USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 681 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 -97:sc= 0.362 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -1.22 X(o=-0.86,f=-0.49) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.074) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.104 (180deg=-0.599) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00912) 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= -1.49 K(o=-1.5,f=-0.018) 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 87:sc= 0.62 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.208 3.505 8.524 1.00 0.00 N ATOM 2 CA MET A 1 -16.160 3.286 7.534 1.00 0.00 C ATOM 3 C MET A 1 -15.795 1.808 7.446 1.00 0.00 C ATOM 4 O MET A 1 -14.892 1.340 8.139 1.00 0.00 O ATOM 5 CB MET A 1 -14.919 4.110 7.883 1.00 0.00 C ATOM 6 CG MET A 1 -15.147 5.611 7.817 1.00 0.00 C ATOM 7 SD MET A 1 -14.085 6.526 8.951 1.00 0.00 S ATOM 8 CE MET A 1 -12.464 6.040 8.362 1.00 0.00 C ATOM 0 H1 MET A 1 -17.751 4.356 8.272 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.844 2.682 8.545 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.778 3.634 9.462 1.00 0.00 H new ATOM 0 HA MET A 1 -16.539 3.606 6.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.588 3.845 8.887 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.112 3.843 7.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.968 5.957 6.799 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.190 5.827 8.049 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.703 6.655 8.842 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.288 4.992 8.604 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.413 6.177 7.282 1.00 0.00 H new ATOM 18 N ARG A 2 -16.504 1.078 6.591 1.00 0.00 N ATOM 19 CA ARG A 2 -16.255 -0.348 6.415 1.00 0.00 C ATOM 20 C ARG A 2 -14.964 -0.583 5.635 1.00 0.00 C ATOM 21 O ARG A 2 -14.982 -0.719 4.411 1.00 0.00 O ATOM 22 CB ARG A 2 -17.429 -1.006 5.688 1.00 0.00 C ATOM 23 CG ARG A 2 -18.744 -0.911 6.444 1.00 0.00 C ATOM 24 CD ARG A 2 -19.807 -1.808 5.829 1.00 0.00 C ATOM 25 NE ARG A 2 -20.894 -2.088 6.763 1.00 0.00 N ATOM 26 CZ ARG A 2 -21.767 -1.173 7.170 1.00 0.00 C ATOM 27 NH1 ARG A 2 -21.680 0.074 6.728 1.00 0.00 N ATOM 28 NH2 ARG A 2 -22.729 -1.504 8.021 1.00 0.00 N ATOM 0 H ARG A 2 -17.255 1.450 6.010 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.149 -0.797 7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -17.547 -0.539 4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -17.195 -2.056 5.514 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -18.587 -1.192 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.092 0.122 6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -20.211 -1.332 4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -19.351 -2.746 5.512 1.00 0.00 H new ATOM 0 HE ARG A 2 -20.988 -3.038 7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -20.941 0.333 6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -22.352 0.774 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -22.799 -2.462 8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -23.399 -0.800 8.333 1.00 0.00 H new ATOM 42 N LEU A 3 -13.847 -0.628 6.352 1.00 0.00 N ATOM 43 CA LEU A 3 -12.546 -0.846 5.728 1.00 0.00 C ATOM 44 C LEU A 3 -12.076 -2.282 5.936 1.00 0.00 C ATOM 45 O LEU A 3 -12.526 -2.967 6.854 1.00 0.00 O ATOM 46 CB LEU A 3 -11.515 0.129 6.299 1.00 0.00 C ATOM 47 CG LEU A 3 -11.867 1.613 6.199 1.00 0.00 C ATOM 48 CD1 LEU A 3 -10.863 2.454 6.972 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.921 2.051 4.742 1.00 0.00 C ATOM 0 H LEU A 3 -13.815 -0.517 7.365 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.650 -0.669 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.356 -0.116 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.567 -0.034 5.786 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.852 1.763 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.130 3.507 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.872 2.159 8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.866 2.299 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.173 3.110 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.950 1.886 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.679 1.471 4.216 1.00 0.00 H new ATOM 61 N VAL A 4 -11.165 -2.731 5.079 1.00 0.00 N ATOM 62 CA VAL A 4 -10.630 -4.084 5.171 1.00 0.00 C ATOM 63 C VAL A 4 -9.133 -4.105 4.881 1.00 0.00 C ATOM 64 O VAL A 4 -8.676 -3.537 3.890 1.00 0.00 O ATOM 65 CB VAL A 4 -11.344 -5.038 4.194 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.807 -5.198 4.578 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.211 -4.533 2.765 1.00 0.00 C ATOM 0 H VAL A 4 -10.782 -2.177 4.313 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.804 -4.424 6.192 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.868 -6.017 4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.295 -5.875 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.876 -5.607 5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.300 -4.226 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.721 -5.218 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.660 -3.543 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.156 -4.475 2.496 1.00 0.00 H new ATOM 77 N GLU A 5 -8.376 -4.764 5.752 1.00 0.00 N ATOM 78 CA GLU A 5 -6.930 -4.858 5.589 1.00 0.00 C ATOM 79 C GLU A 5 -6.573 -5.768 4.418 1.00 0.00 C ATOM 80 O GLU A 5 -7.106 -6.871 4.290 1.00 0.00 O ATOM 81 CB GLU A 5 -6.282 -5.381 6.873 1.00 0.00 C ATOM 82 CG GLU A 5 -4.782 -5.592 6.755 1.00 0.00 C ATOM 83 CD GLU A 5 -4.186 -6.242 7.989 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.692 -7.306 8.401 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.215 -5.686 8.542 1.00 0.00 O ATOM 0 H GLU A 5 -8.740 -5.240 6.577 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.548 -3.859 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.479 -4.678 7.682 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.753 -6.325 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.574 -6.214 5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.296 -4.631 6.584 1.00 0.00 H new ATOM 92 N ILE A 6 -5.668 -5.298 3.565 1.00 0.00 N ATOM 93 CA ILE A 6 -5.239 -6.070 2.405 1.00 0.00 C ATOM 94 C ILE A 6 -3.772 -6.470 2.523 1.00 0.00 C ATOM 95 O ILE A 6 -3.387 -7.575 2.143 1.00 0.00 O ATOM 96 CB ILE A 6 -5.441 -5.281 1.098 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.869 -3.868 1.236 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.918 -5.227 0.735 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.743 -3.136 -0.081 1.00 0.00 C ATOM 0 H ILE A 6 -5.218 -4.387 3.656 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.857 -6.968 2.377 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.908 -5.792 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.508 -3.290 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.887 -3.927 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.045 -4.666 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.297 -6.240 0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.472 -4.736 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.331 -2.142 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.081 -3.692 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.726 -3.046 -0.543 1.00 0.00 H new ATOM 111 N GLY A 7 -2.958 -5.563 3.054 1.00 0.00 N ATOM 112 CA GLY A 7 -1.542 -5.840 3.214 1.00 0.00 C ATOM 113 C GLY A 7 -0.898 -4.973 4.278 1.00 0.00 C ATOM 114 O GLY A 7 -1.560 -4.132 4.886 1.00 0.00 O ATOM 0 H GLY A 7 -3.253 -4.641 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.408 -6.890 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.034 -5.680 2.263 1.00 0.00 H new ATOM 118 N ARG A 8 0.395 -5.178 4.503 1.00 0.00 N ATOM 119 CA ARG A 8 1.128 -4.410 5.502 1.00 0.00 C ATOM 120 C ARG A 8 2.533 -4.077 5.009 1.00 0.00 C ATOM 121 O ARG A 8 3.182 -4.893 4.354 1.00 0.00 O ATOM 122 CB ARG A 8 1.208 -5.189 6.817 1.00 0.00 C ATOM 123 CG ARG A 8 2.035 -4.495 7.887 1.00 0.00 C ATOM 124 CD ARG A 8 2.175 -5.358 9.131 1.00 0.00 C ATOM 125 NE ARG A 8 1.010 -5.250 10.005 1.00 0.00 N ATOM 126 CZ ARG A 8 0.769 -6.081 11.013 1.00 0.00 C ATOM 127 NH1 ARG A 8 1.607 -7.075 11.272 1.00 0.00 N ATOM 128 NH2 ARG A 8 -0.312 -5.918 11.765 1.00 0.00 N ATOM 0 H ARG A 8 0.957 -5.870 4.007 1.00 0.00 H new ATOM 0 HA ARG A 8 0.591 -3.477 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.199 -5.349 7.197 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.635 -6.173 6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.024 -4.263 7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.567 -3.547 8.152 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.313 -6.399 8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.069 -5.061 9.680 1.00 0.00 H new ATOM 0 HE ARG A 8 0.345 -4.496 9.832 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.439 -7.203 10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.419 -7.711 12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.959 -5.154 11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.496 -6.557 12.539 1.00 0.00 H new ATOM 142 N PHE A 9 2.997 -2.873 5.328 1.00 0.00 N ATOM 143 CA PHE A 9 4.324 -2.431 4.917 1.00 0.00 C ATOM 144 C PHE A 9 5.409 -3.187 5.678 1.00 0.00 C ATOM 145 O PHE A 9 5.276 -3.449 6.873 1.00 0.00 O ATOM 146 CB PHE A 9 4.477 -0.926 5.146 1.00 0.00 C ATOM 147 CG PHE A 9 3.519 -0.096 4.341 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.395 -0.287 2.974 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.741 0.874 4.951 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.514 0.475 2.231 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.858 1.640 4.213 1.00 0.00 C ATOM 152 CZ PHE A 9 1.744 1.440 2.852 1.00 0.00 C ATOM 0 H PHE A 9 2.473 -2.186 5.870 1.00 0.00 H new ATOM 0 HA PHE A 9 4.437 -2.642 3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.330 -0.711 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.497 -0.631 4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.994 -1.040 2.484 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.825 1.034 6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.427 0.317 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.258 2.394 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.054 2.037 