALA A 14 14.122 3.290 -2.225 1.00 0.00 O ATOM 218 CB ALA A 14 15.865 1.074 -3.932 1.00 0.00 C ATOM 0 H ALA A 14 14.119 -0.229 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 14 16.321 1.020 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.746 1.660 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.081 0.014 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.034 1.360 -4.577 1.00 0.00 H new ATOM 224 N LEU A 15 16.350 3.568 -2.083 1.00 0.00 N ATOM 225 CA LEU A 15 16.266 5.007 -1.854 1.00 0.00 C ATOM 226 C LEU A 15 15.146 5.625 -2.684 1.00 0.00 C ATOM 227 O LEU A 15 14.559 6.637 -2.299 1.00 0.00 O ATOM 228 CB LEU A 15 17.598 5.676 -2.196 1.00 0.00 C ATOM 229 CG LEU A 15 18.854 4.981 -1.668 1.00 0.00 C ATOM 230 CD1 LEU A 15 20.091 5.812 -1.971 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.733 4.728 -0.172 1.00 0.00 C ATOM 0 H LEU A 15 17.301 3.199 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 15 16.045 5.170 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.677 5.750 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.580 6.694 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 15 18.954 4.020 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.975 5.302 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.186 5.943 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.000 6.788 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.635 4.233 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.608 5.677 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.869 4.092 0.021 1.00 0.00 H new ATOM 243 N LYS A 16 14.852 5.009 -3.824 1.00 0.00 N ATOM 244 CA LYS A 16 13.799 5.496 -4.708 1.00 0.00 C ATOM 245 C LYS A 16 12.632 6.060 -3.904 1.00 0.00 C ATOM 246 O LYS A 16 11.949 6.982 -4.347 1.00 0.00 O ATOM 247 CB LYS A 16 13.308 4.369 -5.619 1.00 0.00 C ATOM 248 CG LYS A 16 14.196 4.134 -6.829 1.00 0.00 C ATOM 249 CD LYS A 16 13.760 4.981 -8.013 1.00 0.00 C ATOM 250 CE LYS A 16 14.335 6.387 -7.935 1.00 0.00 C ATOM 251 NZ LYS A 16 15.785 6.375 -7.598 1.00 0.00 N ATOM 0 H LYS A 16 15.328 4.171 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 16 14.214 6.295 -5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.245 3.447 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.299 4.602 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.230 4.368 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.166 3.080 -7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.082 4.506 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.672 5.033 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.188 6.893 -8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.792 6.960 -7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.257 7.173 -8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.903 6.461 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.209 5.482 -7.922 1.00 0.00 H new ATOM 265 N GLY A 17 12.409 5.499 -2.719 1.00 0.00 N ATOM 266 CA GLY A 17 11.324 5.960 -1.873 1.00 0.00 C ATOM 267 C GLY A 17 10.201 4.947 -1.766 1.00 0.00 C ATOM 268 O GLY A 17 9.337 5.057 -0.898 1.00 0.00 O ATOM 0 H GLY A 17 12.960 4.734 -2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.711 6.176 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.929 6.895 -2.271 1.00 0.00 H new ATOM 272 N GLY A 18 10.213 3.957 -2.654 1.00 0.00 N ATOM 273 CA GLY A 18 9.182 2.936 -2.640 1.00 0.00 C ATOM 274 C GLY A 18 9.044 2.270 -1.285 1.00 0.00 C ATOM 275 O GLY A 18 9.953 2.337 -0.456 1.00 0.00 O ATOM 0 H GLY A 18 10.918 3.844 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.228 3.383 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.413 2.180 -3.391 1.00 0.00 H new ATOM 279 N LEU A 19 7.905 1.626 -1.057 1.00 0.00 N ATOM 280 CA LEU A 19 7.650 0.946 0.208 1.00 0.00 C ATOM 281 C LEU A 19 7.195 -0.491 -0.028 1.00 0.00 C ATOM 282 O LEU A 19 6.245 -0.738 -0.771 1.00 0.00 O ATOM 283 CB LEU A 19 6.591 1.702 1.012 1.00 0.00 C ATOM 284 CG LEU A 19 7.067 2.968 1.725 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.882 3.838 2.117 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.896 2.611 2.950 1.00 0.00 C ATOM 0 H LEU A 19 7.143 1.560 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 19 8.581 0.925 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.777 1.972 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.176 1.023 1.757 1.00 0.00 H new ATOM 0 HG LEU A 19 7.696 3.534 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.240 4.734 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.328 4.123 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.227 3.281 2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.226 3.524 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.291 2.023 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.766 2.030 2.644 1.00 0.00 H new ATOM 298 N ARG A 20 7.879 -1.435 0.611 1.00 0.00 N ATOM 299 CA ARG A 20 7.545 -2.847 0.471 1.00 0.00 C ATOM 300 C ARG A 20 6.189 -3.150 1.102 1.00 0.00 C ATOM 301 O ARG A 20 6.062 -3.210 2.325 1.00 0.00 O ATOM 302 CB ARG A 20 8.626 -3.715 1.117 1.00 0.00 C ATOM 303 CG ARG A 20 9.852 -3.914 0.241 1.00 0.00 C ATOM 304 CD ARG A 20 11.095 -4.183 1.075 1.00 0.00 C ATOM 305 NE ARG A 20 10.979 -5.415 1.849 1.00 0.00 N ATOM 306 CZ ARG A 20 12.011 -6.022 2.425 1.00 0.00 C ATOM 307 NH1 ARG A 20 13.230 -5.512 2.313 1.00 0.00 N ATOM 308 NH2 ARG A 20 11.825 -7.141 3.113 1.00 0.00 N ATOM 0 H ARG A 20 8.667 -1.247 1.230 1.00 0.00 H new ATOM 0 HA ARG A 20 7.491 -3.078 -0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.933 -3.258 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.201 -4.689 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.682 -4.748 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.009 -3.027 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.964 -4.247 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.266 -3.345 1.751 1.00 0.00 H new ATOM 0 HE ARG A 20 10.055 -5.833 1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.377 -4.652 1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.021 -5.979 2.756 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.889 -7.536 3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.618 -7.606 3.555 1.00 0.00 H new ATOM 322 N PHE A 21 5.179 -3.340 0.260 1.00 0.00 N ATOM 323 CA PHE A 21 3.833 -3.635 0.735 1.00 0.00 C ATOM 324 C PHE A 21 3.457 -5.084 0.439 1.00 0.00 C ATOM 325 O PHE A 21 3.379 -5.493 -0.719 1.00 0.00 O ATOM 326 CB PHE A 21 2.820 -2.691 0.083 1.00 0.00 C ATOM 327 CG PHE A 21 1.406 -3.193 0.146 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.675 -3.098 1.319 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.808 -3.759 -0.968 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.627 -3.558 1.380 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.494 -4.221 -0.913 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.212 -4.121 0.263 1.00 0.00 C ATOM 0 H PHE A 21 5.267 -3.295 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 21 3.816 -3.486 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.874 -1.719 0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.097 -2.538 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.128 -2.659 2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.365 -3.840 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.186 -3.477 2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.949 -4.660 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.229 -4.482 0.309 1.00 0.00 H new ATOM 342 N ARG A 22 3.226 -5.857 1.496 1.00 0.00 N ATOM 343 CA ARG A 22 2.861 -7.261 1.351 1.00 0.00 C ATOM 344 C ARG A 22 1.372 -7.465 1.617 1.00 0.00 C ATOM 345 O ARG A 22 0.947 -7.584 2.766 1.00 0.00 O ATOM 346 CB ARG A 22 3.685 -8.125 2.307 1.00 0.00 C ATOM 347 CG ARG A 22 3.606 -9.613 2.004 1.00 0.00 C ATOM 348 CD ARG A 22 4.370 -10.432 3.033 1.00 0.00 C ATOM 349 NE ARG A 22 5.814 -10.350 2.834 1.00 0.00 N ATOM 350 CZ ARG A 22 6.694 -11.052 3.539 1.00 0.00 C ATOM 351 NH1 ARG A 22 6.279 -11.884 4.484 1.00 0.00 N ATOM 352 NH2 ARG A 22 7.993 -10.923 3.300 1.00 0.00 N ATOM 0 H ARG A 22 3.285 -5.534 2.462 1.00 0.00 H new ATOM 0 HA ARG A 22 3.074 -7.563 