USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 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 37 SER OG : rot -136:sc= -2.99! USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 8 CYS SG : rot 8:sc= -3.63! USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.424 (180deg=-0.742) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 149:sc= 0.612 USER MOD Single : A 36 GLN : amide:sc= 0.418 K(o=0.42,f=-3.9!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 158:sc= 1.07 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.0294 (180deg=-0.135) USER MOD Single : A 50 THR OG1 : rot 74:sc= -7.64! USER MOD Single : A 57 CYS SG : rot -162:sc= -0.927 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 70 CYS SG : rot -1:sc= -0.331! USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 57.324 -3.146 -9.189 1.00 0.00 N ATOM 56 CA TRP A 5 58.333 -3.746 -8.272 1.00 0.00 C ATOM 57 C TRP A 5 59.721 -3.642 -8.908 1.00 0.00 C ATOM 58 O TRP A 5 60.139 -4.502 -9.657 1.00 0.00 O ATOM 59 CB TRP A 5 57.985 -5.216 -8.028 1.00 0.00 C ATOM 60 CG TRP A 5 56.574 -5.317 -7.542 1.00 0.00 C ATOM 61 CD1 TRP A 5 55.496 -5.539 -8.329 1.00 0.00 C ATOM 62 CD2 TRP A 5 56.069 -5.203 -6.179 1.00 0.00 C ATOM 63 NE1 TRP A 5 54.362 -5.570 -7.536 1.00 0.00 N ATOM 64 CE2 TRP A 5 54.664 -5.369 -6.204 1.00 0.00 C ATOM 65 CE3 TRP A 5 56.688 -4.976 -4.936 1.00 0.00 C ATOM 66 CZ2 TRP A 5 53.900 -5.310 -5.037 1.00 0.00 C ATOM 67 CZ3 TRP A 5 55.922 -4.916 -3.761 1.00 0.00 C ATOM 68 CH2 TRP A 5 54.531 -5.083 -3.811 1.00 0.00 C ATOM 0 HA TRP A 5 58.331 -3.212 -7.322 1.00 0.00 H new ATOM 0 HB2 TRP A 5 58.106 -5.788 -8.948 1.00 0.00 H new ATOM 0 HB3 TRP A 5 58.666 -5.646 -7.293 1.00 0.00 H new ATOM 0 HD1 TRP A 5 55.517 -5.671 -9.401 1.00 0.00 H new ATOM 0 HE1 TRP A 5 53.419 -5.723 -7.892 1.00 0.00 H new ATOM 0 HE3 TRP A 5 57.759 -4.847 -4.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 52.829 -5.439 -5.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 56.407 -4.740 -2.812 1.00 0.00 H new ATOM 0 HH2 TRP A 5 53.948 -5.036 -2.903 1.00 0.00 H new ATOM 79 N LEU A 6 60.438 -2.590 -8.616 1.00 0.00 N ATOM 80 CA LEU A 6 61.797 -2.424 -9.204 1.00 0.00 C ATOM 81 C LEU A 6 62.854 -2.804 -8.165 1.00 0.00 C ATOM 82 O LEU A 6 62.597 -2.808 -6.978 1.00 0.00 O ATOM 83 CB LEU A 6 61.996 -0.963 -9.619 1.00 0.00 C ATOM 84 CG LEU A 6 61.837 -0.059 -8.396 1.00 0.00 C ATOM 85 CD1 LEU A 6 63.002 0.930 -8.336 1.00 0.00 C ATOM 86 CD2 LEU A 6 60.519 0.714 -8.502 1.00 0.00 C ATOM 0 H LEU A 6 60.140 -1.838 -7.995 1.00 0.00 H new ATOM 0 HA LEU A 6 61.896 -3.070 -10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 6 62.985 -0.830 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 6 61.269 -0.689 -10.384 1.00 0.00 H new ATOM 0 HG LEU A 6 61.831 -0.669 -7.493 1.00 0.00 H new ATOM 0 HD11 LEU A 6 62.888 1.574 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.941 0.382 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.008 1.540 -9.239 1.00 0.00 H new ATOM 0 HD21 LEU A 6 60.404 1.359 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 6 60.526 1.323 -9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 6 59.687 0.011 -8.545 1.00 0.00 H new ATOM 98 N ASP A 7 64.042 -3.120 -8.602 1.00 0.00 N ATOM 99 CA ASP A 7 65.112 -3.493 -7.636 1.00 0.00 C ATOM 100 C ASP A 7 65.170 -2.448 -6.521 1.00 0.00 C ATOM 101 O ASP A 7 65.172 -1.260 -6.774 1.00 0.00 O ATOM 102 CB ASP A 7 66.459 -3.543 -8.362 1.00 0.00 C ATOM 103 CG ASP A 7 67.529 -4.086 -7.414 1.00 0.00 C ATOM 104 OD1 ASP A 7 67.951 -3.345 -6.543 1.00 0.00 O ATOM 105 OD2 ASP A 7 67.906 -5.235 -7.575 1.00 0.00 O ATOM 0 H ASP A 7 64.317 -3.136 -9.584 1.00 0.00 H new ATOM 0 HA ASP A 7 64.896 -4.472 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 7 66.385 -4.177 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 7 66.735 -2.547 -8.707 1.00 0.00 H new ATOM 110 N CYS A 8 65.213 -2.878 -5.289 1.00 0.00 N ATOM 111 CA CYS A 8 65.267 -1.906 -4.159 1.00 0.00 C ATOM 112 C CYS A 8 66.726 -1.713 -3.724 1.00 0.00 C ATOM 113 O CYS A 8 67.316 -2.606 -3.150 1.00 0.00 O ATOM 114 CB CYS A 8 64.463 -2.456 -2.981 1.00 0.00 C ATOM 115 SG CYS A 8 64.722 -1.400 -1.534 1.00 0.00 S ATOM 0 H CYS A 8 65.213 -3.861 -5.016 1.00 0.00 H new ATOM 0 HA CYS A 8 64.848 -0.952 -4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 8 63.403 -2.492 -3.234 1.00 0.00 H new ATOM 0 HB3 CYS A 8 64.773 -3.477 -2.760 1.00 0.00 H new ATOM 0 HG CYS A 8 65.390 -0.341 -1.884 1.00 0.00 H new ATOM 121 N PRO A 9 67.269 -0.555 -4.008 1.00 0.00 N ATOM 122 CA PRO A 9 68.661 -0.229 -3.650 1.00 0.00 C ATOM 123 C PRO A 9 68.763 0.137 -2.166 1.00 0.00 C ATOM 124 O PRO A 9 69.757 -0.126 -1.520 1.00 0.00 O ATOM 125 CB PRO A 9 68.987 0.978 -4.533 1.00 0.00 C ATOM 126 CG PRO A 9 67.630 1.620 -4.911 1.00 0.00 C ATOM 127 CD PRO A 9 66.557 0.534 -4.708 1.00 0.00 C ATOM 0 HA PRO A 9 69.348 -1.062 -3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 9 69.619 1.689 -4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 9 69.534 0.671 -5.425 1.00 0.00 H new ATOM 0 HG2 PRO A 9 67.425 2.489 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 9 67.640 1.966 -5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 9 65.720 0.907 -4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 9 66.149 0.195 -5.660 1.00 0.00 H new ATOM 135 N ALA A 10 67.743 0.743 -1.623 1.00 0.00 N ATOM 136 CA ALA A 10 67.787 1.125 -0.183 1.00 0.00 C ATOM 137 C ALA A 10 68.239 -0.075 0.650 1.00 0.00 C ATOM 138 O ALA A 10 69.212 -0.008 1.374 1.00 0.00 O ATOM 139 CB ALA A 10 66.394 1.564 0.272 1.00 0.00 C ATOM 0 H ALA A 10 66.883 0.990 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 10 68.490 1.947 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 10 66.426 1.843 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 10 66.071 2.420 -0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.691 0.742 0.136 1.00 0.00 H new ATOM 145 N LEU A 11 67.540 -1.174 0.557 1.00 0.00 N ATOM 146 CA LEU A 11 67.935 -2.372 1.348 1.00 0.00 C ATOM 147 C LEU A 11 68.961 -3.191 0.562 1.00 0.00 C ATOM 148 O LEU A 11 70.049 -3.454 1.034 1.00 0.00 O ATOM 149 CB LEU A 11 66.700 -3.231 1.634 1.00 0.00 C ATOM 150 CG LEU A 11 65.507 -2.331 1.974 1.00 0.00 C ATOM 151 CD1 LEU A 11 64.415 -3.165 2.646 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.954 -1.222 2.930 1.00 0.00 C ATOM 0 H LEU A 11 66.715 -1.293 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 11 68.376 -2.051 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 11 66.466 -3.848 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 11 66.902 -3.910 2.462 1.00 0.00 H new ATOM 0 HG LEU A 11 65.119 -1.887 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 11 63.566 -2.526 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 11 64.092 -3.956 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 11 64.807 -3.609 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.104 -0.584 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.344 -1.666 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.733 -0.625 2.456 1.00 0.00 H new ATOM 164 N GLY A 12 68.629 -3.595 -0.635 1.00 0.00 N ATOM 165 CA GLY A 12 69.597 -4.393 -1.439 1.00 0.00 C ATOM 166 C GLY A 12 68.845 -5.249 -2.464 1.00 0.00 C ATOM 167 O GLY A 12 67.784 -4.877 -2.923 1.00 0.00 O ATOM 0 H GLY A 12 67.734 -3.408 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 12 70.294 -3.728 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 12 70.188 -5.032 -0.783 1.00 0.00 H new ATOM 171 N PRO A 13 69.426 -6.375 -2.792 1.00 0.00 N ATOM 172 CA PRO A 13 68.845 -7.316 -3.766 1.00 0.00 C ATOM 173 C PRO A 13 67.707 -8.114 -3.124 1.00 0.00 C ATOM 174 O PRO A 13 67.614 -8.222 -1.918 1.00 0.00 O ATOM 175 CB PRO A 13 70.019 -8.228 -4.131 1.00 0.00 C ATOM 176 CG PRO A 13 71.025 -8.132 -2.960 1.00 0.00 C ATOM 177 CD PRO A 13 70.715 -6.817 -2.221 1.00 0.00 C ATOM 0 HA PRO A 13 68.413 -6.821 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 13 69.684 -9.256 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 13 70.480 -7.912 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 13 70.923 -8.986 -2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 13 72.051 -8.137 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 13 70.641 -6.973 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 13 71.497 -6.075 -2.383 1.00 0.00 H new ATOM 185 N GLY A 14 66.839 -8.671 -3.924 1.00 0.00 N ATOM 186 CA GLY A 14 65.706 -9.458 -3.362 1.00 0.00 C ATOM 187 C GLY A 14 64.571 -8.508 -2.976 1.00 0.00 C ATOM 188 O GLY A 14 63.439 -8.680 -3.382 1.00 0.00 O ATOM 0 H GLY A 14 66.866 -8.615 -4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 14 65.354 -10.184 