2.273 1.00 0.00 H new ATOM 162 N GLY A 10 6.484 -3.534 4.977 1.00 0.00 N ATOM 163 CA GLY A 10 7.576 -4.257 5.602 1.00 0.00 C ATOM 164 C GLY A 10 8.817 -3.402 5.767 1.00 0.00 C ATOM 165 O GLY A 10 9.100 -2.911 6.860 1.00 0.00 O ATOM 0 H GLY A 10 6.618 -3.327 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.256 -4.620 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.819 -5.133 5.001 1.00 0.00 H new ATOM 169 N ALA A 11 9.560 -3.224 4.680 1.00 0.00 N ATOM 170 CA ALA A 11 10.777 -2.422 4.710 1.00 0.00 C ATOM 171 C ALA A 11 10.751 -1.344 3.632 1.00 0.00 C ATOM 172 O ALA A 11 10.113 -1.490 2.589 1.00 0.00 O ATOM 173 CB ALA A 11 12.000 -3.312 4.539 1.00 0.00 C ATOM 0 H ALA A 11 9.341 -3.624 3.768 1.00 0.00 H new ATOM 0 HA ALA A 11 10.833 -1.928 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.902 -2.700 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.035 -4.042 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.940 -3.832 3.583 1.00 0.00 H new ATOM 179 N PRO A 12 11.459 -0.233 3.888 1.00 0.00 N ATOM 180 CA PRO A 12 11.532 0.892 2.951 1.00 0.00 C ATOM 181 C PRO A 12 12.332 0.552 1.698 1.00 0.00 C ATOM 182 O PRO A 12 13.541 0.329 1.763 1.00 0.00 O ATOM 183 CB PRO A 12 12.241 1.981 3.759 1.00 0.00 C ATOM 184 CG PRO A 12 13.039 1.239 4.775 1.00 0.00 C ATOM 185 CD PRO A 12 12.243 0.009 5.110 1.00 0.00 C ATOM 0 HA PRO A 12 10.547 1.185 2.588 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.881 2.593 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.525 2.653 4.232 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.020 0.973 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.205 1.850 5.662 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.890 -0.836 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.600 0.170 5.975 1.00 0.00 H new ATOM 193 N TYR A 13 11.650 0.515 0.558 1.00 0.00 N ATOM 194 CA TYR A 13 12.298 0.201 -0.710 1.00 0.00 C ATOM 195 C TYR A 13 13.470 1.141 -0.970 1.00 0.00 C ATOM 196 O TYR A 13 13.748 2.040 -0.177 1.00 0.00 O ATOM 197 CB TYR A 13 11.290 0.293 -1.857 1.00 0.00 C ATOM 198 CG TYR A 13 11.719 -0.452 -3.101 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.684 -1.841 -3.149 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.162 0.231 -4.227 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.075 -2.526 -4.283 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.554 -0.446 -5.365 1.00 0.00 C ATOM 203 CZ TYR A 13 12.509 -1.825 -5.388 1.00 0.00 C ATOM 204 OH TYR A 13 12.900 -2.503 -6.520 1.00 0.00 O ATOM 0 H TYR A 13 10.649 0.698 0.486 1.00 0.00 H new ATOM 0 HA TYR A 13 12.680 -0.818 -0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.331 -0.101 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.132 1.342 -2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.345 -2.394 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.200 1.310 -4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.041 -3.605 -4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.894 0.101 -6.232 1.00 0.00 H new ATOM 0 HH TYR A 13 13.176 -1.861 -7.207 1.00 0.00 H new ATOM 214 N ALA A 14 14.154 0.927 -2.090 1.00 0.00 N ATOM 215 CA ALA A 14 15.295 1.756 -2.458 1.00 0.00 C ATOM 216 C ALA A 14 15.013 3.230 -2.187 1.00 0.00 C ATOM 217 O ALA A 14 13.866 3.625 -1.975 1.00 0.00 O ATOM 218 CB ALA A 14 15.650 1.546 -3.923 1.00 0.00 C ATOM 0 H ALA A 14 13.937 0.187 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 14 16.143 1.456 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.504 2.171 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.903 0.499 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.798 1.817 -4.546 1.00 0.00 H new ATOM 224 N LEU A 15 16.066 4.040 -2.193 1.00 0.00 N ATOM 225 CA LEU A 15 15.932 5.471 -1.947 1.00 0.00 C ATOM 226 C LEU A 15 14.827 6.071 -2.810 1.00 0.00 C ATOM 227 O LEU A 15 14.214 7.074 -2.444 1.00 0.00 O ATOM 228 CB LEU A 15 17.257 6.183 -2.227 1.00 0.00 C ATOM 229 CG LEU A 15 18.504 5.546 -1.614 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.751 6.317 -2.019 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.382 5.483 -0.099 1.00 0.00 C ATOM 0 H LEU A 15 17.022 3.730 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 15 15.666 5.611 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.395 6.239 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.180 7.207 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 15 18.592 4.528 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.629 5.849 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.847 6.309 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.672 7.346 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.279 5.027 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.268 6.491 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.511 4.886 0.171 1.00 0.00 H new ATOM 243 N LYS A 16 14.576 5.449 -3.957 1.00 0.00 N ATOM 244 CA LYS A 16 13.542 5.918 -4.872 1.00 0.00 C ATOM 245 C LYS A 16 12.315 6.402 -4.105 1.00 0.00 C ATOM 246 O LYS A 16 11.596 7.290 -4.561 1.00 0.00 O ATOM 247 CB LYS A 16 13.143 4.801 -5.839 1.00 0.00 C ATOM 248 CG LYS A 16 14.095 4.644 -7.012 1.00 0.00 C ATOM 249 CD LYS A 16 13.377 4.127 -8.247 1.00 0.00 C ATOM 250 CE LYS A 16 14.331 3.975 -9.423 1.00 0.00 C ATOM 251 NZ LYS A 16 15.245 2.812 -9.248 1.00 0.00 N ATOM 0 H LYS A 16 15.075 4.618 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 16 13.948 6.755 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.094 3.859 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.141 5.001 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.560 5.604 -7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.897 3.957 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.915 3.165 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.573 4.812 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.758 3.852 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.919 4.886 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.833 2.701 -10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.857 2.973 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.684 1.949 -9.100 1.00 0.00 H new ATOM 265 N GLY A 17 12.083 5.813 -2.935 1.00 0.00 N ATOM 266 CA GLY A 17 10.944 6.199 -2.123 1.00 0.00 C ATOM 267 C GLY A 17 9.858 5.142 -2.109 1.00 0.00 C ATOM 268 O GLY A 17 8.731 5.404 -1.690 1.00 0.00 O ATOM 0 H GLY A 17 12.664 5.076 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.277 6.388 -1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.532 7.134 -2.502 1.00 0.00 H new ATOM 272 N GLY A 18 10.196 3.941 -2.569 1.00 0.00 N ATOM 273 CA GLY A 18 9.230 2.859 -2.600 1.00 0.00 C ATOM 274 C GLY A 18 9.052 2.202 -1.246 1.00 0.00 C ATOM 275 O GLY A 18 9.942 2.262 -0.396 1.00 0.00 O ATOM 0 H GLY A 18 11.122 3.698 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.269 3.243 -2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.551 2.110 -3.324 1.00 0.00 H new ATOM 279 N LEU A 19 7.899 1.574 -1.042 1.00 0.00 N ATOM 280 CA LEU A 19 7.606 0.904 0.221 1.00 0.00 C ATOM 281 C LEU A 19 7.154 -0.533 -0.018 1.00 0.00 C ATOM 282 O LEU A 19 6.177 -0.778 -0.727 1.00 0.00 O ATOM 283 CB LEU A 19 6.526 1.669 0.988 1.00 0.00 C ATOM 284 CG LEU A 19 6.997 2.905 1.755 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.810 3.761 2.169 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.815 2.499 2.973 1.00 0.00 C ATOM 0 H LEU A 19 7.152 1.515 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 19 8.520 0.885 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.755 1.976 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.056 0.985 1.694 1.00 0.00 H new ATOM 0 HG LEU A 19 7.633 3.496 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.165 4.636 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.266 4.082 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.147 3.179 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.141 3.392 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.203 1.885 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.687 1.929 2.652 1.00 0.00 H new ATOM 298 N ARG A 20 7.869 -1.480 0.580 1.00 0.00 N ATOM 299 CA ARG A 20 7.541 -2.893 0.433 1.00 0.00 C ATOM 300 C ARG A 20 6.179 -3.202 1.048 1.00 0.00 C ATOM 301 O ARG A 20 6.049 -3.319 2.267 1.00 0.00 O ATOM 302 CB ARG A 20 8.617 -3.760 1.089 1.00 0.00 C ATOM 303 CG ARG A 20 9.837 -3.986 0.211 1.00 0.00 C ATOM 304 CD ARG A 20 10.793 -4.992 0.833 1.00 0.00 C ATOM 305 NE ARG A 20 11.629 -5.645 -0.171 1.00 0.00 N ATOM 306 CZ ARG A 20 12.713 -5.088 -0.699 1.00 0.00 C ATOM 307 NH1 ARG A 20 13.091 -3.875 -0.320 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.423 -5.746 -1.607 1.00 0.00 N ATOM 0 H ARG A 20 8.679 -1.294 1.171 1.00 0.00 H new ATOM 0 HA ARG A 20 7.500 -3.121 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.932 -3.290 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.184 -4.726 1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.520 -4.342 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.354 -3.039 0.055 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.428 -4.487 1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.223 -5.746 1.376 1.00 0.00 H new ATOM 0 HE ARG A 20 11.366 -6.580 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.549 -3.367 0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.924 -3.450 -0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.136 -6.680 -1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.255 -5.318 -2.012 1.00 0.00 H new ATOM 322 N PHE A 21 5.167 -3.331 0.197 1.00 0.00 N ATOM 323 CA PHE A 21 3.814 -3.625 0.657 1.00 0.00 C ATOM 324 C PHE A 21 3.428 -5.064 0.328 1.00 0.00 C ATOM 325 O PHE A 21 3.381 -5.454 -0.839 1.00 0.00 O ATOM 326 CB PHE A 21 2.815 -2.658 0.019 1.00 0.00 C ATOM 327 CG PHE A 21 1.390 -3.124 0.106 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.685 -3.022 1.295 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.755 -3.666 -1.000 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.626 -3.450 1.379 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.556 -4.095 -0.922 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.247 -3.988 0.269 1.00 0.00 C ATOM 0 H PHE A 21 5.257 -3.237 -0.815 1.00 0.00 H new ATOM 0 HA PHE A 21 3.790 -3.500 1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.901 -1.686 0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.079 -2.515 -1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.166 -2.603 2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.291 -3.754 -1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.164 -3.364 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.040 -4.514 -1.792 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.271 -4.325 0.332 1.00 0.00 H new ATOM 342 N ARG A 22 3.153 -5.848 1.365 1.00 0.00 N ATOM 343 CA ARG A 22 2.773 -7.244 1.187 1.00 0.00 C ATOM 344 C ARG A 22 1.288 -7.445 1.478 1.00 0.00 C ATOM 345 O ARG A 22 0.885 -7.592 2.631 1.00 0.00 O ATOM 346 CB ARG A 22 3.608 -8.143 2.101 1.00 0.00 C ATOM 347 CG ARG A 22 3.494 -9.622 1.770 1.00 0.00 C ATOM 348 CD ARG A 22 4.205 -10.480 2.804 1.00 0.00 C ATOM 349 NE ARG A 22 3.699 -11.850 2.820 1.00 0.00 N ATOM 350 CZ ARG A 22 4.148 -12.790 3.646 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.106 -12.508 4.518 1.00 0.00 N ATOM 352 NH2 ARG A 22 3.637 -14.014 3.600 1.00 0.00 N ATOM 0 H ARG A 22 3.186 -5.540 2.337 1.00 0.00 H new ATOM 0 HA ARG A 22 2.963 -7.516 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.654 -7.844 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.297 -7.986 3.134 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.443 -9.905 1.721 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.920 -9.809 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.274 -10.491 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.080 -10.036 3.792 1.00 0.00 H new ATOM 0 HE ARG A 22 2.961 -12.099 2.162 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.500 -11.568 4.556 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.449 -13.231 5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.899 -14.234 2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.982 -14.735 4.234 1.00 0.00 H new ATOM 366 N GLY A 23 0.479 -7.448 0.423 1.00 0.00 N ATOM 367 CA GLY A 23 -0.952 -7.630 0.586 1.00 0.00 C ATOM 368 C GLY A 23 -1.557 -8.479 -0.514 1.00 0.00 C ATOM 369 O GLY A 23 -0.876 -8.842 -1.472 1.00 0.00 O ATOM 0 H GLY A 23 0.789 -7.328 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.148 -8.097 1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.440 -6.655 0.599 1.00 0.00 H new ATOM 373 N GLU A 24 -2.841 -8.798 -0.376 1.00 0.00 N ATOM 374 CA GLU A 24 -3.536 -9.612 -1.366 1.00 0.00 C ATOM 375 C GLU A 24 -3.278 -9.091 -2.777 1.00 0.00 C ATOM 376 O GLU A 24 -2.965 -7.918 -2.985 1.00 0.00 O ATOM 377 CB GLU A 24 -5.040 -9.625 -1.082 1.00 0.00 C ATOM 378 CG GLU A 24 -5.422 -10.452 0.134 1.00 0.00 C ATOM 379 CD GLU A 24 -6.833 -11.001 0.045 1.00 0.00 C ATOM 380 OE1 GLU A 24 -7.787 -10.215 0.219 1.00 0.00 O ATOM 381 OE2 GLU A 24 -6.982 -12.217 -0.197 1.00 0.00 O ATOM 0 H GLU A 24 -3.420 -8.505 0.411 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.151 -10.630 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.383 -8.601 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.563 -10.015 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.720 -11.279 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.331 -9.838 1.030 1.00 0.00 H new ATOM 388 N PRO A 25 -3.412 -9.982 -3.770 1.00 0.00 N ATOM 389 CA PRO A 25 -3.198 -9.636 -5.178 1.00 0.00 C ATOM 390 C PRO A 25 -4.289 -8.720 -5.722 1.00 0.00 C ATOM 391 O PRO A 25 -4.143 -8.134 -6.795 1.00 0.00 O ATOM 392 CB PRO A 25 -3.237 -10.993 -5.886 1.00 0.00 C ATOM 393 CG PRO A 25 -4.060 -11.861 -4.997 1.00 0.00 C ATOM 394 CD PRO A 25 -3.783 -11.396 -3.594 1.00 0.00 C ATOM 0 HA PRO A 25 -2.267 -9.089 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.680 -10.909 -6.878 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.234 -11.399 -6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.120 -11.771 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.793 -12.911 -5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.659 -11.505 -2.954 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.978 -11.968 -3.133 1.00 0.00 H new ATOM 402 N VAL A 26 -5.382 -8.600 -4.975 1.00 0.00 N ATOM 403 CA VAL A 26 -6.497 -7.753 -5.382 1.00 0.00 C ATOM 404 C VAL A 26 -6.100 -6.281 -5.375 1.00 0.00 C ATOM 405 O VAL A 26 -6.790 -5.438 -5.948 1.00 0.00 O ATOM 406 CB VAL A 26 -7.715 -7.949 -4.460 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.462 -7.320 -3.099 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.966 -7.366 -5.101 1.00 0.00 C ATOM 0 H VAL A 26 -5.519 -9.079 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.766 -8.049 -6.396 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.871 -9.018 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.334 -7.469 -2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.592 -7.787 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.279 -6.252 -3.220 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.817 -7.513 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.822 -6.300 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.156 -7.867 -6.050 1.00 0.00 H new ATOM 418 N VAL A 27 -4.981 -5.978 -4.723 1.00 0.00 N ATOM 419 CA VAL A 27 -4.491 -4.608 -4.643 1.00 0.00 C ATOM 420 C VAL A 27 -4.085 -4.088 -6.018 1.00 0.00 C ATOM 421 O VAL A 27 -4.045 -2.879 -6.250 1.00 0.00 O ATOM 422 CB VAL A 27 -3.287 -4.498 -3.689 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.021 -5.000 -4.366 1.00 0.00 C ATOM 424 CG2 VAL A 27 -3.113 -3.063 -3.214 1.00 0.00 C ATOM 0 H VAL A 27 -4.398 -6.663 -4.243 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.309 -4.001 -4.255 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.478 -5.125 -2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.181 -4.914 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.151 -6.044 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.822 -4.402 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.258 -3.004 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.944 -2.413 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.012 -2.742 -2.688 1.00 0.00 H new ATOM 434 N LEU A 28 -3.784 -5.009 -6.927 1.00 0.00 N ATOM 435 CA LEU A 28 -3.381 -4.644 -8.281 1.00 0.00 C ATOM 436 C LEU A 28 -4.524 -3.959 -9.023 1.00 0.00 C ATOM 437 O LEU A 28 -4.353 -3.485 -10.147 1.00 0.00 O ATOM 438 CB LEU A 28 -2.930 -5.886 -9.051 1.00 0.00 C ATOM 439 CG LEU A 28 -1.853 -6.738 -8.379 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.415 -7.868 -9.298 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.661 -5.878 -7.985 1.00 0.00 C ATOM 0 H LEU A 28 -3.811 -6.013 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.548 -3.945 -8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.802 -6.514 -9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.559 -5.570 -10.026 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.276 -7.175 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.648 -8.463 -8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.272 -8.501 -9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.011 -7.451 -10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.096 -6.501 -7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.239 -5.412 -8.875 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.985 -5.104 -7.289 1.00 0.00 H new ATOM 453 N HIS A 29 -5.690 -3.909 -8.387 1.00 0.00 N ATOM 454 CA HIS A 29 -6.862 -3.279 -8.986 1.00 0.00 C ATOM 455 C HIS A 29 -7.231 -2.000 -8.241 1.00 0.00 C ATOM 456 O HIS A 29 -8.037 -1.201 -8.720 1.00 0.00 O ATOM 457 CB HIS A 29 -8.046 -4.246 -8.982 1.00 0.00 C ATOM 458 CG HIS A 29 -7.935 -5.333 -10.006 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.463 -5.228 -11.275 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.352 -6.553 -9.943 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.210 -6.336 -11.948 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.537 -7.156 -11.162 1.00 0.00 N ATOM 0 H HIS A 29 -5.849 -4.297 -7.457 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.618 -3.021 -10.017 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.133 -4.697 -7.993 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.964 -3.685 -9.158 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.837 -6.974 -9.092 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.504 -6.537 -12.968 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.208 -8.087 -11.419 1.00 0.00 H new ATOM 470 N LEU A 30 -6.638 -1.813 -7.067 1.00 0.00 N ATOM 471 CA LEU A 30 -6.906 -0.631 -6.255 1.00 0.00 C ATOM 472 C LEU A 30 -6.203 0.595 -6.829 1.00 0.00 C ATOM 473 O LEU A 30 -5.388 0.482 -7.745 1.00 0.00 O ATOM 474 CB LEU A 30 -6.450 -0.865 -4.813 1.00 0.00 C ATOM 475 CG LEU A 30 -7.271 -1.871 -4.005 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.670 -2.060 -2.621 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.720 -1.418 -3.903 1.00 0.00 C ATOM 0 H LEU A 30 -5.969 -2.464 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.981 -0.449 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.414 -1.203 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.465 0.090 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.248 -2.830 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.267 -2.779 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.649 -2.431 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.662 -1.106 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.289 -2.146 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.764 -0.448 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.147 -1.335 -4.903 1.00 0.00 H new ATOM 489 N GLU A 31 -6.523 1.764 -6.284 1.00 0.00 N ATOM 490 CA GLU A 31 -5.921 3.011 -6.742 1.00 0.00 C ATOM 491 C GLU A 31 -5.335 3.795 -5.571 1.00 0.00 C ATOM 492 O GLU A 31 -4.245 4.357 -5.671 1.00 0.00 O ATOM 493 CB GLU A 31 -6.958 3.865 -7.474 1.00 0.00 C ATOM 494 CG GLU A 31 -7.255 3.385 -8.885 1.00 0.00 C ATOM 495 CD GLU A 31 -8.609 3.848 -9.385 1.00 0.00 C ATOM 496 OE1 GLU A 31 -9.496 4.105 -8.544 1.00 0.00 O ATOM 497 OE2 GLU A 31 -8.784 3.952 -10.617 1.00 0.00 O ATOM 0 H GLU A 31 -7.195 1.874 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.113 2.763 -7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.884 3.870 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.604 4.895 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.479 3.748 -9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.215 2.296 -8.910 1.00 0.00 H new ATOM 504 N ARG A 32 -6.068 3.827 -4.463 