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.727 -7.809 2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.342 -7.952 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.562 -9.928 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.011 -9.805 1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.121 -10.080 4.034 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.054 -11.474 2.974 1.00 0.00 H new ATOM 0 HE ARG A 22 6.166 -9.719 2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.282 -11.986 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.957 -12.422 5.024 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.317 -10.284 2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.667 -11.463 3.842 1.00 0.00 H new ATOM 366 N GLY A 23 0.585 -7.505 0.547 1.00 0.00 N ATOM 367 CA GLY A 23 -0.847 -7.695 0.686 1.00 0.00 C ATOM 368 C GLY A 23 -1.424 -8.576 -0.405 1.00 0.00 C ATOM 369 O GLY A 23 -0.721 -8.956 -1.340 1.00 0.00 O ATOM 0 H GLY A 23 0.913 -7.409 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.059 -8.140 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.343 -6.725 0.665 1.00 0.00 H new ATOM 373 N GLU A 24 -2.707 -8.902 -0.283 1.00 0.00 N ATOM 374 CA GLU A 24 -3.377 -9.746 -1.266 1.00 0.00 C ATOM 375 C GLU A 24 -3.149 -9.220 -2.680 1.00 0.00 C ATOM 376 O GLU A 24 -2.825 -8.051 -2.890 1.00 0.00 O ATOM 377 CB GLU A 24 -4.876 -9.818 -0.972 1.00 0.00 C ATOM 378 CG GLU A 24 -5.242 -10.855 0.077 1.00 0.00 C ATOM 379 CD GLU A 24 -5.286 -12.263 -0.485 1.00 0.00 C ATOM 380 OE1 GLU A 24 -4.235 -12.750 -0.948 1.00 0.00 O ATOM 381 OE2 GLU A 24 -6.374 -12.876 -0.461 1.00 0.00 O ATOM 0 H GLU A 24 -3.303 -8.595 0.486 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.952 -10.748 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.220 -8.839 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.408 -10.045 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.517 -10.815 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.214 -10.607 0.504 1.00 0.00 H new ATOM 388 N PRO A 25 -3.321 -10.104 -3.674 1.00 0.00 N ATOM 389 CA PRO A 25 -3.139 -9.752 -5.086 1.00 0.00 C ATOM 390 C PRO A 25 -4.231 -8.818 -5.596 1.00 0.00 C ATOM 391 O PRO A 25 -4.114 -8.241 -6.677 1.00 0.00 O ATOM 392 CB PRO A 25 -3.215 -11.104 -5.801 1.00 0.00 C ATOM 393 CG PRO A 25 -4.026 -11.966 -4.895 1.00 0.00 C ATOM 394 CD PRO A 25 -3.706 -11.514 -3.497 1.00 0.00 C ATOM 0 HA PRO A 25 -2.205 -9.216 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.683 -11.008 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.222 -11.523 -5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.090 -11.860 -5.105 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.777 -13.018 -5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.566 -11.616 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.897 -12.100 -3.061 1.00 0.00 H new ATOM 402 N VAL A 26 -5.294 -8.673 -4.810 1.00 0.00 N ATOM 403 CA VAL A 26 -6.407 -7.807 -5.181 1.00 0.00 C ATOM 404 C VAL A 26 -5.982 -6.343 -5.200 1.00 0.00 C ATOM 405 O VAL A 26 -6.664 -5.494 -5.774 1.00 0.00 O ATOM 406 CB VAL A 26 -7.594 -7.973 -4.214 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.177 -7.630 -2.792 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.766 -7.111 -4.658 1.00 0.00 C ATOM 0 H VAL A 26 -5.407 -9.144 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.719 -8.105 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.912 -9.015 -4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.029 -7.753 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.371 -8.294 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.832 -6.597 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.596 -7.240 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.463 -6.064 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.079 -7.410 -5.658 1.00 0.00 H new ATOM 418 N VAL A 27 -4.848 -6.054 -4.569 1.00 0.00 N ATOM 419 CA VAL A 27 -4.330 -4.692 -4.514 1.00 0.00 C ATOM 420 C VAL A 27 -3.977 -4.182 -5.906 1.00 0.00 C ATOM 421 O VAL A 27 -3.791 -2.981 -6.111 1.00 0.00 O ATOM 422 CB VAL A 27 -3.082 -4.602 -3.615 1.00 0.00 C ATOM 423 CG1 VAL A 27 -1.935 -5.402 -4.213 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.680 -3.150 -3.407 1.00 0.00 C ATOM 0 H VAL A 27 -4.271 -6.745 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.119 -4.070 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.323 -5.031 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.062 -5.327 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.230 -6.447 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.690 -5.006 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.797 -3.105 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.456 -2.693 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.499 -2.610 -2.931 1.00 0.00 H new ATOM 434 N LEU A 28 -3.888 -5.100 -6.862 1.00 0.00 N ATOM 435 CA LEU A 28 -3.559 -4.743 -8.238 1.00 0.00 C ATOM 436 C LEU A 28 -4.741 -4.065 -8.923 1.00 0.00 C ATOM 437 O LEU A 28 -4.613 -3.541 -10.030 1.00 0.00 O ATOM 438 CB LEU A 28 -3.146 -5.989 -9.023 1.00 0.00 C ATOM 439 CG LEU A 28 -1.990 -6.801 -8.436 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.560 -7.893 -9.403 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.817 -5.891 -8.100 1.00 0.00 C ATOM 0 H LEU A 28 -4.039 -6.097 -6.710 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.725 -4.041 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.014 -6.642 -9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.873 -5.683 -10.033 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.333 -7.274 -7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.737 -8.460 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.400 -8.561 -9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.235 -7.442 -10.340 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.003 -6.485 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.474 -5.390 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.132 -5.145 -7.370 1.00 0.00 H new ATOM 453 N HIS A 29 -5.891 -4.077 -8.256 1.00 0.00 N ATOM 454 CA HIS A 29 -7.096 -3.460 -8.799 1.00 0.00 C ATOM 455 C HIS A 29 -7.461 -2.201 -8.019 1.00 0.00 C ATOM 456 O HIS A 29 -8.506 -1.593 -8.254 1.00 0.00 O ATOM 457 CB HIS A 29 -8.260 -4.450 -8.766 1.00 0.00 C ATOM 458 CG HIS A 29 -8.056 -5.644 -9.647 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.620 -5.760 -10.900 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.343 -6.778 -9.450 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.264 -6.915 -11.435 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.489 -7.551 -10.575 1.00 0.00 N ATOM 0 H HIS A 29 -6.014 -4.507 -7.339 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.896 -3.180 -9.833 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.411 -4.787 -7.740 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.172 -3.936 -9.070 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.767 -7.028 -8.571 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.557 -7.277 -12.409 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.067 -8.468 -10.723 1.00 0.00 H new ATOM 470 N LEU A 30 -6.594 -1.815 -7.089 1.00 0.00 N ATOM 471 CA LEU A 30 -6.825 -0.628 -6.272 1.00 0.00 C ATOM 472 C LEU A 30 -6.111 0.585 -6.860 1.00 0.00 C ATOM 473 O LEU A 30 -5.297 0.455 -7.774 1.00 0.00 O ATOM 474 CB LEU A 30 -6.349 -0.870 -4.839 1.00 0.00 C ATOM 475 CG LEU A 30 -7.210 -1.812 -3.996 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.683 -1.884 -2.571 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.663 -1.360 -4.007 1.00 0.00 C ATOM 0 H LEU A 30 -5.725 -2.307 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.896 -0.426 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.336 -1.272 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.292 0.092 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.158 -2.810 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.308 -2.559 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.658 -2.255 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.705 -0.890 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.261 -2.042 