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 14 66.037 -10.021 -2.489 1.00 0.00 H new ATOM 192 N TRP A 15 64.865 -7.502 -2.197 1.00 0.00 N ATOM 193 CA TRP A 15 63.803 -6.542 -1.789 1.00 0.00 C ATOM 194 C TRP A 15 63.285 -5.800 -3.021 1.00 0.00 C ATOM 195 O TRP A 15 64.042 -5.211 -3.768 1.00 0.00 O ATOM 196 CB TRP A 15 64.379 -5.533 -0.794 1.00 0.00 C ATOM 197 CG TRP A 15 63.304 -5.097 0.149 1.00 0.00 C ATOM 198 CD1 TRP A 15 62.927 -3.815 0.357 1.00 0.00 C ATOM 199 CD2 TRP A 15 62.462 -5.916 1.010 1.00 0.00 C ATOM 200 NE1 TRP A 15 61.911 -3.795 1.294 1.00 0.00 N ATOM 201 CE2 TRP A 15 61.587 -5.065 1.724 1.00 0.00 C ATOM 202 CE3 TRP A 15 62.373 -7.299 1.239 1.00 0.00 C ATOM 203 CZ2 TRP A 15 60.658 -5.568 2.633 1.00 0.00 C ATOM 204 CZ3 TRP A 15 61.437 -7.810 2.154 1.00 0.00 C ATOM 205 CH2 TRP A 15 60.582 -6.945 2.849 1.00 0.00 C ATOM 0 H TRP A 15 65.795 -7.305 -1.826 1.00 0.00 H new ATOM 0 HA TRP A 15 62.984 -7.087 -1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 15 65.204 -5.982 -0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 15 64.783 -4.672 -1.326 1.00 0.00 H new ATOM 0 HD1 TRP A 15 63.350 -2.949 -0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 15 61.456 -2.945 1.627 1.00 0.00 H new ATOM 0 HE3 TRP A 15 63.028 -7.974 0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 60.001 -4.897 3.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 61.376 -8.875 2.322 1.00 0.00 H new ATOM 0 HH2 TRP A 15 59.865 -7.343 3.551 1.00 0.00 H new ATOM 216 N LYS A 16 62.000 -5.819 -3.241 1.00 0.00 N ATOM 217 CA LYS A 16 61.437 -5.111 -4.424 1.00 0.00 C ATOM 218 C LYS A 16 60.706 -3.852 -3.959 1.00 0.00 C ATOM 219 O LYS A 16 59.688 -3.922 -3.298 1.00 0.00 O ATOM 220 CB LYS A 16 60.456 -6.029 -5.154 1.00 0.00 C ATOM 221 CG LYS A 16 60.864 -6.146 -6.624 1.00 0.00 C ATOM 222 CD LYS A 16 62.245 -6.799 -6.720 1.00 0.00 C ATOM 223 CE LYS A 16 62.941 -6.338 -8.003 1.00 0.00 C ATOM 224 NZ LYS A 16 64.360 -6.793 -7.988 1.00 0.00 N ATOM 0 H LYS A 16 61.315 -6.294 -2.653 1.00 0.00 H new ATOM 0 HA LYS A 16 62.246 -4.836 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 16 60.448 -7.014 -4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.444 -5.632 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 16 60.131 -6.740 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.884 -5.159 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 16 62.846 -6.531 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 16 62.146 -7.885 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 16 62.427 -6.743 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 16 62.897 -5.252 -8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 64.897 -6.279 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 64.775 -6.605 -7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 64.400 -7.813 -8.186 1.00 0.00 H new ATOM 238 N ARG A 17 61.217 -2.699 -4.295 1.00 0.00 N ATOM 239 CA ARG A 17 60.551 -1.437 -3.871 1.00 0.00 C ATOM 240 C ARG A 17 59.490 -1.049 -4.903 1.00 0.00 C ATOM 241 O ARG A 17 59.797 -0.767 -6.045 1.00 0.00 O ATOM 242 CB ARG A 17 61.589 -0.319 -3.763 1.00 0.00 C ATOM 243 CG ARG A 17 61.278 0.543 -2.537 1.00 0.00 C ATOM 244 CD ARG A 17 62.583 1.042 -1.910 1.00 0.00 C ATOM 245 NE ARG A 17 63.613 1.214 -2.971 1.00 0.00 N ATOM 246 CZ ARG A 17 63.793 2.382 -3.523 1.00 0.00 C ATOM 247 NH1 ARG A 17 64.642 3.226 -3.003 1.00 0.00 N ATOM 248 NH2 ARG A 17 63.121 2.707 -4.594 1.00 0.00 N ATOM 0 H ARG A 17 62.067 -2.577 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 17 60.078 -1.586 -2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 17 62.590 -0.743 -3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 17 61.576 0.293 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 17 60.655 1.390 -2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 17 60.712 -0.036 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 17 62.413 1.989 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 17 62.933 0.332 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 17 64.178 0.418 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 17 65.165 2.972 -2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 17 64.783 4.139 -3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 17 62.456 2.048 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 17 63.261 3.620 -5.026 1.00 0.00 H new ATOM 262 N ARG A 18 58.245 -1.030 -4.513 1.00 0.00 N ATOM 263 CA ARG A 18 57.170 -0.659 -5.475 1.00 0.00 C ATOM 264 C ARG A 18 56.844 0.827 -5.327 1.00 0.00 C ATOM 265 O ARG A 18 56.815 1.362 -4.236 1.00 0.00 O ATOM 266 CB ARG A 18 55.915 -1.487 -5.189 1.00 0.00 C ATOM 267 CG ARG A 18 54.883 -1.246 -6.292 1.00 0.00 C ATOM 268 CD ARG A 18 53.642 -2.099 -6.027 1.00 0.00 C ATOM 269 NE ARG A 18 52.741 -1.383 -5.080 1.00 0.00 N ATOM 270 CZ ARG A 18 51.474 -1.245 -5.362 1.00 0.00 C ATOM 271 NH1 ARG A 18 51.099 -1.020 -6.592 1.00 0.00 N ATOM 272 NH2 ARG A 18 50.582 -1.331 -4.414 1.00 0.00 N ATOM 0 H ARG A 18 57.926 -1.255 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 18 57.511 -0.858 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.169 -2.546 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.498 -1.213 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 18 54.611 -0.191 -6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.309 -1.497 -7.264 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.119 -2.300 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.933 -3.064 -5.611 1.00 0.00 H new ATOM 0 HE ARG A 18 53.115 -1.001 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 18 51.796 -0.952 -7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 18 50.109 -0.912 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 18 50.875 -1.506 -3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 18 49.592 -1.223 -4.634 1.00 0.00 H new ATOM 286 N GLU A 19 56.598 1.500 -6.417 1.00 0.00 N ATOM 287 CA GLU A 19 56.274 2.952 -6.339 1.00 0.00 C ATOM 288 C GLU A 19 54.837 3.180 -6.812 1.00 0.00 C ATOM 289 O GLU A 19 54.490 2.884 -7.937 1.00 0.00 O ATOM 290 CB GLU A 19 57.235 3.733 -7.236 1.00 0.00 C ATOM 291 CG GLU A 19 56.915 3.441 -8.703 1.00 0.00 C ATOM 292 CD GLU A 19 58.210 3.438 -9.517 1.00 0.00 C ATOM 293 OE1 GLU A 19 58.927 4.423 -9.455 1.00 0.00 O ATOM 294 OE2 GLU A 19 58.461 2.451 -10.188 1.00 0.00 O ATOM 0 H GLU A 19 56.607 1.107 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 19 56.375 3.294 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 19 57.146 4.801 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 19 58.265 3.453 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.415 2.477 -8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 56.229 4.193 -9.093 1.00 0.00 H new ATOM 301 N VAL A 20 53.998 3.704 -5.961 1.00 0.00 N ATOM 302 CA VAL A 20 52.585 3.947 -6.365 1.00 0.00 C ATOM 303 C VAL A 20 52.218 5.408 -6.098 1.00 0.00 C ATOM 304 O VAL A 20 52.825 6.073 -5.283 1.00 0.00 O ATOM 305 CB VAL A 20 51.662 3.032 -5.560 1.00 0.00 C ATOM 306 CG1 VAL A 20 50.242 3.121 -6.120 1.00 0.00 C ATOM 307 CG2 VAL A 20 52.161 1.589 -5.663 1.00 0.00 C ATOM 0 H VAL A 20 54.230 3.974 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 20 52.470 3.736 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 20 51.661 3.343 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 20 49.583 2.469 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 20 49.887 4.149 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 20 50.242 2.809 -7.164 1.00 0.00 H new ATOM 0 HG21 VAL A 20 51.504 0.935 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 20 52.161 1.278 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 20 53.174 1.525 -5.265 1.00 0.00 H new ATOM 478 N ASP A 32 52.894 6.449 -2.422 1.00 0.00 N ATOM 479 CA ASP A 32 53.189 5.450 -1.356 1.00 0.00 C ATOM 480 C ASP A 32 54.170 4.407 -1.897 1.00 0.00 C ATOM 481 O ASP A 32 54.121 4.039 -3.054 1.00 0.00 O ATOM 482 CB ASP A 32 51.890 4.761 -0.932 1.00 0.00 C ATOM 483 CG ASP A 32 50.861 5.816 -0.525 1.00 0.00 C ATOM 484 OD1 ASP A 32 50.857 6.197 0.634 1.00 0.00 O ATOM 485 OD2 ASP A 32 50.094 6.228 -1.381 1.00 0.00 O ATOM 0 HA ASP A 32 53.630 5.952 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.502 4.157 -1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.080 4.084 -0.100 1.00 0.00 H new ATOM 490 N THR A 33 55.062 3.929 -1.073 1.00 0.00 N ATOM 491 CA THR A 33 56.043 2.913 -1.548 1.00 0.00 C ATOM 492 C THR A 33 55.809 1.589 -0.818 1.00 0.00 C ATOM 493 O THR A 33 55.875 1.515 0.393 1.00 0.00 O ATOM 494 CB THR A 33 57.464 3.406 -1.264 1.00 0.00 C ATOM 495 OG1 THR A 33 57.650 4.679 -1.864 1.00 0.00 O ATOM 496 CG2 THR A 33 58.475 2.413 -1.840 1.00 0.00 C