1.00 0.00 N ATOM 505 CA ARG A 32 -5.623 4.543 -3.273 1.00 0.00 C ATOM 506 C ARG A 32 -5.470 3.591 -2.091 1.00 0.00 C ATOM 507 O ARG A 32 -5.979 2.470 -2.113 1.00 0.00 O ATOM 508 CB ARG A 32 -6.612 5.655 -2.922 1.00 0.00 C ATOM 509 CG ARG A 32 -7.906 5.148 -2.305 1.00 0.00 C ATOM 510 CD ARG A 32 -8.748 6.290 -1.758 1.00 0.00 C ATOM 511 NE ARG A 32 -9.244 7.161 -2.820 1.00 0.00 N ATOM 512 CZ ARG A 32 -9.784 8.355 -2.599 1.00 0.00 C ATOM 513 NH1 ARG A 32 -9.897 8.816 -1.361 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.213 9.089 -3.618 1.00 0.00 N ATOM 0 H ARG A 32 -6.972 3.366 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.651 4.986 -3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.136 6.348 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.847 6.219 -3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.477 4.600 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.677 4.447 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.591 5.884 -1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.153 6.876 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.172 6.835 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.569 8.254 -0.576 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.312 9.733 -1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.128 8.737 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.627 10.005 -3.448 1.00 0.00 H new ATOM 528 N VAL A 33 -4.766 4.045 -1.059 1.00 0.00 N ATOM 529 CA VAL A 33 -4.547 3.234 0.133 1.00 0.00 C ATOM 530 C VAL A 33 -4.738 4.059 1.401 1.00 0.00 C ATOM 531 O VAL A 33 -4.824 5.286 1.349 1.00 0.00 O ATOM 532 CB VAL A 33 -3.135 2.619 0.141 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.047 1.471 -0.853 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.090 3.681 -0.164 1.00 0.00 C ATOM 0 H VAL A 33 -4.338 4.970 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.284 2.432 0.111 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.936 2.222 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.042 1.049 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.770 0.701 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.266 1.840 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.098 3.229 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.284 4.110 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.138 4.466 0.590 1.00 0.00 H new ATOM 544 N TYR A 34 -4.801 3.377 2.539 1.00 0.00 N ATOM 545 CA TYR A 34 -4.984 4.046 3.822 1.00 0.00 C ATOM 546 C TYR A 34 -3.864 3.680 4.791 1.00 0.00 C ATOM 547 O TYR A 34 -3.682 2.512 5.136 1.00 0.00 O ATOM 548 CB TYR A 34 -6.338 3.674 4.427 1.00 0.00 C ATOM 549 CG TYR A 34 -6.558 4.239 5.812 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.864 5.362 6.245 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.462 3.650 6.688 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.062 5.881 7.510 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.667 4.163 7.954 1.00 0.00 C ATOM 554 CZ TYR A 34 -6.964 5.278 8.361 1.00 0.00 C ATOM 555 OH TYR A 34 -7.165 5.792 9.621 1.00 0.00 O ATOM 0 H TYR A 34 -4.728 2.361 2.600 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.954 5.122 3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.131 4.029 3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.422 2.588 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.157 5.838 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.014 2.776 6.374 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.513 6.754 7.831 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.374 3.694 8.622 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.833 5.251 10.092 1.00 0.00 H new ATOM 565 N VAL A 35 -3.115 4.688 5.228 1.00 0.00 N ATOM 566 CA VAL A 35 -2.014 4.475 6.159 1.00 0.00 C ATOM 567 C VAL A 35 -2.511 4.435 7.600 1.00 0.00 C ATOM 568 O VAL A 35 -2.678 5.474 8.237 1.00 0.00 O ATOM 569 CB VAL A 35 -0.945 5.577 6.027 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.244 5.278 6.927 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.505 5.720 4.578 1.00 0.00 C ATOM 0 H VAL A 35 -3.251 5.660 4.952 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.568 3.514 5.905 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.382 6.524 6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.989 6.067 6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.088 5.230 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.685 4.322 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.250 6.502 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.085 4.776 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.364 5.984 3.961 1.00 0.00 H new ATOM 581 N GLU A 36 -2.747 3.229 8.106 1.00 0.00 N ATOM 582 CA GLU A 36 -3.226 3.054 9.472 1.00 0.00 C ATOM 583 C GLU A 36 -2.244 3.653 10.474 1.00 0.00 C ATOM 584 O GLU A 36 -1.234 3.038 10.814 1.00 0.00 O ATOM 585 CB GLU A 36 -3.440 1.570 9.775 1.00 0.00 C ATOM 586 CG GLU A 36 -3.885 1.298 11.202 1.00 0.00 C ATOM 587 CD GLU A 36 -5.394 1.303 11.354 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.073 1.926 10.511 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.895 0.683 12.315 1.00 0.00 O ATOM 0 H GLU A 36 -2.614 2.359 7.591 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.178 3.577 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.187 1.172 9.088 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.512 1.031 9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.495 0.332 11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.455 2.051 11.862 1.00 0.00 H new ATOM 596 N GLY A 37 -2.548 4.860 10.943 1.00 0.00 N ATOM 597 CA GLY A 37 -1.682 5.523 11.900 1.00 0.00 C ATOM 598 C GLY A 37 -1.608 7.020 11.675 1.00 0.00 C ATOM 599 O GLY A 37 -1.643 7.801 12.627 1.00 0.00 O ATOM 0 H GLY A 37 -3.378 5.390 10.677 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.044 5.328 12.909 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.680 5.099 11.834 1.00 0.00 H new ATOM 603 N HIS A 38 -1.504 7.423 10.413 1.00 0.00 N ATOM 604 CA HIS A 38 -1.424 8.837 10.065 1.00 0.00 C ATOM 605 C HIS A 38 -2.671 9.282 9.307 1.00 0.00 C ATOM 606 O HIS A 38 -3.570 9.898 9.877 1.00 0.00 O ATOM 607 CB HIS A 38 -0.177 9.108 9.223 1.00 0.00 C ATOM 608 CG HIS A 38 1.106 8.878 9.962 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.323 9.355 9.523 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.356 8.220 11.118 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.267 8.998 10.376 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.706 8.309 11.353 1.00 0.00 N ATOM 0 H HIS A 38 -1.473 6.790 9.614 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.359 9.410 10.990 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.198 8.468 8.341 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.204 10.139 8.870 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.629 7.718 11.740 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.318 9.230 10.289 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.196 7.908 12.153 1.00 0.00 H new ATOM 620 N GLY A 39 -2.716 8.966 8.016 1.00 0.00 N ATOM 621 CA GLY A 39 -3.856 9.342 7.200 1.00 0.00 C ATOM 622 C GLY A 39 -3.941 8.538 5.917 1.00 0.00 C ATOM 623 O GLY A 39 -3.108 7.668 5.666 1.00 0.00 O ATOM 0 H GLY A 39 -1.984 8.457 7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.772 9.202 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.791 10.403 6.957 1.00 0.00 H new ATOM 627 N TRP A 40 -4.951 8.829 5.105 1.00 0.00 N ATOM 628 CA TRP A 40 -5.143 8.125 3.842 1.00 0.00 C ATOM 629 C TRP A 40 -4.151 8.612 2.792 1.00 0.00 C ATOM 630 O TRP A 40 -3.943 9.815 2.633 1.00 0.00 O ATOM 631 CB TRP A 40 -6.574 8.318 3.339 1.00 0.00 C ATOM 632 CG TRP A 40 -7.552 7.357 3.945 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.096 7.420 5.196 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.099 6.187 3.325 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.948 6.360 5.392 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.968 5.590 4.259 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.941 5.588 2.073 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.674 4.423 3.977 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.642 4.430 1.795 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.500 3.858 2.743 1.00 0.00 C ATOM 0 H TRP A 40 -5.649 9.547 5.298 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.967 7.063 4.016 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.894 9.337 3.558 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.589 8.205 2.255 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.887 8.190 5.924 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.479 6.176 6.243 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.283 6.022 1.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.335 3.980 4.