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.734 -0.353 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.037 -1.361 -5.031 1.00 0.00 H new ATOM 489 N GLU A 31 -6.419 1.763 -6.326 1.00 0.00 N ATOM 490 CA GLU A 31 -5.805 2.998 -6.798 1.00 0.00 C ATOM 491 C GLU A 31 -5.224 3.796 -5.633 1.00 0.00 C ATOM 492 O GLU A 31 -4.182 4.438 -5.765 1.00 0.00 O ATOM 493 CB GLU A 31 -6.830 3.848 -7.552 1.00 0.00 C ATOM 494 CG GLU A 31 -7.004 3.444 -9.006 1.00 0.00 C ATOM 495 CD GLU A 31 -8.209 4.098 -9.653 1.00 0.00 C ATOM 496 OE1 GLU A 31 -9.346 3.691 -9.335 1.00 0.00 O ATOM 497 OE2 GLU A 31 -8.016 5.016 -10.477 1.00 0.00 O ATOM 0 H GLU A 31 -7.089 1.888 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.994 2.734 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.793 3.775 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.525 4.894 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.107 3.712 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.106 2.361 -9.068 1.00 0.00 H new ATOM 504 N ARG A 32 -5.907 3.750 -4.494 1.00 0.00 N ATOM 505 CA ARG A 32 -5.460 4.469 -3.307 1.00 0.00 C ATOM 506 C ARG A 32 -5.233 3.508 -2.143 1.00 0.00 C ATOM 507 O ARG A 32 -5.540 2.320 -2.236 1.00 0.00 O ATOM 508 CB ARG A 32 -6.488 5.531 -2.912 1.00 0.00 C ATOM 509 CG ARG A 32 -7.685 4.972 -2.161 1.00 0.00 C ATOM 510 CD ARG A 32 -8.525 6.081 -1.546 1.00 0.00 C ATOM 511 NE ARG A 32 -9.303 6.799 -2.552 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.031 7.878 -2.285 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.080 8.360 -1.051 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.712 8.476 -3.254 1.00 0.00 N ATOM 0 H ARG A 32 -6.771 3.223 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.514 4.957 -3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.000 6.283 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.838 6.037 -3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.300 4.383 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.341 4.297 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.199 5.656 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.874 6.782 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.287 6.453 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.558 7.902 -0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.640 9.188 -0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.677 8.107 -4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.271 9.304 -3.048 1.00 0.00 H new ATOM 528 N VAL A 33 -4.693 4.032 -1.047 1.00 0.00 N ATOM 529 CA VAL A 33 -4.425 3.222 0.135 1.00 0.00 C ATOM 530 C VAL A 33 -4.622 4.031 1.412 1.00 0.00 C ATOM 531 O VAL A 33 -4.498 5.256 1.409 1.00 0.00 O ATOM 532 CB VAL A 33 -2.992 2.657 0.115 1.00 0.00 C ATOM 533 CG1 VAL A 33 -2.871 1.546 -0.916 1.00 0.00 C ATOM 534 CG2 VAL A 33 -1.987 3.764 -0.161 1.00 0.00 C ATOM 0 H VAL A 33 -4.433 5.014 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.135 2.395 0.119 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.772 2.235 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.852 1.159 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.564 0.742 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.110 1.939 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.980 3.347 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.202 4.218 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.058 4.522 0.619 1.00 0.00 H new ATOM 544 N TYR A 34 -4.931 3.339 2.503 1.00 0.00 N ATOM 545 CA TYR A 34 -5.148 3.993 3.788 1.00 0.00 C ATOM 546 C TYR A 34 -4.058 3.611 4.785 1.00 0.00 C ATOM 547 O TYR A 34 -3.868 2.435 5.095 1.00 0.00 O ATOM 548 CB TYR A 34 -6.521 3.619 4.349 1.00 0.00 C ATOM 549 CG TYR A 34 -6.774 4.158 5.738 1.00 0.00 C ATOM 550 CD1 TYR A 34 -6.129 5.303 6.190 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.660 3.523 6.600 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.357 5.798 7.459 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.896 4.012 7.870 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.242 5.150 8.295 1.00 0.00 C ATOM 555 OH TYR A 34 -7.473 5.641 9.560 1.00 0.00 O ATOM 0 H TYR A 34 -5.037 2.325 2.523 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.109 5.071 3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.293 3.993 3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.613 2.533 4.367 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.437 5.815 5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.173 2.631 6.271 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.845 6.688 7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.589 3.506 8.527 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.123 5.069 10.019 1.00 0.00 H new ATOM 565 N VAL A 35 -3.344 4.615 5.284 1.00 0.00 N ATOM 566 CA VAL A 35 -2.273 4.386 6.248 1.00 0.00 C ATOM 567 C VAL A 35 -2.813 4.360 7.673 1.00 0.00 C ATOM 568 O VAL A 35 -2.979 5.404 8.303 1.00 0.00 O ATOM 569 CB VAL A 35 -1.183 5.469 6.143 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.012 5.110 7.012 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.761 5.661 4.694 1.00 0.00 C ATOM 0 H VAL A 35 -3.487 5.594 5.037 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.835 3.416 6.011 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.595 6.411 6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.772 5.887 6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.306 5.028 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.428 4.157 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.010 6.430 4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.367 4.723 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.623 5.968 4.102 1.00 0.00 H new ATOM 581 N GLU A 36 -3.085 3.160 8.176 1.00 0.00 N ATOM 582 CA GLU A 36 -3.607 2.999 9.528 1.00 0.00 C ATOM 583 C GLU A 36 -2.628 3.553 10.558 1.00 0.00 C ATOM 584 O GLU A 36 -1.652 2.896 10.919 1.00 0.00 O ATOM 585 CB GLU A 36 -3.889 1.523 9.817 1.00 0.00 C ATOM 586 CG GLU A 36 -4.291 1.251 11.257 1.00 0.00 C ATOM 587 CD GLU A 36 -5.790 1.335 11.471 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.444 2.143 10.780 1.00 0.00 O ATOM 589 OE2 GLU A 36 -6.308 0.590 12.329 1.00 0.00 O ATOM 0 H GLU A 36 -2.953 2.286 7.668 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.539 3.560 9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.683 1.177 9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.000 0.939 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.942 0.260 11.547 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.794 1.968 11.910 1.00 0.00 H new ATOM 596 N GLY A 37 -2.896 4.767 11.028 1.00 0.00 N ATOM 597 CA GLY A 37 -2.029 5.390 12.012 1.00 0.00 C ATOM 598 C GLY A 37 -1.886 6.883 11.796 1.00 0.00 C ATOM 599 O GLY A 37 -1.873 7.658 12.753 1.00 0.00 O ATOM 0 H GLY A 37 -3.698 5.331 10.745 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.427 5.207 13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.044 4.924 11.971 1.00 0.00 H new ATOM 603 N HIS A 38 -1.776 7.290 10.535 1.00 0.00 N ATOM 604 CA HIS A 38 -1.631 8.701 10.197 1.00 0.00 C ATOM 605 C HIS A 38 -2.840 9.197 9.409 1.00 0.00 C ATOM 606 O HIS A 38 -3.728 9.847 9.960 1.00 0.00 O ATOM 607 CB HIS A 38 -0.354 8.925 9.387 1.00 0.00 C ATOM 608 CG HIS A 38 0.900 8.661 10.162 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.086 9.323 9.922 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.149 7.803 11.179 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.010 8.881 10.757 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.467 7.959 11.530 1.00 0.00 N ATOM 0 H HIS A 38 -1.785 6.662 9.731 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.567 9.267 11.126 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.372 8.279 8.509 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.338 9.953 9.025 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.442 7.122 11.630 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.035 9.217 10.800 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.949 7.446 12.268 1.00 0.00 H new ATOM 620 N GLY A 39 -2.867 8.887 8.117 1.00 0.00 N ATOM 621 CA GLY A 39 -3.971 9.310 7.275 1.00 0.00 