ATOM 0 H THR A 33 55.154 4.198 -0.093 1.00 0.00 H new ATOM 0 HA THR A 33 55.915 2.762 -2.620 1.00 0.00 H new ATOM 0 HB THR A 33 57.613 3.487 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 33 58.559 4.997 -1.682 1.00 0.00 H new ATOM 0 HG21 THR A 33 59.487 2.765 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 33 58.331 1.437 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 33 58.329 2.329 -2.917 1.00 0.00 H new ATOM 504 N TYR A 34 55.542 0.540 -1.547 1.00 0.00 N ATOM 505 CA TYR A 34 55.310 -0.782 -0.898 1.00 0.00 C ATOM 506 C TYR A 34 56.552 -1.656 -1.080 1.00 0.00 C ATOM 507 O TYR A 34 57.342 -1.444 -1.979 1.00 0.00 O ATOM 508 CB TYR A 34 54.106 -1.466 -1.547 1.00 0.00 C ATOM 509 CG TYR A 34 52.847 -0.705 -1.204 1.00 0.00 C ATOM 510 CD1 TYR A 34 52.666 0.600 -1.679 1.00 0.00 C ATOM 511 CD2 TYR A 34 51.862 -1.304 -0.411 1.00 0.00 C ATOM 512 CE1 TYR A 34 51.499 1.305 -1.360 1.00 0.00 C ATOM 513 CE2 TYR A 34 50.695 -0.599 -0.093 1.00 0.00 C ATOM 514 CZ TYR A 34 50.515 0.706 -0.567 1.00 0.00 C ATOM 515 OH TYR A 34 49.365 1.400 -0.253 1.00 0.00 O ATOM 0 H TYR A 34 55.474 0.541 -2.565 1.00 0.00 H new ATOM 0 HA TYR A 34 55.114 -0.639 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 34 54.236 -1.505 -2.628 1.00 0.00 H new ATOM 0 HB3 TYR A 34 54.028 -2.496 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 34 53.426 1.062 -2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 34 52.002 -2.310 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 34 51.359 2.311 -1.726 1.00 0.00 H new ATOM 0 HE2 TYR A 34 49.934 -1.062 0.518 1.00 0.00 H new ATOM 0 HH TYR A 34 48.786 0.839 0.304 1.00 0.00 H new ATOM 525 N TYR A 35 56.738 -2.634 -0.235 1.00 0.00 N ATOM 526 CA TYR A 35 57.937 -3.508 -0.371 1.00 0.00 C ATOM 527 C TYR A 35 57.514 -4.978 -0.357 1.00 0.00 C ATOM 528 O TYR A 35 56.650 -5.380 0.398 1.00 0.00 O ATOM 529 CB TYR A 35 58.893 -3.236 0.789 1.00 0.00 C ATOM 530 CG TYR A 35 59.170 -1.755 0.855 1.00 0.00 C ATOM 531 CD1 TYR A 35 58.176 -0.879 1.303 1.00 0.00 C ATOM 532 CD2 TYR A 35 60.417 -1.257 0.461 1.00 0.00 C ATOM 533 CE1 TYR A 35 58.427 0.497 1.356 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.668 0.119 0.513 1.00 0.00 C ATOM 535 CZ TYR A 35 59.673 0.996 0.961 1.00 0.00 C ATOM 536 OH TYR A 35 59.919 2.352 1.012 1.00 0.00 O ATOM 0 H TYR A 35 56.115 -2.864 0.539 1.00 0.00 H new ATOM 0 HA TYR A 35 58.437 -3.292 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 35 58.456 -3.580 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 35 59.823 -3.788 0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 35 57.214 -1.264 1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 35 61.185 -1.934 0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 35 57.659 1.173 1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.630 0.504 0.207 1.00 0.00 H new ATOM 0 HH TYR A 35 60.869 2.505 1.196 1.00 0.00 H new ATOM 546 N GLN A 36 58.119 -5.783 -1.187 1.00 0.00 N ATOM 547 CA GLN A 36 57.757 -7.227 -1.224 1.00 0.00 C ATOM 548 C GLN A 36 59.014 -8.071 -1.010 1.00 0.00 C ATOM 549 O GLN A 36 60.025 -7.872 -1.655 1.00 0.00 O ATOM 550 CB GLN A 36 57.140 -7.564 -2.583 1.00 0.00 C ATOM 551 CG GLN A 36 56.867 -9.067 -2.665 1.00 0.00 C ATOM 552 CD GLN A 36 56.344 -9.414 -4.059 1.00 0.00 C ATOM 553 OE1 GLN A 36 55.161 -9.628 -4.242 1.00 0.00 O ATOM 554 NE2 GLN A 36 57.179 -9.477 -5.059 1.00 0.00 N ATOM 0 H GLN A 36 58.849 -5.502 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 36 57.036 -7.442 -0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 36 56.213 -7.008 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 36 57.814 -7.263 -3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 36 57.780 -9.625 -2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 36 56.138 -9.357 -1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 36 58.172 -9.298 -4.907 1.00 0.00 H new ATOM 0 HE22 GLN A 36 56.839 -9.706 -5.993 1.00 0.00 H new ATOM 563 N SER A 37 58.961 -9.013 -0.109 1.00 0.00 N ATOM 564 CA SER A 37 60.154 -9.868 0.144 1.00 0.00 C ATOM 565 C SER A 37 60.384 -10.788 -1.059 1.00 0.00 C ATOM 566 O SER A 37 59.602 -10.795 -1.989 1.00 0.00 O ATOM 567 CB SER A 37 59.919 -10.712 1.398 1.00 0.00 C ATOM 568 OG SER A 37 58.809 -10.188 2.115 1.00 0.00 O ATOM 0 H SER A 37 58.144 -9.227 0.462 1.00 0.00 H new ATOM 0 HA SER A 37 61.031 -9.238 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.731 -11.750 1.122 1.00 0.00 H new ATOM 0 HB3 SER A 37 60.809 -10.705 2.027 1.00 0.00 H new ATOM 0 HG SER A 37 59.021 -10.160 3.071 1.00 0.00 H new ATOM 574 N PRO A 38 61.455 -11.538 -1.003 1.00 0.00 N ATOM 575 CA PRO A 38 61.823 -12.477 -2.076 1.00 0.00 C ATOM 576 C PRO A 38 60.973 -13.748 -1.984 1.00 0.00 C ATOM 577 O PRO A 38 61.086 -14.643 -2.798 1.00 0.00 O ATOM 578 CB PRO A 38 63.297 -12.780 -1.798 1.00 0.00 C ATOM 579 CG PRO A 38 63.534 -12.464 -0.302 1.00 0.00 C ATOM 580 CD PRO A 38 62.397 -11.520 0.134 1.00 0.00 C ATOM 0 HA PRO A 38 61.660 -12.075 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 38 63.527 -13.823 -2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 38 63.944 -12.172 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 38 63.529 -13.378 0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 38 64.506 -11.994 -0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 38 61.921 -11.867 1.051 1.00 0.00 H new ATOM 0 HD3 PRO A 38 62.768 -10.513 0.328 1.00 0.00 H new ATOM 588 N THR A 39 60.122 -13.831 -0.998 1.00 0.00 N ATOM 589 CA THR A 39 59.264 -15.041 -0.853 1.00 0.00 C ATOM 590 C THR A 39 57.816 -14.677 -1.188 1.00 0.00 C ATOM 591 O THR A 39 56.993 -15.533 -1.442 1.00 0.00 O ATOM 592 CB THR A 39 59.339 -15.555 0.589 1.00 0.00 C ATOM 593 OG1 THR A 39 58.330 -14.925 1.366 1.00 0.00 O ATOM 594 CG2 THR A 39 60.713 -15.236 1.181 1.00 0.00 C ATOM 0 H THR A 39 59.984 -13.113 -0.287 1.00 0.00 H new ATOM 0 HA THR A 39 59.614 -15.818 -1.532 1.00 0.00 H new ATOM 0 HB THR A 39 59.187 -16.634 0.597 1.00 0.00 H new ATOM 0 HG1 THR A 39 58.375 -15.253 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 39 60.762 -15.603 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 39 61.487 -15.720 0.585 1.00 0.00 H new ATOM 0 HG23 THR A 39 60.871 -14.157 1.174 1.00 0.00 H new ATOM 602 N GLY A 40 57.500 -13.411 -1.189 1.00 0.00 N ATOM 603 CA GLY A 40 56.106 -12.991 -1.507 1.00 0.00 C ATOM 604 C GLY A 40 55.513 -12.235 -0.316 1.00 0.00 C ATOM 605 O GLY A 40 54.357 -11.862 -0.319 1.00 0.00 O ATOM 0 H GLY A 40 58.147 -12.649 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 40 56.100 -12.356 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 40 55.496 -13.864 -1.737 1.00 0.00 H new ATOM 609 N ASP A 41 56.296 -12.003 0.703 1.00 0.00 N ATOM 610 CA ASP A 41 55.776 -11.269 1.890 1.00 0.00 C ATOM 611 C ASP A 41 55.721 -9.773 1.571 1.00 0.00 C ATOM 612 O ASP A 41 56.737 -9.115 1.459 1.00 0.00 O ATOM 613 CB ASP A 41 56.704 -11.506 3.083 1.00 0.00 C ATOM 614 CG ASP A 41 55.919 -12.168 4.218 1.00 0.00 C ATOM 615 OD1 ASP A 41 55.656 -13.356 4.116 1.00 0.00 O ATOM 616 OD2 ASP A 41 55.594 -11.477 5.169 1.00 0.00 O ATOM 0 H ASP A 41 57.273 -12.290 0.764 1.00 0.00 H new ATOM 0 HA ASP A 41 54.776 -11.627 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 41 57.540 -12.140 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 41 57.126 -10.560 3.422 1.00 0.00 H new ATOM 621 N ARG A 42 54.543 -9.234 1.416 1.00 0.00 N ATOM 622 CA ARG A 42 54.423 -7.783 1.095 1.00 0.00 C ATOM 623 C ARG A 42 54.161 -6.986 2.376 1.00 0.00 C ATOM 624 O ARG A 42 53.219 -7.242 3.098 1.00 0.00 O ATOM 625 CB ARG A 42 53.262 -7.575 0.121 1.00 0.00 C ATOM 626 CG ARG A 42 53.535 -8.345 -1.172 1.00 0.00 C ATOM 627 CD ARG A 42 52.301 -9.167 -1.546 1.00 0.00 C ATOM 628 NE ARG A 42 52.596 -9.986 -2.754 1.00 0.00 N ATOM 629 CZ ARG A 42 51.945 -11.098 -2.964 1.00 0.00 C ATOM 630 NH1 ARG A 42 51.818 -11.971 -2.002 1.00 0.00 N ATOM 631 NH2 ARG A 42 51.421 -11.336 -4.135 1.00 0.00 N ATOM 0 H ARG A 42 53.658 -9.735 1.498 1.00 0.00 H new ATOM 0 HA ARG A 42 55.352 -7.437 0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.330 -7.918 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.140 -6.513 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.780 -7.651 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 42 54.396 -9.000 -1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.017 -9.814 -0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.456 -8.506 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 42 53.307 -9.678 -3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.227 -11.784 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.309 -12.840 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.520 -10.653 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.912 -12.205 -4.299 1.00 0.00 H new ATOM 645 N ILE A 43 54.987 -6.014 2.655 1.00 0.00 N ATOM 646 CA ILE A 43 54.791 -5.188 3.881 1.00 0.00 C ATOM 647 C ILE A 43 54.559 -3.734 3.471 1.00 0.00 C ATOM 648 O ILE A 43 54.840 -3.345 2.353 1.00 0.00 O ATOM 649 CB ILE A 43 56.036 -5.273 4.763 1.00 0.00 C ATOM 650 CG1 ILE A 43 56.295 -6.733 5.141 1.00 0.00 C ATOM 651 CG2 ILE A 43 55.816 -4.449 6.032 1.00 0.00 C ATOM 652 CD1 ILE A 43 57.548 -7.233 4.420 1.00 0.00 C ATOM 0 H ILE A 43 55.792 -5.756 2.084 1.00 0.00 H new ATOM 0 HA ILE A 43 53.930 -5.558 4.437 1.00 0.00 H new ATOM 0 HB ILE A 43 56.895 -4.882 4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 43 56.423 -6.823 6.220 1.00 0.00 H new ATOM 0 HG13 ILE A 43 55.437 -7.348 4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 43 56.703 -4.508 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 43 55.631 -3.409 5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 43 54.957 -4.841 6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 43 57.732 -8.273 4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 43 57.402 -7.158 3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 43 58.404 -6.625 4.714 1.00 0.00 H new ATOM 664 N ARG A 44 54.048 -2.925 4.358 1.00 0.00 N ATOM 665 CA ARG A 44 53.806 -1.502 3.997 1.00 0.00 C ATOM 666 C ARG A 44 54.468 -0.576 5.016 1.00 0.00 C ATOM 667 O ARG A 44 54.775 0.558 4.718 1.00 0.00 O ATOM 668 CB ARG A 44 52.305 -1.224 3.957 1.00 0.00 C ATOM 669 CG ARG A 44 52.019 -0.244 2.821 1.00 0.00 C ATOM 670 CD ARG A 44 50.589 0.289 2.944 1.00 0.00 C ATOM 671 NE ARG A 44 50.276 0.557 4.376 1.00 0.00 N ATOM 672 CZ ARG A 44 49.080 0.314 4.839 1.00 0.00 C ATOM 673 NH1 ARG A 44 48.788 -0.871 5.302 1.00 0.00 N ATOM 674 NH2 ARG A 44 48.176 1.256 4.841 1.00 0.00 N ATOM 0 H ARG A 44 53.790 -3.186 5.310 1.00 0.00 H new ATOM 0 HA ARG A 44 54.237 -1.315 3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 44 51.753 -2.151 3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 44 51.972 -0.808 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 44 52.729 0.582 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 44 52.151 -0.739 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 44 50.480 1.203 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 44 49.884 -0.436 2.537 1.00 0.00 H new ATOM 0 HE ARG A 44 50.996 0.930 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 44 49.494 -1.607 5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 44 47.853 -1.061 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 44 48.404 2.183 4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 44 47.242 1.065 5.203 1.00 0.00 H new ATOM 688 N SER A 45 54.699 -1.036 6.212 1.00 0.00 N ATOM 689 CA SER A 45 55.352 -0.155 7.217 1.00 0.00 C ATOM 690 C SER A 45 56.839 -0.049 6.880 1.00 0.00 C ATOM 691 O SER A 45 57.352 -0.795 6.071 1.00 0.00 O ATOM 692 CB SER A 45 55.170 -0.739 8.615 1.00 0.00 C ATOM 693 OG SER A 45 54.299 0.099 9.365 1.00 0.00 O ATOM 0 H SER A 45 54.467 -1.975 6.535 1.00 0.00 H new ATOM 0 HA SER A 45 54.898 0.836 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 45 54.758 -1.746 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 45 56.135 -0.821 9.116 1.00 0.00 H new ATOM 0 HG SER A 45 53.900 -0.416 10.097 1.00 0.00 H new ATOM 699 N LYS A 46 57.532 0.881 7.472 1.00 0.00 N ATOM 700 CA LYS A 46 58.980 1.038 7.157 1.00 0.00 C ATOM 701 C LYS A 46 59.823 0.117 8.038 1.00 0.00 C ATOM 702 O LYS A 46 60.496 -0.771 7.553 1.00 0.00 O ATOM 703 CB LYS A 46 59.392 2.492 7.400 1.00 0.00 C ATOM 704 CG LYS A 46 60.914 2.621 7.299 1.00 0.00 C ATOM 705 CD LYS A 46 61.329 4.048 7.661 1.00 0.00 C ATOM 706 CE LYS A 46 61.146 4.269 9.164 1.00 0.00 C ATOM 707 NZ LYS A 46 62.417 4.779 9.751 1.00 0.00 N ATOM 0 H LYS A 46 57.161 1.538 8.158 1.00 0.00 H new ATOM 0 HA LYS A 46 59.146 0.771 6.113 1.00 0.00 H new ATOM 0 HB2 LYS A 46 58.913 3.143 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 46 59.054 2.816 8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 46 61.395 1.909 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 46 61.244 2.380 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 46 62.369 4.217 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 46 60.728 4.765 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 