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.526 3.958 0.830 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.035 2.953 2.495 1.00 0.00 H new ATOM 651 N ARG A 41 -3.543 7.672 2.076 1.00 0.00 N ATOM 652 CA ARG A 41 -2.573 8.007 1.041 1.00 0.00 C ATOM 653 C ARG A 41 -3.013 7.461 -0.314 1.00 0.00 C ATOM 654 O ARG A 41 -3.948 6.664 -0.399 1.00 0.00 O ATOM 655 CB ARG A 41 -1.195 7.449 1.404 1.00 0.00 C ATOM 656 CG ARG A 41 -0.448 8.290 2.427 1.00 0.00 C ATOM 657 CD ARG A 41 -0.061 9.645 1.857 1.00 0.00 C ATOM 658 NE ARG A 41 0.721 10.434 2.805 1.00 0.00 N ATOM 659 CZ ARG A 41 1.160 11.663 2.554 1.00 0.00 C ATOM 660 NH1 ARG A 41 0.893 12.239 1.390 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.866 12.316 3.467 1.00 0.00 N ATOM 0 H ARG A 41 -3.705 6.672 2.194 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.512 9.093 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.313 6.438 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.593 7.374 0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.072 8.430 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.448 7.761 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.514 9.503 0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.962 10.194 1.584 1.00 0.00 H new ATOM 0 HE ARG A 41 0.943 10.019 3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.350 11.739 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.230 13.182 1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.073 11.875 4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.202 13.259 3.273 1.00 0.00 H new ATOM 675 N ALA A 42 -2.335 7.896 -1.370 1.00 0.00 N ATOM 676 CA ALA A 42 -2.655 7.451 -2.721 1.00 0.00 C ATOM 677 C ALA A 42 -1.492 6.677 -3.334 1.00 0.00 C ATOM 678 O ALA A 42 -0.339 6.858 -2.941 1.00 0.00 O ATOM 679 CB ALA A 42 -3.020 8.640 -3.596 1.00 0.00 C ATOM 0 H ALA A 42 -1.560 8.557 -1.316 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.513 6.781 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.256 8.293 -4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.887 9.149 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.179 9.332 -3.640 1.00 0.00 H new ATOM 685 N ILE A 43 -1.803 5.816 -4.296 1.00 0.00 N ATOM 686 CA ILE A 43 -0.783 5.016 -4.963 1.00 0.00 C ATOM 687 C ILE A 43 -0.328 5.675 -6.260 1.00 0.00 C ATOM 688 O ILE A 43 -1.147 6.131 -7.057 1.00 0.00 O ATOM 689 CB ILE A 43 -1.295 3.597 -5.274 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.686 2.877 -3.982 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.237 2.806 -6.029 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.291 1.510 -4.211 1.00 0.00 C ATOM 0 H ILE A 43 -2.753 5.654 -4.631 1.00 0.00 H new ATOM 0 HA ILE A 43 0.062 4.947 -4.278 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.180 3.676 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.803 2.773 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.398 3.493 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.614 1.805 -6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.003 3.312 -6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.665 2.733 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.544 1.059 -3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.193 1.608 -4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.573 0.877 -4.732 1.00 0.00 H new ATOM 704 N GLU A 44 0.985 5.721 -6.465 1.00 0.00 N ATOM 705 CA GLU A 44 1.549 6.325 -7.667 1.00 0.00 C ATOM 706 C GLU A 44 2.066 5.253 -8.622 1.00 0.00 C ATOM 707 O GLU A 44 1.789 5.291 -9.822 1.00 0.00 O ATOM 708 CB GLU A 44 2.683 7.285 -7.298 1.00 0.00 C ATOM 709 CG GLU A 44 2.215 8.515 -6.539 1.00 0.00 C ATOM 710 CD GLU A 44 1.532 9.529 -7.436 1.00 0.00 C ATOM 711 OE1 GLU A 44 1.949 9.662 -8.606 1.00 0.00 O ATOM 712 OE2 GLU A 44 0.581 10.189 -6.968 1.00 0.00 O ATOM 0 H GLU A 44 1.677 5.348 -5.815 1.00 0.00 H new ATOM 0 HA GLU A 44 0.758 6.884 -8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.417 6.752 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.191 7.602 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.526 8.211 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.070 8.984 -6.052 1.00 0.00 H new ATOM 719 N ASP A 45 2.818 4.300 -8.083 1.00 0.00 N ATOM 720 CA ASP A 45 3.373 3.218 -8.886 1.00 0.00 C ATOM 721 C ASP A 45 3.728 2.019 -8.012 1.00 0.00 C ATOM 722 O ASP A 45 4.478 2.144 -7.043 1.00 0.00 O ATOM 723 CB ASP A 45 4.614 3.699 -9.641 1.00 0.00 C ATOM 724 CG ASP A 45 4.813 2.967 -10.954 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.832 2.842 -11.717 1.00 0.00 O ATOM 726 OD2 ASP A 45 5.948 2.519 -11.218 1.00 0.00 O ATOM 0 H ASP A 45 3.057 4.255 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 45 2.616 2.908 -9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.526 4.768 -9.834 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.494 3.559 -9.014 1.00 0.00 H new ATOM 731 N LEU A 46 3.183 0.858 -8.359 1.00 0.00 N ATOM 732 CA LEU A 46 3.441 -0.364 -7.606 1.00 0.00 C ATOM 733 C LEU A 46 3.670 -1.544 -8.545 1.00 0.00 C ATOM 734 O LEU A 46 3.240 -1.526 -9.698 1.00 0.00 O ATOM 735 CB LEU A 46 2.271 -0.664 -6.668 1.00 0.00 C ATOM 736 CG LEU A 46 1.045 -1.315 -7.310 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.268 -2.809 -7.491 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.197 -1.058 -6.470 1.00 0.00 C ATOM 0 H LEU A 46 2.560 0.737 -9.157 1.00 0.00 H new ATOM 0 HA LEU A 46 4.344 -0.214 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.628 -1.316 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.958 0.269 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 46 0.893 -0.869 -8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.386 -3.256 -7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.133 -2.973 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.446 -3.271 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.059 -1.529 -6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.055 -1.477 -5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.367 0.016 -6.391 1.00 0.00 H new ATOM 750 N TYR A 47 4.349 -2.569 -8.042 1.00 0.00 N ATOM 751 CA TYR A 47 4.636 -3.758 -8.836 1.00 0.00 C ATOM 752 C TYR A 47 5.149 -4.892 -7.953 1.00 0.00 C ATOM 753 O TYR A 47 5.885 -4.661 -6.993 1.00 0.00 O ATOM 754 CB TYR A 47 5.665 -3.437 -9.921 1.00 0.00 C ATOM 755 CG TYR A 47 6.721 -2.448 -9.481 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.723 -2.820 -8.593 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.717 -1.141 -9.953 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.689 -1.920 -8.188 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.680 -0.234 -9.554 1.00 0.00 C ATOM 760 CZ TYR A 47 8.663 -0.628 -8.671 1.00 0.00 C ATOM 761 OH TYR A 47 9.624 0.271 -8.271 1.00 0.00 O ATOM 0 H TYR A 47 4.711 -2.601 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 47 3.708 -4.080 -9.309 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.152 -4.361 -10.233 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.148 -3.039 -10.794 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.747 -3.831 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.948 -0.829 -10.644 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.461 -2.226 -7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.663 0.778 -9.932 1.00 0.00 H new ATOM 0 HH TYR A 47 9.273 0.821 -7.539 1.00 0.00 H new ATOM 771 N ARG A 48 4.756 -6.117 -8.285 1.00 0.00 N ATOM 772 CA ARG A 48 5.175 -7.287 -7.524 1.00 0.00 C ATOM 773 C ARG A 48 6.593 -7.703 -7.902 1.00 0.00 C ATOM 774 O ARG A 48 6.807 -8.369 -8.915 1.00 0.00 O ATOM 775 CB ARG A 48 4.210 -8.450 -7.763 1.00 0.00 C ATOM 776 CG ARG A 48 4.161 -8.912 -9.210 1.00 0.00 C ATOM 777 CD ARG A 48 2.867 -9.651 -9.516 1.00 0.00 C ATOM 778 NE ARG A 48 3.021 -10.589 -10.624 1.00 0.00 N ATOM 779 CZ ARG A 48 2.146 -11.549 -10.902 1.00 0.00 C ATOM 780 NH1 ARG A 48 1.060 -11.696 -10.155 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.356 -12.364 -11.928 1.00 0.00 N ATOM 0 H ARG A 48 4.147 -6.325 -9.077 1.00 0.00 H new ATOM 0 HA ARG A 48 5.162 -7.024 -6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.502 -9.289 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.209 -8.151 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.254 -8.051 -9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.010 -9.564 -9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.539 -10.190 -8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.086 -8.930 -9.758 1.00 0.00 H new ATOM 0 HE ARG A 48 3.846 -10.502 -11.217 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.896 -11.071 -9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.389 -12.434 -10.370 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.190 -12.254 -12.504 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.683 -13.101 -12.140 1.00 0.00 H new ATOM 795 N VAL A 49 7.560 -7.305 -7.080 1.00 0.00 N ATOM 796 CA VAL A 49 8.958 -7.637 -7.327 1.00 0.00 C ATOM 797 C VAL A 49 9.284 -9.043 -6.838 1.00 0.00 C ATOM 798 O VAL A 49 9.214 -9.327 -5.643 1.00 0.00 O ATOM 799 CB VAL A 49 9.903 -6.633 -6.640 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.355 -7.015 -6.882 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.626 -5.220 -7.129 1.00 0.00 C ATOM 0 H VAL A 49 7.400 -6.752 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 49 9.109 -7.587 -8.405 1.00 0.00 H new ATOM 0 HB VAL A 49 9.719 -6.663 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.008 -6.294 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.542 -8.010 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.558 -7.015 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.303 -4.524 -6.633 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.781 -5.171 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.595 -4.951 -6.898 1.00 0.00 H new ATOM 811 N GLY A 50 9.642 -9.921 -7.770 1.00 0.00 N ATOM 812 CA GLY A 50 9.975 -11.288 -7.414 1.00 0.00 C ATOM 813 C GLY A 50 8.885 -11.956 -6.599 1.00 0.00 C ATOM 814 O GLY A 50 7.851 -12.348 -7.138 1.00 0.00 O ATOM 0 H GLY A 50 9.707 -9.710 -8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.150 -11.864 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.906 -11.296 -6.847 1.00 0.00 H new ATOM 818 N GLU A 51 9.119 -12.087 -5.297 1.00 0.00 N ATOM 819 CA GLU A 51 8.149 -12.715 -4.407 1.00 0.00 C ATOM 820 C GLU A 51 7.620 -11.713 -3.385 1.00 0.00 C ATOM 821 O GLU A 51 7.309 -12.074 -2.251 1.00 0.00 O ATOM 822 CB GLU A 51 8.782 -13.908 -3.688 1.00 0.00 C ATOM 823 CG GLU A 51 8.943 -15.135 -4.569 1.00 0.00 C ATOM 824 CD GLU A 51 9.282 -16.382 -3.776 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.349 -16.402 -3.127 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.480 -17.339 -3.805 1.00 0.00 O ATOM 0 H GLU A 51 9.971 -11.767 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 51 7.313 -13.066 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.760 -13.614 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.169 -14.169 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.020 -15.302 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.728 -14.951 -5.302 1.00 0.00 H new ATOM 833 N GLU A 52 7.521 -10.453 -3.797 1.00 0.00 N ATOM 834 CA GLU A 52 7.030 -9.399 -2.917 1.00 0.00 C ATOM 835 C GLU A 52 6.412 -8.261 -3.724 1.00 0.00 C ATOM 836 O GLU A 52 6.420 -8.282 -4.955 1.00 0.00 O ATOM 837 CB GLU A 52 8.167 -8.862 -2.045 1.00 0.00 C ATOM 838 CG GLU A 52 8.855 -9.932 -1.215 1.00 0.00 C ATOM 839 CD GLU A 52 9.697 -9.350 -0.096 1.00 0.00 C ATOM 840 OE1 GLU A 52 10.178 -8.207 -0.248 1.00 0.00 O ATOM 841 OE2 GLU A 52 9.876 -10.037 0.932 1.00 0.00 O ATOM 0 H GLU A 52 7.774 -10.138 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 52 6.260 -9.826 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.906 -8.378 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.771 -8.096 