C ATOM 622 C GLY A 39 -4.057 8.514 5.988 1.00 0.00 C ATOM 623 O GLY A 39 -3.254 7.609 5.755 1.00 0.00 O ATOM 0 H GLY A 39 -2.144 8.350 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.905 9.205 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.858 10.368 7.037 1.00 0.00 H new ATOM 627 N TRP A 40 -5.032 8.849 5.151 1.00 0.00 N ATOM 628 CA TRP A 40 -5.221 8.156 3.881 1.00 0.00 C ATOM 629 C TRP A 40 -4.211 8.637 2.844 1.00 0.00 C ATOM 630 O TRP A 40 -3.934 9.832 2.742 1.00 0.00 O ATOM 631 CB TRP A 40 -6.644 8.374 3.365 1.00 0.00 C ATOM 632 CG TRP A 40 -7.634 7.397 3.924 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.247 7.458 5.143 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.124 6.214 3.285 1.00 0.00 C ATOM 635 NE1 TRP A 40 -9.088 6.384 5.300 1.00 0.00 N ATOM 636 CE2 TRP A 40 -9.032 5.606 4.174 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.887 5.609 2.047 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.699 4.423 3.864 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.549 4.436 1.741 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.447 3.853 2.646 1.00 0.00 C ATOM 0 H TRP A 40 -5.704 9.596 5.328 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.062 7.091 4.049 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.962 9.386 3.615 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.644 8.299 2.278 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -8.093 8.236 5.876 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.662 6.196 6.122 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.198 6.051 1.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.390 3.972 4.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.372 3.960 0.788 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -9.950 2.936 2.376 1.00 0.00 H new ATOM 651 N ARG A 41 -3.666 7.699 2.077 1.00 0.00 N ATOM 652 CA ARG A 41 -2.686 8.027 1.048 1.00 0.00 C ATOM 653 C ARG A 41 -3.127 7.496 -0.312 1.00 0.00 C ATOM 654 O ARG A 41 -4.106 6.757 -0.413 1.00 0.00 O ATOM 655 CB ARG A 41 -1.318 7.450 1.414 1.00 0.00 C ATOM 656 CG ARG A 41 -0.557 8.284 2.433 1.00 0.00 C ATOM 657 CD ARG A 41 0.163 9.450 1.772 1.00 0.00 C ATOM 658 NE ARG A 41 0.570 10.462 2.743 1.00 0.00 N ATOM 659 CZ ARG A 41 -0.286 11.232 3.404 1.00 0.00 C ATOM 660 NH1 ARG A 41 -1.590 11.106 3.202 1.00 0.00 N ATOM 661 NH2 ARG A 41 0.162 12.131 4.272 1.00 0.00 N ATOM 0 H ARG A 41 -3.886 6.706 2.148 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.610 9.113 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.452 6.443 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.717 7.360 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.249 8.662 3.186 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.166 7.655 2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.042 9.081 1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.490 9.904 1.027 1.00 0.00 H new ATOM 0 HE ARG A 41 1.567 10.584 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.939 10.416 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.245 11.699 3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.165 12.231 4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.496 12.722 4.779 1.00 0.00 H new ATOM 675 N ALA A 42 -2.398 7.877 -1.356 1.00 0.00 N ATOM 676 CA ALA A 42 -2.713 7.438 -2.709 1.00 0.00 C ATOM 677 C ALA A 42 -1.531 6.707 -3.338 1.00 0.00 C ATOM 678 O ALA A 42 -0.382 6.914 -2.947 1.00 0.00 O ATOM 679 CB ALA A 42 -3.119 8.626 -3.569 1.00 0.00 C ATOM 0 H ALA A 42 -1.585 8.489 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.550 6.742 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.351 8.283 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.998 9.105 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.299 9.343 -3.610 1.00 0.00 H new ATOM 685 N ILE A 43 -1.821 5.852 -4.313 1.00 0.00 N ATOM 686 CA ILE A 43 -0.782 5.092 -4.996 1.00 0.00 C ATOM 687 C ILE A 43 -0.380 5.762 -6.305 1.00 0.00 C ATOM 688 O ILE A 43 -1.234 6.165 -7.094 1.00 0.00 O ATOM 689 CB ILE A 43 -1.239 3.651 -5.289 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.588 2.928 -3.986 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.158 2.895 -6.046 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.041 1.499 -4.189 1.00 0.00 C ATOM 0 H ILE A 43 -2.767 5.668 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 43 0.078 5.063 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.132 3.690 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.716 2.934 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.375 3.481 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.497 1.878 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.047 3.401 -6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.752 2.863 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.271 1.050 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.932 1.485 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.247 0.931 -4.673 1.00 0.00 H new ATOM 704 N GLU A 44 0.925 5.876 -6.530 1.00 0.00 N ATOM 705 CA GLU A 44 1.439 6.496 -7.745 1.00 0.00 C ATOM 706 C GLU A 44 2.008 5.445 -8.694 1.00 0.00 C ATOM 707 O GLU A 44 1.801 5.510 -9.905 1.00 0.00 O ATOM 708 CB GLU A 44 2.517 7.526 -7.401 1.00 0.00 C ATOM 709 CG GLU A 44 2.003 8.694 -6.576 1.00 0.00 C ATOM 710 CD GLU A 44 1.142 9.645 -7.385 1.00 0.00 C ATOM 711 OE1 GLU A 44 1.433 9.833 -8.585 1.00 0.00 O ATOM 712 OE2 GLU A 44 0.179 10.203 -6.818 1.00 0.00 O ATOM 0 H GLU A 44 1.645 5.547 -5.887 1.00 0.00 H new ATOM 0 HA GLU A 44 0.611 7.000 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.319 7.031 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.950 7.908 -8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.425 8.313 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.849 9.241 -6.160 1.00 0.00 H new ATOM 719 N ASP A 45 2.727 4.479 -8.133 1.00 0.00 N ATOM 720 CA ASP A 45 3.327 3.413 -8.928 1.00 0.00 C ATOM 721 C ASP A 45 3.663 2.208 -8.056 1.00 0.00 C ATOM 722 O ASP A 45 4.409 2.322 -7.082 1.00 0.00 O ATOM 723 CB ASP A 45 4.589 3.919 -9.629 1.00 0.00 C ATOM 724 CG ASP A 45 4.843 3.210 -10.945 1.00 0.00 C ATOM 725 OD1 ASP A 45 5.164 2.003 -10.917 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.721 3.861 -12.003 1.00 0.00 O ATOM 0 H ASP A 45 2.909 4.412 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 45 2.602 3.103 -9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.497 4.990 -9.808 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.447 3.778 -8.972 1.00 0.00 H new ATOM 731 N LEU A 46 3.108 1.054 -8.410 1.00 0.00 N ATOM 732 CA LEU A 46 3.348 -0.173 -7.658 1.00 0.00 C ATOM 733 C LEU A 46 3.519 -1.362 -8.598 1.00 0.00 C ATOM 734 O LEU A 46 3.064 -1.333 -9.742 1.00 0.00 O ATOM 735 CB LEU A 46 2.193 -0.436 -6.690 1.00 0.00 C ATOM 736 CG LEU A 46 0.936 -1.059 -7.298 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.130 -2.553 -7.508 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.272 -0.796 -6.412 1.00 0.00 C ATOM 0 H LEU A 46 2.489 0.942 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 46 4.269 -0.047 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.552 -1.092 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.916 0.508 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 46 0.757 -0.596 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.226 -2.980 -7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.969 -2.720 -8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.334 -3.032 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.157 -1.247 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.103 -1.231 -5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.423 0.279 -6.312 1.00 0.00 H new ATOM 750 N TYR A 47 4.176 -2.407 -8.107 1.00 0.00 N ATOM 751 CA TYR A 47 4.408 -3.607 -8.903 1.00 0.00 C ATOM 752 C TYR A 47 4.913 -4.751 -8.030 1.00 0.00 C ATOM 753 O TYR A 47 5.680 -4.538 -7.091 1.00 0.00 O ATOM 754 CB TYR A 47 5.416 -3.318 -10.017 1.00 0.00 C ATOM 755 CG TYR A 47 6.484 -2.323 -9.625 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.435 -2.639 -8.662 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.544 -1.068 -10.218 