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.103 -10.597 -0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.488 -10.539 -1.863 1.00 0.00 H new ATOM 848 N LEU A 53 5.876 -7.269 -3.021 1.00 0.00 N ATOM 849 CA LEU A 53 5.252 -6.121 -3.670 1.00 0.00 C ATOM 850 C LEU A 53 5.765 -4.813 -3.075 1.00 0.00 C ATOM 851 O LEU A 53 5.948 -4.701 -1.863 1.00 0.00 O ATOM 852 CB LEU A 53 3.731 -6.196 -3.532 1.00 0.00 C ATOM 853 CG LEU A 53 2.985 -6.878 -4.679 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.733 -7.571 -4.165 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.632 -5.868 -5.761 1.00 0.00 C ATOM 0 H LEU A 53 5.861 -7.237 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 53 5.516 -6.145 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.496 -6.724 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.346 -5.182 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 53 3.640 -7.633 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.215 -8.051 -4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.011 -8.324 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.074 -6.836 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.101 -6.371 -6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.996 -5.090 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.545 -5.418 -6.151 1.00 0.00 H new ATOM 867 N VAL A 54 5.992 -3.826 -3.936 1.00 0.00 N ATOM 868 CA VAL A 54 6.480 -2.525 -3.495 1.00 0.00 C ATOM 869 C VAL A 54 5.567 -1.404 -3.976 1.00 0.00 C ATOM 870 O VAL A 54 5.592 -1.027 -5.148 1.00 0.00 O ATOM 871 CB VAL A 54 7.910 -2.260 -4.002 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.392 -0.890 -3.551 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.856 -3.351 -3.522 1.00 0.00 C ATOM 0 H VAL A 54 5.846 -3.903 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 54 6.486 -2.543 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 54 7.898 -2.274 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.404 -0.721 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.729 -0.122 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.389 -0.844 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.862 -3.148 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.865 -3.371 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.520 -4.316 -3.900 1.00 0.00 H new ATOM 883 N VAL A 55 4.759 -0.872 -3.064 1.00 0.00 N ATOM 884 CA VAL A 55 3.837 0.208 -3.394 1.00 0.00 C ATOM 885 C VAL A 55 4.458 1.569 -3.100 1.00 0.00 C ATOM 886 O VAL A 55 5.066 1.772 -2.048 1.00 0.00 O ATOM 887 CB VAL A 55 2.517 0.078 -2.612 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.686 1.344 -2.753 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.735 -1.138 -3.085 1.00 0.00 C ATOM 0 H VAL A 55 4.725 -1.172 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 55 3.627 0.130 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 55 2.752 -0.058 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.757 1.234 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.247 2.193 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.458 1.514 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.805 -1.214 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.509 -1.035 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.330 -2.037 -2.927 1.00 0.00 H new ATOM 899 N HIS A 56 4.300 2.500 -4.036 1.00 0.00 N ATOM 900 CA HIS A 56 4.844 3.844 -3.876 1.00 0.00 C ATOM 901 C HIS A 56 3.741 4.840 -3.533 1.00 0.00 C ATOM 902 O HIS A 56 2.969 5.251 -4.401 1.00 0.00 O ATOM 903 CB HIS A 56 5.562 4.281 -5.153 1.00 0.00 C ATOM 904 CG HIS A 56 6.804 3.494 -5.442 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.059 4.062 -5.499 1.00 0.00 N ATOM 906 CD2 HIS A 56 6.978 2.175 -5.689 1.00 0.00 C ATOM 907 CE1 HIS A 56 8.951 3.127 -5.770 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.321 1.972 -5.890 1.00 0.00 N ATOM 0 H HIS A 56 3.800 2.349 -4.912 1.00 0.00 H new ATOM 0 HA HIS A 56 5.559 3.824 -3.054 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.877 4.186 -5.996 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.822 5.336 -5.071 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.266 5.050 -5.354 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.204 1.422 -5.722 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.015 3.280 -5.876 1.00 0.00 H new ATOM 916 N LEU A 57 3.670 5.222 -2.263 1.00 0.00 N ATOM 917 CA LEU A 57 2.660 6.170 -1.804 1.00 0.00 C ATOM 918 C LEU A 57 2.938 7.568 -2.347 1.00 0.00 C ATOM 919 O LEU A 57 4.087 7.930 -2.596 1.00 0.00 O ATOM 920 CB LEU A 57 2.620 6.202 -0.275 1.00 0.00 C ATOM 921 CG LEU A 57 2.397 4.858 0.419 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.466 5.020 1.930 1.00 0.00 C ATOM 923 CD2 LEU A 57 1.061 4.260 0.006 1.00 0.00 C ATOM 0 H LEU A 57 4.300 4.890 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 57 1.691 5.841 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.559 6.622 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.827 6.883 0.034 1.00 0.00 H new ATOM 0 HG LEU A 57 3.189 4.175 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.305 4.053 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.447 5.404 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.696 5.719 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.919 3.304 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.256 4.940 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.049 4.107 -1.073 1.00 0.00 H new ATOM 935 N ALA A 58 1.878 8.349 -2.525 1.00 0.00 N ATOM 936 CA ALA A 58 2.009 9.709 -3.034 1.00 0.00 C ATOM 937 C ALA A 58 2.734 10.603 -2.033 1.00 0.00 C ATOM 938 O ALA A 58 2.311 10.737 -0.885 1.00 0.00 O ATOM 939 CB ALA A 58 0.639 10.284 -3.361 1.00 0.00 C ATOM 0 H ALA A 58 0.919 8.064 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 58 2.604 9.673 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.752 11.300 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.156 9.666 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.026 10.299 -2.460 1.00 0.00 H new ATOM 945 N GLY A 59 3.830 11.212 -2.476 1.00 0.00 N ATOM 946 CA GLY A 59 4.597 12.084 -1.605 1.00 0.00 C ATOM 947 C GLY A 59 5.911 11.463 -1.174 1.00 0.00 C ATOM 948 O GLY A 59 6.959 12.106 -1.234 1.00 0.00 O ATOM 0 H GLY A 59 4.200 11.117 -3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.795 13.024 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.004 12.323 -0.722 1.00 0.00 H new ATOM 952 N VAL A 60 5.856 10.209 -0.737 1.00 0.00 N ATOM 953 CA VAL A 60 7.050 9.501 -0.293 1.00 0.00 C ATOM 954 C VAL A 60 8.053 9.348 -1.431 1.00 0.00 C ATOM 955 O VAL A 60 7.930 8.451 -2.266 1.00 0.00 O ATOM 956 CB VAL A 60 6.703 8.107 0.262 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.956 7.403 0.759 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.668 8.218 1.371 1.00 0.00 C ATOM 0 H VAL A 60 4.997 9.662 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 60 7.495 10.099 0.502 1.00 0.00 H new ATOM 0 HB VAL A 60 6.276 7.510 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.691 6.420 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.661 7.290 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.416 7.994 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.435 7.224 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.065 8.832 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.761 8.678 0.978 1.00 0.00 H new ATOM 968 N THR A 61 9.048 10.230 -1.459 1.00 0.00 N ATOM 969 CA THR A 61 10.072 10.194 -2.495 1.00 0.00 C ATOM 970 C THR A 61 11.453 9.954 -1.894 1.00 0.00 C ATOM 971 O THR A 61 12.421 9.716 -2.616 1.00 0.00 O ATOM 972 CB THR A 61 10.098 11.504 -3.305 1.00 0.00 C ATOM 973 OG1 THR A 61 10.407 12.606 -2.444 1.00 0.00 O ATOM 974 CG2 THR A 61 8.760 11.746 -3.986 1.00 0.00 C ATOM 0 H THR A 61 9.166 10.978 -0.776 1.00 0.00 H new ATOM 0 HA THR A 61 9.820 9.369 -3.161 1.00 0.00 H new ATOM 0 HB THR A 61 10.867 11.416 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.423 13.435 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.803 12.677 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.541 10.920 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.975 11.815 -3.232 1.00 0.00 H new ATOM 982 N ASP A 62 11.536 10.016 -0.570 1.00 0.00 N ATOM 983 CA ASP A 62 12.798 9.803 0.127 1.00 0.00 C ATOM 984 C ASP A 62 12.673 8.672 1.144 1.00 0.00 C ATOM 985 O ASP A 62 11.596 8.430 1.689 1.00 0.00 O ATOM 986 CB ASP A 62 13.242 11.088 0.828 1.00 0.00 C ATOM 987 CG ASP A 62 12.084 11.826 1.472 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.562 11.334 2.495 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.701 12.895 0.954 1.00 0.00 O ATOM 0 H ASP A 62 10.744 10.212 0.042 1.00 0.00 H new ATOM 0 HA ASP A 62 13.549 9.523 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.983 10.846 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.730 11.743 0.106 1.00 0.00 H new ATOM 994 N ARG A 63 13.782 7.983 1.393 1.00 0.00 N ATOM 995 CA ARG A 63 13.796 6.876 2.342 1.00 0.00 C ATOM 996 C ARG A 63 13.140 7.281 3.659 1.00 0.00 C ATOM 997 O ARG A 63 12.356 6.525 4.234 1.00 0.00 O ATOM 998 CB ARG A 63 15.231 6.412 2.597 1.00 0.00 C ATOM 999 CG ARG A 63 15.327 4.993 3.132 1.00 0.00 C ATOM 1000 CD ARG A 63 16.757 4.632 3.500 1.00 0.00 C ATOM 1001 NE ARG A 63 16.814 3.552 4.482 1.00 0.00 N ATOM 1002 CZ ARG A 63 17.906 3.244 5.173 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.026 3.930 4.991 1.00 0.00 N ATOM 1004 NH2 ARG A 63 17.879 2.248 6.049 1.00 0.00 N ATOM 0 H ARG A 63 14.682 8.172 0.951 1.00 0.00 H new ATOM 0 HA ARG A 63 13.227 6.053 1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.796 6.480 1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.703 7.091 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.687 4.889 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.956 4.294 2.382 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.298 4.334 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.262 5.512 3.899 1.00 0.00 H new ATOM 0 HE ARG A 63 15.969 3.004 4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.051 4.697 4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.863 3.691 5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.019 1.718 6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.718 2.012 6.579 1.00 0.00 H new ATOM 1018 N THR A 64 13.466 8.479 4.133 1.00 0.00 N ATOM 1019 CA THR A 64 12.911 8.984 5.383 1.00 0.00 C ATOM 1020 C THR A 64 11.389 8.896 5.383 1.00 0.00 C ATOM 1021 O THR A 64 10.800 8.153 6.169 1.00 0.00 O ATOM 1022 CB THR A 64 13.329 10.445 5.634 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.752 10.571 5.535 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.868 10.912 7.006 1.00 0.00 C ATOM 0 H THR A 64 14.112 9.118 3.670 1.00 0.00 H new ATOM 0 HA THR A 64 13.309 8.358 6.181 1.00 0.00 H new ATOM 0 HB THR A 64 12.855 11.070 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.010 11.503 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.175 11.946 7.160 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.782 10.842 7.068 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.316 10.282 7.774 1.00 0.00 H new ATOM 1032 N LEU A 65 10.757 9.658 4.497 1.00 0.00 N ATOM 1033 CA LEU A 65 9.302 9.665 4.394 1.00 0.00 C ATOM 1034 C LEU A 65 8.745 8.246 4.436 1.00 0.00 C ATOM 1035 O LEU A 65 7.800 7.960 5.169 1.00 0.00 O ATOM 1036 CB LEU A 65 8.865 10.359 3.103 1.00 0.00 C ATOM 1037 CG LEU A 65 8.912 11.887 3.112 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.908 12.430 1.692 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.742 12.451 3.905 1.00 0.00 C ATOM 0 H LEU A 65 11.229 10.279 3.840 1.00 0.00 H new ATOM 0 HA LEU A 65 8.906 10.216 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.497 10.001 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.845 10.048 2.875 1.00 0.00 H new ATOM 0 HG LEU A 65 9.837 12.200 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.942 13.519 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.779 12.053 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.000 12.108 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.791 13.540 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.805 12.128 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.791 12.089 4.932 1.00 0.00 H new ATOM 1051 N ALA A 66 9.341 7.359 3.645 1.00 0.00 N ATOM 1052 CA ALA A 66 8.908 5.968 3.595 1.00 0.00 C ATOM 1053 C ALA A 66 9.021 5.308 4.965 1.00 0.00 C ATOM 1054 O ALA A 66 8.059 4.725 5.464 1.00 0.00 O ATOM 1055 CB ALA A 66 9.724 5.198 2.567 1.00 0.00 C ATOM 0 H ALA A 66 10.125 7.579 3.030 1.00 0.00 H new ATOM 0 HA ALA A 66 7.859 5.950 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.390 4.161 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.589 5.648 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.779 5.233 2.840 1.00 0.00 H new ATOM 1061 N GLU A 67 10.202 5.404 5.567 1.00 0.00 N ATOM 1062 CA GLU A 67 10.440 4.814 6.879 1.00 0.00 C ATOM 1063 C GLU A 67 9.324 5.183 7.852 1.00 0.00 C ATOM 1064 O GLU A 67 8.913 4.370 8.679 1.00 0.00 O ATOM 1065 CB GLU A 67 11.789 5.276 7.434 1.00 0.00 C ATOM 1066 CG GLU A 67 12.952 4.387 7.027 1.00 0.00 C ATOM 1067 CD GLU A 67 14.241 4.752 7.736 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.600 5.948 7.736 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.892 3.842 8.290 1.00 0.00 O ATOM 0 H GLU A 67 11.008 5.884 5.168 1.00 0.00 H new ATOM 0 HA GLU A 67 10.455 3.730 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.983 6.293 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.732 5.310 8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.704 3.348 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.101 4.460 5.950 1.00 0.00 H new ATOM 1076 N ALA A 68 8.838 6.416 7.746 1.00 0.00 N ATOM 1077 CA ALA A 68 7.769 6.893 8.615 1.00 0.00 C ATOM 1078 C ALA A 68 6.507 6.056 8.442 1.00 0.00 C ATOM 1079 O ALA A 68 5.727 5.889 9.381 1.00 0.00 O ATOM 1080 CB ALA A 68 7.475 8.359 8.333 1.00 0.00 C ATOM 0 H ALA A 68 9.168 7.102 7.067 1.00 0.00 H new ATOM 0 HA ALA A 68 8.101 6.792 9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.675 8.702 8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.372 8.951 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.167 8.475 7.294 1.00 0.00 H new ATOM 1086 N LEU A 69 6.310 5.532 7.238 1.00 0.00 N ATOM 1087 CA LEU A 69 5.141 4.711 6.942 1.00 0.00 C ATOM 1088 C LEU A 69 5.520 3.237 6.845 1.00 0.00 C ATOM 1089 O LEU A 69 4.851 2.456 6.168 1.00 0.00 O ATOM 1090 CB LEU A 69 4.489 5.169 5.635 1.00 0.00 C ATOM 1091 CG LEU A 69 3.953 6.601 5.618 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.471 6.974 4.225 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.831 6.762 6.634 1.00 0.00 C ATOM 0 H LEU A 69 6.945 5.661 6.450 1.00 0.00 H new ATOM 0 HA LEU A 69 4.428 4.830 7.758 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.219 5.066 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.666 4.492 5.406 1.00 0.00 H new ATOM 0 HG LEU A 69 4.764 7.276 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.093 7.996 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.300 6.898 3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.674 6.295 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.461 7.787 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.019 6.077 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.208 6.537 7.632 1.00 0.00 H new ATOM 1105 N VAL A 70 6.597 2.862 7.528 1.00 0.00 N ATOM 1106 CA VAL A 70 7.064 1.481 7.522 1.00 0.00 C ATOM 1107 C VAL A 70 6.686 0.768 8.816 1.00 0.00 C ATOM 1108 O VAL A 70 6.977 1.249 9.910 1.00 0.00 O ATOM 1109 CB VAL A 70 8.590 1.406 7.334 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.114 0.042 7.759 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.964 1.704 5.890 1.00 0.00 C ATOM 0 H VAL A 70 7.163 3.496 8.093 1.00 0.00 H new ATOM 0 HA VAL A 70 6.577 0.985 6.682 1.00 0.00 H new ATOM 0 HB VAL A 70 9.055 2.161 7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.194 0.008 7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.879 -0.127 8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.645 -0.733 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.046 1.647 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.490 0.974 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.624 2.705 5.625 1.00 0.00 H new ATOM 1121 N GLY A 71 6.036 -0.384 8.682 1.00 0.00 N ATOM 1122 CA GLY A 71 5.629 -1.146 9.848 1.00 0.00 C ATOM 1123 C GLY A 71 4.130 -1.107 10.072 1.00 0.00 C ATOM 1124 O GLY A 71 3.548 -2.059 10.594 1.00 0.00 O ATOM 0 H GLY A 71 5.784 -0.803 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.949 -2.181 9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.135 -0.753 10.730 1.00 0.00 H new ATOM 1128 N LEU A 72 3.503 -0.004 9.678 1.00 0.00 N ATOM 1129 CA LEU A 72 2.062 0.156 9.840 1.00 0.00 C ATOM 1130 C LEU A 72 1.302 -0.759 8.886 1.00 0.00 C ATOM 1131 O LEU A 72 1.896 -1.399 8.018 1.00 0.00 O ATOM 1132 CB LEU A 72 1.661 1.612 9.597 1.00 0.00 C ATOM 1133 CG LEU A 72 2.241 2.640 10.569 1.00 0.00 C ATOM 1134 CD1 LEU A 72 2.001 4.052 10.059 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.640 2.462 11.955 1.00 0.00 C ATOM 0 H LEU A 72 3.970 0.793 9.244 1.00 0.00 H new ATOM 0 HA LEU A 72 1.803 -0.120 10.862 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.963 1.887 8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.574 1.679 9.635 1.00 0.00 H new ATOM 0 HG LEU A 72 3.317 2.479 10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.421 4.770 10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.480 4.174 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.930 4.226 9.959 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.064 3.202 12.633 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.559 2.595 11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.865 1.461 12.323 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.016 -0.815 9.052 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.858 -1.651 8.205 1.00 0.00 C ATOM 1149 C ARG A 73 -1.680 -0.797 7.244 1.00 0.00 C ATOM 1150 O ARG A 73 -2.084 0.317 7.577 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.787 -2.511 9.063 1.00 0.00 C ATOM 1152 CG ARG A 73 -2.139 -1.879 10.400 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.072 -2.158 11.447 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.615 -2.134 12.802 1.00 0.00 N ATOM 1155 CZ ARG A 73 -0.931 -2.518 13.875 1.00 0.00 C ATOM 1156 NH1 ARG A 73 0.315 -2.952 13.750 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -1.494 -2.467 15.075 1.00 0.00 N ATOM 0 H ARG A 73 -0.523 -0.291 9.765 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.209 -2.303 7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.705 -2.703 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.314 -3.477 9.240 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.255 -0.802 10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.098 -2.265 10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.621 -3.132 11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.278 -1.416 11.362 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.571 -1.805 12.932 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.751 -2.992 12.829 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.838 -3.246 14.575 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.453 -2.133 15.175 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.968 -2.762 15.898 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.924 -1.328 6.050 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.699 -0.615 5.041 1.00 0.00 C ATOM 1173 C VAL A 74 -4.124 -1.150 4.964 1.00 0.00 C ATOM 1174 O VAL A 74 -4.355 -2.352 5.093 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.045 -0.725 3.651 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.923 -0.072 2.594 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.658 -0.101 3.664 1.00 0.00 C ATOM 0 H VAL A 74 -1.597 -2.249 5.758 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.723 0.433 5.341 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.941 -1.781 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.444 -0.160 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.893 -0.569 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.062 0.982 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.211 -0.188 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.735 0.952 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.033 -0.619 4.391 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.077 -0.249 4.752 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.482 -0.629 4.659 1.00 0.00 C ATOM 1189 C TYR A 75 -7.054 -0.270 3.291 