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.412 -1.732 -8.300 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.519 -0.156 -9.863 1.00 0.00 C ATOM 760 CZ TYR A 47 8.450 -0.493 -8.903 1.00 0.00 C ATOM 761 OH TYR A 47 9.424 0.413 -8.546 1.00 0.00 O ATOM 0 H TYR A 47 4.557 -2.448 -7.162 1.00 0.00 H new ATOM 0 HA TYR A 47 3.459 -3.906 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.893 -4.252 -10.315 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.882 -2.940 -10.889 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.410 -3.610 -8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.816 -0.801 -10.969 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.142 -1.992 -7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.552 0.815 -10.334 1.00 0.00 H new ATOM 0 HH TYR A 47 9.134 0.910 -7.753 1.00 0.00 H new ATOM 771 N ARG A 48 4.476 -5.966 -8.346 1.00 0.00 N ATOM 772 CA ARG A 48 4.882 -7.145 -7.591 1.00 0.00 C ATOM 773 C ARG A 48 6.283 -7.594 -7.997 1.00 0.00 C ATOM 774 O ARG A 48 6.467 -8.223 -9.039 1.00 0.00 O ATOM 775 CB ARG A 48 3.886 -8.285 -7.810 1.00 0.00 C ATOM 776 CG ARG A 48 3.810 -8.759 -9.252 1.00 0.00 C ATOM 777 CD ARG A 48 2.472 -9.417 -9.552 1.00 0.00 C ATOM 778 NE ARG A 48 2.269 -10.629 -8.761 1.00 0.00 N ATOM 779 CZ ARG A 48 1.307 -11.512 -9.004 1.00 0.00 C ATOM 780 NH1 ARG A 48 0.464 -11.320 -10.010 1.00 0.00 N ATOM 781 NH2 ARG A 48 1.186 -12.590 -8.240 1.00 0.00 N ATOM 0 H ARG A 48 3.841 -6.159 -9.120 1.00 0.00 H new ATOM 0 HA ARG A 48 4.895 -6.882 -6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.164 -9.126 -7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.896 -7.958 -7.491 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.959 -7.913 -9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.616 -9.466 -9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.667 -8.711 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.418 -9.663 -10.613 1.00 0.00 H new ATOM 0 HE ARG A 48 2.900 -10.806 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.554 -10.492 -10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.274 -12.000 -10.194 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.832 -12.741 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.447 -13.268 -8.427 1.00 0.00 H new ATOM 795 N VAL A 49 7.268 -7.267 -7.166 1.00 0.00 N ATOM 796 CA VAL A 49 8.651 -7.637 -7.438 1.00 0.00 C ATOM 797 C VAL A 49 8.948 -9.050 -6.948 1.00 0.00 C ATOM 798 O VAL A 49 8.990 -9.306 -5.746 1.00 0.00 O ATOM 799 CB VAL A 49 9.636 -6.657 -6.771 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.065 -7.158 -6.912 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.488 -5.266 -7.368 1.00 0.00 C ATOM 0 H VAL A 49 7.133 -6.747 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 49 8.783 -7.595 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 49 9.401 -6.598 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.746 -6.453 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.158 -8.133 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.317 -7.247 -7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.191 -4.586 -6.886 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.696 -5.305 -8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.471 -4.908 -7.209 1.00 0.00 H new ATOM 811 N GLY A 50 9.154 -9.966 -7.890 1.00 0.00 N ATOM 812 CA GLY A 50 9.445 -11.342 -7.536 1.00 0.00 C ATOM 813 C GLY A 50 8.360 -11.961 -6.677 1.00 0.00 C ATOM 814 O GLY A 50 7.292 -12.316 -7.175 1.00 0.00 O ATOM 0 H GLY A 50 9.124 -9.779 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.564 -11.931 -8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.395 -11.384 -7.003 1.00 0.00 H new ATOM 818 N GLU A 51 8.635 -12.093 -5.383 1.00 0.00 N ATOM 819 CA GLU A 51 7.674 -12.677 -4.454 1.00 0.00 C ATOM 820 C GLU A 51 7.202 -11.641 -3.438 1.00 0.00 C ATOM 821 O GLU A 51 6.863 -11.979 -2.304 1.00 0.00 O ATOM 822 CB GLU A 51 8.293 -13.873 -3.729 1.00 0.00 C ATOM 823 CG GLU A 51 8.732 -14.990 -4.662 1.00 0.00 C ATOM 824 CD GLU A 51 9.179 -16.232 -3.916 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.364 -16.297 -3.527 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.343 -17.139 -3.721 1.00 0.00 O ATOM 0 H GLU A 51 9.514 -11.804 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 51 6.812 -13.017 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.154 -13.532 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.570 -14.269 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.908 -15.247 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.549 -14.634 -5.290 1.00 0.00 H new ATOM 833 N GLU A 52 7.183 -10.378 -3.854 1.00 0.00 N ATOM 834 CA GLU A 52 6.754 -9.293 -2.979 1.00 0.00 C ATOM 835 C GLU A 52 6.152 -8.148 -3.788 1.00 0.00 C ATOM 836 O GLU A 52 6.125 -8.189 -5.019 1.00 0.00 O ATOM 837 CB GLU A 52 7.933 -8.781 -2.149 1.00 0.00 C ATOM 838 CG GLU A 52 8.601 -9.859 -1.312 1.00 0.00 C ATOM 839 CD GLU A 52 9.482 -9.285 -0.219 1.00 0.00 C ATOM 840 OE1 GLU A 52 10.618 -8.870 -0.530 1.00 0.00 O ATOM 841 OE2 GLU A 52 9.037 -9.252 0.947 1.00 0.00 O ATOM 0 H GLU A 52 7.459 -10.082 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 52 5.989 -9.683 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.673 -8.341 -2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.585 -7.985 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.836 -10.491 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.201 -10.497 -1.960 1.00 0.00 H new ATOM 848 N LEU A 53 5.669 -7.127 -3.088 1.00 0.00 N ATOM 849 CA LEU A 53 5.066 -5.970 -3.740 1.00 0.00 C ATOM 850 C LEU A 53 5.625 -4.671 -3.170 1.00 0.00 C ATOM 851 O LEU A 53 5.848 -4.555 -1.965 1.00 0.00 O ATOM 852 CB LEU A 53 3.546 -6.000 -3.573 1.00 0.00 C ATOM 853 CG LEU A 53 2.760 -6.669 -4.702 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.500 -7.327 -4.159 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.411 -5.656 -5.782 1.00 0.00 C ATOM 0 H LEU A 53 5.683 -7.077 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 53 5.310 -6.015 -4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.313 -6.514 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.192 -4.975 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 53 3.387 -7.442 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.954 -7.798 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.773 -8.083 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.869 -6.573 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.852 -6.150 -6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.803 -4.860 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.327 -5.231 -6.192 1.00 0.00 H new ATOM 867 N VAL A 54 5.849 -3.694 -4.044 1.00 0.00 N ATOM 868 CA VAL A 54 6.379 -2.402 -3.627 1.00 0.00 C ATOM 869 C VAL A 54 5.467 -1.264 -4.073 1.00 0.00 C ATOM 870 O VAL A 54 5.453 -0.889 -5.245 1.00 0.00 O ATOM 871 CB VAL A 54 7.791 -2.165 -4.194 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.340 -0.828 -3.721 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.721 -3.302 -3.798 1.00 0.00 C ATOM 0 H VAL A 54 5.671 -3.774 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 54 6.430 -2.418 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 54 7.727 -2.139 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.338 -0.679 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.685 -0.025 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.391 -0.820 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.715 -3.119 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.781 -3.361 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.335 -4.242 -4.192 1.00 0.00 H new ATOM 883 N VAL A 55 4.707 -0.718 -3.129 1.00 0.00 N ATOM 884 CA VAL A 55 3.793 0.379 -3.424 1.00 0.00 C ATOM 885 C VAL A 55 4.447 1.728 -3.151 1.00 0.00 C ATOM 886 O VAL A 55 5.071 1.929 -2.108 1.00 0.00 O ATOM 887 CB VAL A 55 2.500 0.271 -2.593 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.673 1.540 -2.724 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.694 -0.947 -3.019 1.00 0.00 C ATOM 0 H VAL A 55 4.706 -1.017 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 55 3.544 0.307 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 55 2.772 0.150 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.764 1.445 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.253 2.391 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.409 1.696 -3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.784 -1.008 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.431 -0.859 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.289 -1.848 -2.867 1.00 0.00 H new ATOM 899 N HIS A 56 4.301 2.652 -4.095 1.00 0.00 N ATOM 900 CA HIS A 56 4.878 3.985 -3.957 1.00 0.00 C ATOM 901 C HIS A 56 3.796 5.016 -3.652 1.00 0.00 C ATOM 902 O HIS A 56 3.048 5.429 -4.540 1.00 0.00 O ATOM 903 CB HIS A 56 5.626 4.375 -5.232 1.00 0.00 C ATOM 904 CG HIS A 56 6.842 3.540 -5.493 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.121 4.055 -5.500 1.00 0.00 N ATOM 906 CD2 HIS A 56 6.968 2.218 -5.755 1.00 0.00 C ATOM 907 CE1 HIS A 56 8.982 3.087 -5.757 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.308 1.962 -5.915 1.00 0.00 N ATOM 0 H HIS A 56 3.788 2.503 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 56 5.581 3.965 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.948 4.290 -6.081 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.922 5.422 -5.164 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.364 5.031 -5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.165 1.499 -5.825 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.054 3.197 -5.826 1.00 0.00 H new ATOM 916 N LEU A 57 3.716 5.428 -2.392 1.00 0.00 N ATOM 917 CA LEU A 57 2.725 6.411 -1.969 1.00 0.00 C ATOM 918 C LEU A 57 3.048 7.790 -2.536 1.00 0.00 C ATOM 919 O LEU A 57 4.212 8.121 -2.762 1.00 0.00 O ATOM 920 CB LEU A 57 2.662 6.477 -0.442 1.00 0.00 C ATOM 921 CG LEU A 57 2.416 5.150 0.277 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.414 5.353 1.785 1.00 0.00 C ATOM 923 CD2 LEU A 57 1.105 4.529 -0.181 1.00 0.00 C ATOM 0 H LEU A 57 4.326 5.096 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 57 1.754 6.099 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.600 6.897 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.871 7.172 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 57 3.226 4.466 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.238 4.398 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.378 5.752 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.625 6.054 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.947 3.586 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.283 5.209 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.144 4.347 -1.255 1.00 0.00 H new ATOM 935 N ALA A 58 2.011 8.589 -2.762 1.00 0.00 N ATOM 936 CA ALA A 58 2.185 9.933 -3.298 1.00 0.00 C ATOM 937 C ALA A 58 2.850 10.850 -2.277 1.00 0.00 C ATOM 938 O ALA A 58 2.373 10.990 -1.151 1.00 0.00 O ATOM 939 CB ALA A 58 0.844 10.507 -3.731 1.00 0.00 C ATOM 0 H ALA A 58 1.041 8.329 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 58 2.838 9.868 -4.168 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.990 11.511 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.408 9.871 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.173 10.551 -2.873 1.00 0.00 H new ATOM 945 N GLY A 59 3.954 11.473 -2.677 1.00 0.00 N ATOM 946 CA GLY A 59 4.667 12.367 -1.784 1.00 0.00 C ATOM 947 C GLY A 59 5.981 11.783 -1.305 1.00 0.00 C ATOM 948 O GLY A 59 7.027 12.425 -1.403 1.00 0.00 O ATOM 0 H GLY A 59 4.368 11.374 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.858 13.310 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.038 12.593 -0.923 1.00 0.00 H new ATOM 952 N VAL A 60 5.928 10.562 -0.782 1.00 0.00 N ATOM 953 CA VAL A 60 7.124 9.891 -0.285 1.00 0.00 C ATOM 954 C VAL A 60 8.163 9.730 -1.389 1.00 0.00 C ATOM 955 O VAL A 60 8.078 8.816 -2.210 1.00 0.00 O ATOM 956 CB VAL A 60 6.789 8.504 0.295 1.00 0.00 C ATOM 957 CG1 VAL A 60 8.059 7.776 0.706 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.836 8.637 1.474 1.00 0.00 C ATOM 0 H VAL A 60 5.070 10.017 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 60 7.533 10.519 0.506 1.00 0.00 H new ATOM 0 HB VAL A 60 6.296 7.915 -0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.802 6.798 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.703 7.649 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.583 8.358 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.609 7.648 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.301 9.243 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.914 9.115 1.144 1.00 0.00 H new ATOM 968 N THR A 61 9.146 10.625 -1.403 1.00 0.00 N ATOM 969 CA THR A 61 10.203 10.583 -2.406 1.00 0.00 C ATOM 970 C THR A 61 11.578 10.503 -1.754 1.00 0.00 C ATOM 971 O THR A 61 12.569 10.975 -2.311 1.00 0.00 O ATOM 972 CB THR A 61 10.154 11.819 -3.325 1.00 0.00 C ATOM 973 OG1 THR A 61 10.276 13.014 -2.545 1.00 0.00 O ATOM 974 CG2 THR A 61 8.856 11.855 -4.116 1.00 0.00 C ATOM 0 H THR A 61 9.232 11.388 -0.731 1.00 0.00 H new ATOM 0 HA THR A 61 10.036 9.687 -3.004 1.00 0.00 H new ATOM 0 HB THR A 61 10.986 11.756 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.246 13.795 -3.136 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.845 12.736 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.780 10.958 -4.731 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.012 11.896 -3.428 1.00 0.00 H new ATOM 982 N ASP A 62 11.632 9.902 -0.570 1.00 0.00 N ATOM 983 CA ASP A 62 12.887 9.758 0.158 1.00 0.00 C ATOM 984 C ASP A 62 12.783 8.654 1.206 1.00 0.00 C ATOM 985 O ASP A 62 11.710 8.403 1.753 1.00 0.00 O ATOM 986 CB ASP A 62 13.267 11.079 0.827 1.00 0.00 C ATOM 987 CG ASP A 62 12.071 11.787 1.432 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.412 12.562 0.707 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.794 11.568 2.630 1.00 0.00 O ATOM 0 H ASP A 62 10.821 9.507 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 62 13.664 9.485 -0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.005 10.889 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.739 11.732 0.093 1.00 0.00 H new ATOM 994 N ARG A 63 13.906 7.997 1.479 1.00 0.00 N ATOM 995 CA ARG A 63 13.941 6.918 2.459 1.00 0.00 C ATOM 996 C ARG A 63 13.298 7.355 3.771 1.00 0.00 C ATOM 997 O ARG A 63 12.610 6.574 4.429 1.00 0.00 O ATOM 998 CB ARG A 63 15.384 6.474 2.709 1.00 0.00 C ATOM 999 CG ARG A 63 15.502 5.048 3.220 1.00 0.00 C ATOM 1000 CD ARG A 63 16.950 4.672 3.493 1.00 0.00 C ATOM 1001 NE ARG A 63 17.058 3.500 4.358 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.200 3.088 4.897 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.325 3.749 4.663 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.217 2.012 5.674 1.00 0.00 N ATOM 0 H ARG A 63 14.803 8.193 1.035 1.00 0.00 H new ATOM 0 HA ARG A 63 13.374 6.078 2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.950 6.567 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.843 7.149 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.918 4.938 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.079 4.361 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.457 4.473 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.462 5.514 3.959 1.00 0.00 H new ATOM 0 HE ARG A 63 16.211 2.969 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.316 4.577 4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.200 3.430 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.353 1.502 5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.094 1.696 6.088 1.00 0.00 H new ATOM 1018 N THR A 64 13.526 8.610 4.148 1.00 0.00 N ATOM 1019 CA THR A 64 12.970 9.151 5.382 1.00 0.00 C ATOM 1020 C THR A 64 11.450 9.042 5.394 1.00 0.00 C ATOM 1021 O THR A 64 10.877 8.291 6.185 1.00 0.00 O ATOM 1022 CB THR A 64 13.370 10.625 5.579 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.796 10.750 5.583 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.805 11.169 6.882 1.00 0.00 C ATOM 0 H THR A 64 14.092 9.271 3.616 1.00 0.00 H new ATOM 0 HA THR A 64 13.380 8.559 6.200 1.00 0.00 H new ATOM 0 HB THR A 64 12.958 11.204 4.752 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.042 11.691 