1.00 0.00 C ATOM 1190 O TYR A 75 -6.521 0.588 2.589 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.291 0.057 5.760 1.00 0.00 C ATOM 1192 CG TYR A 75 -6.970 -0.444 7.150 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.670 -0.409 7.639 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.967 -0.950 7.975 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.372 -0.867 8.908 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.678 -1.409 9.246 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.379 -1.365 9.707 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.087 -1.821 10.973 1.00 0.00 O ATOM 0 H TYR A 75 -4.902 0.750 4.641 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.550 -1.709 4.788 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.107 1.131 5.719 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.353 -0.092 5.565 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.879 -0.017 7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.985 -0.985 7.617 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.356 -0.835 9.272 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.465 -1.800 9.874 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.126 -1.074 11.607 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.145 -0.932 2.921 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.793 -0.681 1.640 1.00 0.00 C ATOM 1210 C ALA A 76 -10.253 -0.284 1.831 1.00 0.00 C ATOM 1211 O ALA A 76 -10.830 -0.502 2.896 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.691 -1.910 0.748 1.00 0.00 C ATOM 0 H ALA A 76 -8.599 -1.646 3.490 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.278 0.150 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.179 -1.709 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.641 -2.148 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.179 -2.754 1.235 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.844 0.300 0.794 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.236 0.729 0.850 1.00 0.00 C ATOM 1220 C GLU A 77 -13.099 -0.099 -0.099 1.00 0.00 C ATOM 1221 O GLU A 77 -12.704 -0.378 -1.231 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.351 2.213 0.497 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.503 2.917 1.194 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.693 2.005 1.420 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -14.727 1.321 2.464 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.591 1.975 0.552 1.00 0.00 O ATOM 0 H GLU A 77 -10.380 0.487 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.595 0.577 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.419 2.713 0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.474 2.313 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.160 3.305 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.815 3.774 0.597 1.00 0.00 H new ATOM 1233 N VAL A 78 -14.280 -0.488 0.371 1.00 0.00 N ATOM 1234 CA VAL A 78 -15.200 -1.282 -0.434 1.00 0.00 C ATOM 1235 C VAL A 78 -15.865 -0.431 -1.509 1.00 0.00 C ATOM 1236 O VAL A 78 -16.739 -0.902 -2.236 1.00 0.00 O ATOM 1237 CB VAL A 78 -16.290 -1.933 0.438 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.973 -3.064 -0.317 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.697 -2.436 1.745 1.00 0.00 C ATOM 0 H VAL A 78 -14.622 -0.266 1.306 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.610 -2.065 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 78 -17.041 -1.179 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.740 -3.512 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.434 -2.671 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -16.235 -3.821 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.481 -2.893 2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.925 -3.176 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.259 -1.601 2.291 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.444 0.826 -1.605 1.00 0.00 N ATOM 1250 CA ALA A 79 -15.997 1.744 -2.594 1.00 0.00 C ATOM 1251 C ALA A 79 -15.189 1.710 -3.887 1.00 0.00 C ATOM 1252 O ALA A 79 -15.741 1.843 -4.979 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.043 3.158 -2.034 1.00 0.00 C ATOM 0 H ALA A 79 -14.722 1.232 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.013 1.423 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.458 3.833 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.670 3.176 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.034 3.480 -1.775 1.00 0.00 H new ATOM 1259 N ASP A 80 -13.879 1.533 -3.755 1.00 0.00 N ATOM 1260 CA ASP A 80 -12.994 1.482 -4.913 1.00 0.00 C ATOM 1261 C ASP A 80 -12.839 0.050 -5.416 1.00 0.00 C ATOM 1262 O ASP A 80 -12.656 -0.183 -6.612 1.00 0.00 O ATOM 1263 CB ASP A 80 -11.624 2.064 -4.561 1.00 0.00 C ATOM 1264 CG ASP A 80 -10.788 2.362 -5.791 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -11.158 3.281 -6.551 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -9.764 1.677 -5.992 1.00 0.00 O ATOM 0 H ASP A 80 -13.406 1.422 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.441 2.080 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.759 2.980 -3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.088 1.362 -3.922 1.00 0.00 H new ATOM 1271 N LEU A 81 -12.912 -0.905 -4.496 1.00 0.00 N ATOM 1272 CA LEU A 81 -12.778 -2.315 -4.845 1.00 0.00 C ATOM 1273 C LEU A 81 -13.824 -2.722 -5.878 1.00 0.00 C ATOM 1274 O LEU A 81 -14.904 -2.137 -5.968 1.00 0.00 O ATOM 1275 CB LEU A 81 -12.915 -3.186 -3.595 1.00 0.00 C ATOM 1276 CG LEU A 81 -11.758 -3.114 -2.598 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.199 -3.615 -1.231 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.568 -3.917 -3.103 1.00 0.00 C ATOM 0 H LEU A 81 -13.063 -0.729 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.789 -2.464 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.832 -2.903 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.033 -4.223 -3.910 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.453 -2.072 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.362 -3.556 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.020 -2.998 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.531 -4.650 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.754 -3.854 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.860 -4.959 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.236 -3.513 -4.060 1.00 0.00 H new ATOM 1290 N PRO A 82 -13.500 -3.750 -6.676 1.00 0.00 N ATOM 1291 CA PRO A 82 -14.399 -4.260 -7.716 1.00 0.00 C ATOM 1292 C PRO A 82 -15.616 -4.969 -7.132 1.00 0.00 C ATOM 1293 O PRO A 82 -15.682 -5.258 -5.938 1.00 0.00 O ATOM 1294 CB PRO A 82 -13.523 -5.248 -8.489 1.00 0.00 C ATOM 1295 CG PRO A 82 -12.487 -5.682 -7.510 1.00 0.00 C ATOM 1296 CD PRO A 82 -12.230 -4.494 -6.625 1.00 0.00 C ATOM 0 HA PRO A 82 -14.806 -3.459 -8.333 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -14.106 -6.095 -8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.070 -4.777 -9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.834 -6.535 -6.927 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -11.575 -5.994 -8.019 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.982 -4.797 -5.608 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.397 -3.893 -6.991 1.00 0.00 H new ATOM 1304 N PRO A 83 -16.603 -5.258 -7.994 1.00 0.00 N ATOM 1305 CA PRO A 83 -17.836 -5.938 -7.586 1.00 0.00 C ATOM 1306 C PRO A 83 -17.597 -7.399 -7.218 1.00 0.00 C ATOM 1307 O PRO A 83 -16.534 -7.954 -7.497 1.00 0.00 O ATOM 1308 CB PRO A 83 -18.724 -5.838 -8.828 1.00 0.00 C ATOM 1309 CG PRO A 83 -17.771 -5.707 -9.966 1.00 0.00 C ATOM 1310 CD PRO A 83 -16.592 -4.942 -9.432 1.00 0.00 C ATOM 0 HA PRO A 83 -18.274 -5.488 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -19.352 -6.722 -8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -19.391 -4.978 -8.769 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -17.466 -6.686 -10.335 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -18.231 -5.181 -10.802 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -15.662 -5.256 -9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -16.694 -3.871 -9.609 1.00 0.00 H new ATOM 1318 N LEU A 84 -18.592 -8.016 -6.591 1.00 0.00 N ATOM 1319 CA LEU A 84 -18.491 -9.414 -6.185 1.00 0.00 C ATOM 1320 C LEU A 84 -19.129 -10.330 -7.224 1.00 0.00 C ATOM 1321 O LEU A 84 -18.819 -11.519 -7.290 1.00 0.00 O ATOM 1322 CB LEU A 84 -19.160 -9.621 -4.825 1.00 0.00 C ATOM 1323 CG LEU A 84 -20.681 -9.776 -4.843 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -21.161 -10.482 -3.585 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -21.354 -8.418 -4.984 1.00 0.00 C ATOM 0 H LEU A 84 -19.478 -7.571 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 84 -17.434 -9.668 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.730 -10.509 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.908 -8.775 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.954 -10.386 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.246 -10.583 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.706 -11.471 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.876 -9.899 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -22.436 -8.548 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -21.073 -7.784 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -21.035 -7.949 -5.915 1.00 0.00 H new ATOM 1337 N GLU A 85 -20.020 -9.768 -8.034 1.00 0.00 N ATOM 1338 CA GLU A 85 -20.700 -10.535 -9.071 1.00 0.00 C ATOM 1339 C GLU A 85 -20.488 -9.903 -10.443 1.00 0.00 C ATOM 1340 O GLU A 85 -20.689 -8.702 -10.622 1.00 0.00 O ATOM 1341 CB GLU A 85 -22.197 -10.630 -8.767 1.00 0.00 C ATOM 1342 CG GLU A 85 -22.923 -11.670 -9.603 1.00 0.00 C ATOM 1343 CD GLU A 85 -23.031 -11.275 -11.062 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -23.867 -10.403 -11.380 1.00 0.00 O ATOM 1345 OE2 GLU A 85 -22.281 -11.836 -11.887 1.00 0.00 O ATOM 0 H GLU A 85 -20.288 -8.785 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 85 -20.274 -11.538 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -22.330 -10.867 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -22.656 -9.656 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -22.399 -12.623 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -23.923 -11.823 -9.197 1.00 0.00 H new TER 1352 GLU A 85