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.101 12.212 7.000 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.717 11.100 6.864 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.192 10.586 7.718 1.00 0.00 H new ATOM 1032 N LEU A 65 10.800 9.795 4.513 1.00 0.00 N ATOM 1033 CA LEU A 65 9.345 9.782 4.422 1.00 0.00 C ATOM 1034 C LEU A 65 8.810 8.354 4.438 1.00 0.00 C ATOM 1035 O LEU A 65 7.797 8.067 5.075 1.00 0.00 O ATOM 1036 CB LEU A 65 8.887 10.496 3.149 1.00 0.00 C ATOM 1037 CG LEU A 65 8.918 12.024 3.188 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.645 12.599 1.807 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.908 12.552 4.197 1.00 0.00 C ATOM 0 H LEU A 65 11.258 10.422 3.852 1.00 0.00 H new ATOM 0 HA LEU A 65 8.948 10.309 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.514 10.161 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.868 10.179 2.925 1.00 0.00 H new ATOM 0 HG LEU A 65 9.913 12.340 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.671 13.688 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.406 12.248 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.662 12.274 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.944 13.641 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.907 12.225 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.149 12.168 5.188 1.00 0.00 H new ATOM 1051 N ALA A 66 9.500 7.462 3.735 1.00 0.00 N ATOM 1052 CA ALA A 66 9.097 6.062 3.671 1.00 0.00 C ATOM 1053 C ALA A 66 9.178 5.405 5.045 1.00 0.00 C ATOM 1054 O ALA A 66 8.170 4.949 5.585 1.00 0.00 O ATOM 1055 CB ALA A 66 9.962 5.309 2.672 1.00 0.00 C ATOM 0 H ALA A 66 10.341 7.684 3.202 1.00 0.00 H new ATOM 0 HA ALA A 66 8.060 6.023 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.650 4.265 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.851 5.757 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.006 5.365 2.980 1.00 0.00 H new ATOM 1061 N GLU A 67 10.383 5.360 5.605 1.00 0.00 N ATOM 1062 CA GLU A 67 10.594 4.756 6.915 1.00 0.00 C ATOM 1063 C GLU A 67 9.492 5.168 7.887 1.00 0.00 C ATOM 1064 O GLU A 67 9.074 4.382 8.737 1.00 0.00 O ATOM 1065 CB GLU A 67 11.960 5.161 7.474 1.00 0.00 C ATOM 1066 CG GLU A 67 13.082 4.216 7.080 1.00 0.00 C ATOM 1067 CD GLU A 67 14.252 4.265 8.045 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.863 5.346 8.179 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.555 3.225 8.664 1.00 0.00 O ATOM 0 H GLU A 67 11.227 5.734 5.172 1.00 0.00 H new ATOM 0 HA GLU A 67 10.565 3.673 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.203 6.165 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.899 5.207 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.695 3.198 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.431 4.469 6.079 1.00 0.00 H new ATOM 1076 N ALA A 68 9.028 6.407 7.756 1.00 0.00 N ATOM 1077 CA ALA A 68 7.975 6.923 8.621 1.00 0.00 C ATOM 1078 C ALA A 68 6.701 6.094 8.491 1.00 0.00 C ATOM 1079 O ALA A 68 6.014 5.834 9.479 1.00 0.00 O ATOM 1080 CB ALA A 68 7.692 8.382 8.295 1.00 0.00 C ATOM 0 H ALA A 68 9.365 7.071 7.059 1.00 0.00 H new ATOM 0 HA ALA A 68 8.320 6.852 9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.903 8.755 8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.597 8.971 8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.373 8.467 7.256 1.00 0.00 H new ATOM 1086 N LEU A 69 6.392 5.683 7.266 1.00 0.00 N ATOM 1087 CA LEU A 69 5.200 4.883 7.006 1.00 0.00 C ATOM 1088 C LEU A 69 5.548 3.402 6.908 1.00 0.00 C ATOM 1089 O LEU A 69 4.858 2.633 6.238 1.00 0.00 O ATOM 1090 CB LEU A 69 4.522 5.346 5.715 1.00 0.00 C ATOM 1091 CG LEU A 69 4.031 6.794 5.697 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.642 7.208 4.286 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.858 6.972 6.650 1.00 0.00 C ATOM 0 H LEU A 69 6.950 5.890 6.438 1.00 0.00 H new ATOM 0 HA LEU A 69 4.512 5.021 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.223 5.211 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.672 4.693 5.520 1.00 0.00 H new ATOM 0 HG LEU A 69 4.845 7.438 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.295 8.241 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.508 7.120 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.844 6.560 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.522 8.009 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.041 6.318 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.170 6.717 7.663 1.00 0.00 H new ATOM 1105 N VAL A 70 6.624 3.006 7.581 1.00 0.00 N ATOM 1106 CA VAL A 70 7.063 1.616 7.573 1.00 0.00 C ATOM 1107 C VAL A 70 6.653 0.902 8.856 1.00 0.00 C ATOM 1108 O VAL A 70 7.064 1.284 9.950 1.00 0.00 O ATOM 1109 CB VAL A 70 8.591 1.511 7.406 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.081 0.134 7.829 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.991 1.810 5.969 1.00 0.00 C ATOM 0 H VAL A 70 7.208 3.629 8.139 1.00 0.00 H new ATOM 0 HA VAL A 70 6.578 1.136 6.723 1.00 0.00 H new ATOM 0 HB VAL A 70 9.062 2.252 8.052 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.162 0.078 7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.827 -0.037 8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.605 -0.627 7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.074 1.731 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.512 1.094 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.675 2.819 5.706 1.00 0.00 H new ATOM 1121 N GLY A 71 5.838 -0.139 8.713 1.00 0.00 N ATOM 1122 CA GLY A 71 5.385 -0.891 9.869 1.00 0.00 C ATOM 1123 C GLY A 71 3.874 -0.921 9.985 1.00 0.00 C ATOM 1124 O GLY A 71 3.293 -1.940 10.361 1.00 0.00 O ATOM 0 H GLY A 71 5.483 -0.475 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.762 -1.912 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.807 -0.451 10.773 1.00 0.00 H new ATOM 1128 N LEU A 72 3.235 0.198 9.663 1.00 0.00 N ATOM 1129 CA LEU A 72 1.781 0.296 9.735 1.00 0.00 C ATOM 1130 C LEU A 72 1.122 -0.650 8.737 1.00 0.00 C ATOM 1131 O LEU A 72 1.792 -1.243 7.892 1.00 0.00 O ATOM 1132 CB LEU A 72 1.334 1.734 9.465 1.00 0.00 C ATOM 1133 CG LEU A 72 1.836 2.790 10.450 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.511 4.187 9.947 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.231 2.563 11.828 1.00 0.00 C ATOM 0 H LEU A 72 3.700 1.050 9.350 1.00 0.00 H new ATOM 0 HA LEU A 72 1.470 0.008 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.664 2.014 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.244 1.760 9.460 1.00 0.00 H new ATOM 0 HG LEU A 72 2.919 2.699 10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.876 4.925 10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.992 4.347 8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.432 4.292 9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.599 3.323 12.517 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.145 2.627 11.764 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.515 1.576 12.192 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.197 -0.784 8.840 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.947 -1.658 7.946 1.00 0.00 C ATOM 1149 C ARG A 73 -1.795 -0.842 6.974 1.00 0.00 C ATOM 1150 O ARG A 73 -2.355 0.192 7.339 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.843 -2.600 8.752 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.070 -3.585 9.615 1.00 0.00 C ATOM 1153 CD ARG A 73 -0.770 -3.005 10.988 1.00 0.00 C ATOM 1154 NE ARG A 73 0.094 -3.881 11.775 1.00 0.00 N ATOM 1155 CZ ARG A 73 0.714 -3.498 12.886 1.00 0.00 C ATOM 1156 NH1 ARG A 73 0.565 -2.260 13.339 1.00 0.00 N ATOM 1157 NH2 ARG A 73 1.483 -4.353 13.547 1.00 0.00 N ATOM 0 H ARG A 73 -0.767 -0.299 9.533 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.233 -2.249 7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.498 -2.007 9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.483 -3.155 8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.646 -4.504 9.725 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.136 -3.851 9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.292 -2.032 10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.705 -2.841 11.524 1.00 0.00 H new ATOM 0 HE ARG A 73 0.229 -4.840 11.454 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.027 -1.600 12.834 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.042 -1.968 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.599 -5.306 13.203 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.958 -4.057 14.400 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.883 -1.313 5.734 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.662 -0.628 4.710 1.00 0.00 C ATOM 1173 C VAL A 74 -4.076 -1.193 4.625 1.00 0.00 C ATOM 1174 O VAL A 74 -4.269 -2.408 4.586 1.00 0.00 O ATOM 1175 CB VAL A 74 -1.993 -0.740 3.327 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.822 -0.024 2.272 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.578 -0.182 3.374 1.00 0.00 C ATOM 0 H VAL A 74 -1.424 -2.166 5.415 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.710 0.422 4.999 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.936 -1.794 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.333 -0.114 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.814 -0.473 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.914 1.030 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.120 -0.269 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.610 0.867 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.011 -0.744 4.099 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.062 -0.303 4.596 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.459 -0.713 4.517 1.00 0.00 C ATOM 1189 C TYR A 75 -7.044 -0.391 3.145 1.00 0.00 C ATOM 1190 O TYR A 75 -6.600 0.537 2.471 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.277 -0.020 5.608 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.073 -0.611 6.985 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.883 -0.420 7.676 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.072 -1.359 7.596 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.693 -0.959 8.933 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.891 -1.901 8.854 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.700 -1.698 9.518 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.514 -2.235 10.771 1.00 0.00 O ATOM 0 H TYR A 75 -4.920 0.707 4.626 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.505 -1.792 4.667 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.012 1.037 5.633 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.334 -0.078 5.350 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.093 0.160 7.222 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.006 -1.520 7.079 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.761 -0.803 9.455 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.678 -2.480 9.314 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.407 -1.512 11.424 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.045 -1.167 2.740 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.694 -0.964 1.451 1.00 0.00 C ATOM 1210 C ALA A 76 -10.183 -0.682 1.624 1.00 0.00 C ATOM 1211 O ALA A 76 -10.754 -0.943 2.683 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.486 -2.179 0.559 1.00 0.00 C ATOM 0 H ALA A 76 -8.423 -1.941 3.286 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.239 -0.095 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.976 -2.014 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.419 -2.335 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.914 -3.060 1.038 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.805 -0.148 0.578 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.227 0.171 0.617 1.00 0.00 C ATOM 1220 C GLU A 77 -12.980 -0.567 -0.486 1.00 0.00 C ATOM 1221 O GLU A 77 -12.672 -0.420 -1.669 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.439 1.679 0.473 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.683 2.190 1.182 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.075 3.586 0.738 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.653 3.719 -0.360 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -13.804 4.545 1.491 1.00 0.00 O ATOM 0 H GLU A 77 -10.347 0.073 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.619 -0.153 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.566 2.199 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.506 1.928 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.511 1.507 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.509 2.190 2.258 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.969 -1.362 -0.090 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.767 -2.123 -1.044 1.00 0.00 C ATOM 1235 C VAL A 78 -15.391 -1.208 -2.092 1.00 0.00 C ATOM 1236 O VAL A 78 -15.545 -1.590 -3.252 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.885 -2.913 -0.337 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.553 -3.876 -1.306 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.331 -3.655 0.869 1.00 0.00 C ATOM 0 H VAL A 78 -14.237 -1.496 0.885 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.091 -2.824 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.639 -2.208 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.340 -4.425 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.986 -3.316 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.813 -4.578 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.134 -4.208 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.557 -4.350 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.904 -2.940 1.572 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.748 0.002 -1.676 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.353 0.974 -2.579 1.00 0.00 C ATOM 1251 C ALA A 79 -15.641 0.986 -3.928 1.00 0.00 C ATOM 1252 O ALA A 79 -16.266 1.193 -4.968 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.329 2.361 -1.955 1.00 0.00 C ATOM 0 H ALA A 79 -15.629 0.333 -0.719 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.390 0.682 -2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.784 3.076 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.888 2.349 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.298 2.653 -1.757 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.332 0.764 -3.903 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.535 0.750 -5.124 1.00 0.00 C ATOM 1261 C ASP A 80 -13.367 -0.674 -5.646 1.00 0.00 C ATOM 1262 O ASP A 80 -13.423 -0.915 -6.853 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.165 1.379 -4.872 1.00 0.00 C ATOM 1264 CG ASP A 80 -12.265 2.823 -4.421 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -13.190 3.525 -4.881 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.418 3.253 -3.610 1.00 0.00 O ATOM 0 H ASP A 80 -13.800 0.591 -3.050 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.061 1.335 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.637 0.800 -4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.571 1.327 -5.784 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.158 -1.613 -4.730 1.00 0.00 N ATOM 1272 CA LEU A 81 -12.980 -3.014 -5.097 1.00 0.00 C ATOM 1273 C LEU A 81 -13.896 -3.394 -6.256 1.00 0.00 C ATOM 1274 O LEU A 81 -15.005 -2.877 -6.398 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.259 -3.917 -3.894 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.224 -3.875 -2.770 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.601 -4.845 -1.661 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.837 -4.193 -3.310 1.00 0.00 C ATOM 0 H LEU A 81 -13.108 -1.430 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.946 -3.152 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.229 -3.645 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.341 -4.945 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.208 -2.868 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.853 -4.801 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.575 -4.573 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.646 -5.857 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.113 -4.159 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.838 -5.189 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.565 -3.459 -4.069 1.00 0.00 H new