46 60.340 4.981 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 46 60.859 3.335 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 62.368 4.721 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 63.213 4.203 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 62.558 5.769 9.466 1.00 0.00 H new ATOM 721 N VAL A 47 59.809 0.325 9.323 1.00 0.00 N ATOM 722 CA VAL A 47 60.631 -0.542 10.211 1.00 0.00 C ATOM 723 C VAL A 47 59.948 -1.900 10.385 1.00 0.00 C ATOM 724 O VAL A 47 60.568 -2.862 10.790 1.00 0.00 O ATOM 725 CB VAL A 47 60.816 0.135 11.571 1.00 0.00 C ATOM 726 CG1 VAL A 47 61.560 -0.812 12.515 1.00 0.00 C ATOM 727 CG2 VAL A 47 61.637 1.419 11.387 1.00 0.00 C ATOM 0 H VAL A 47 59.269 1.051 9.795 1.00 0.00 H new ATOM 0 HA VAL A 47 61.611 -0.695 9.758 1.00 0.00 H new ATOM 0 HB VAL A 47 59.842 0.378 11.995 1.00 0.00 H new ATOM 0 HG11 VAL A 47 61.692 -0.330 13.484 1.00 0.00 H new ATOM 0 HG12 VAL A 47 60.983 -1.728 12.641 1.00 0.00 H new ATOM 0 HG13 VAL A 47 62.536 -1.053 12.094 1.00 0.00 H new ATOM 0 HG21 VAL A 47 61.772 1.906 12.353 1.00 0.00 H new ATOM 0 HG22 VAL A 47 62.611 1.171 10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 47 61.111 2.093 10.711 1.00 0.00 H new ATOM 737 N GLU A 48 58.683 -2.000 10.066 1.00 0.00 N ATOM 738 CA GLU A 48 57.995 -3.315 10.204 1.00 0.00 C ATOM 739 C GLU A 48 58.491 -4.238 9.099 1.00 0.00 C ATOM 740 O GLU A 48 58.850 -5.373 9.340 1.00 0.00 O ATOM 741 CB GLU A 48 56.484 -3.139 10.079 1.00 0.00 C ATOM 742 CG GLU A 48 55.984 -2.249 11.217 1.00 0.00 C ATOM 743 CD GLU A 48 54.538 -2.616 11.556 1.00 0.00 C ATOM 744 OE1 GLU A 48 54.347 -3.578 12.282 1.00 0.00 O ATOM 745 OE2 GLU A 48 53.647 -1.931 11.083 1.00 0.00 O ATOM 0 H GLU A 48 58.103 -1.236 9.720 1.00 0.00 H new ATOM 0 HA GLU A 48 58.215 -3.741 11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 48 56.237 -2.692 9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 48 55.989 -4.109 10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 48 56.617 -2.374 12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 48 56.045 -1.200 10.926 1.00 0.00 H new ATOM 752 N LEU A 49 58.539 -3.756 7.885 1.00 0.00 N ATOM 753 CA LEU A 49 59.043 -4.617 6.786 1.00 0.00 C ATOM 754 C LEU A 49 60.527 -4.871 7.043 1.00 0.00 C ATOM 755 O LEU A 49 61.100 -5.838 6.578 1.00 0.00 O ATOM 756 CB LEU A 49 58.838 -3.915 5.439 1.00 0.00 C ATOM 757 CG LEU A 49 59.866 -2.798 5.260 1.00 0.00 C ATOM 758 CD1 LEU A 49 61.141 -3.368 4.634 1.00 0.00 C ATOM 759 CD2 LEU A 49 59.282 -1.722 4.337 1.00 0.00 C ATOM 0 H LEU A 49 58.254 -2.815 7.613 1.00 0.00 H new ATOM 0 HA LEU A 49 58.502 -5.563 6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 49 58.930 -4.637 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 49 57.830 -3.503 5.386 1.00 0.00 H new ATOM 0 HG LEU A 49 60.105 -2.362 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 61.872 -2.570 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 49 61.554 -4.138 5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 49 60.906 -3.803 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 49 60.010 -0.922 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 49 59.047 -2.162 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 49 58.373 -1.316 4.781 1.00 0.00 H new ATOM 771 N THR A 50 61.142 -4.013 7.814 1.00 0.00 N ATOM 772 CA THR A 50 62.580 -4.188 8.147 1.00 0.00 C ATOM 773 C THR A 50 62.719 -5.344 9.134 1.00 0.00 C ATOM 774 O THR A 50 63.306 -6.364 8.834 1.00 0.00 O ATOM 775 CB THR A 50 63.112 -2.910 8.794 1.00 0.00 C ATOM 776 OG1 THR A 50 62.797 -1.798 7.971 1.00 0.00 O ATOM 777 CG2 THR A 50 64.628 -3.015 8.963 1.00 0.00 C ATOM 0 H THR A 50 60.702 -3.192 8.229 1.00 0.00 H new ATOM 0 HA THR A 50 63.146 -4.399 7.240 1.00 0.00 H new ATOM 0 HB THR A 50 62.650 -2.777 9.772 1.00 0.00 H new ATOM 0 HG1 THR A 50 61.842 -1.592 8.051 1.00 0.00 H new ATOM 0 HG21 THR A 50 65.007 -2.103 9.425 1.00 0.00 H new ATOM 0 HG22 THR A 50 64.865 -3.869 9.598 1.00 0.00 H new ATOM 0 HG23 THR A 50 65.095 -3.148 7.987 1.00 0.00 H new ATOM 785 N ARG A 51 62.175 -5.197 10.314 1.00 0.00 N ATOM 786 CA ARG A 51 62.276 -6.299 11.311 1.00 0.00 C ATOM 787 C ARG A 51 61.851 -7.604 10.640 1.00 0.00 C ATOM 788 O ARG A 51 62.237 -8.681 11.050 1.00 0.00 O ATOM 789 CB ARG A 51 61.372 -6.015 12.518 1.00 0.00 C ATOM 790 CG ARG A 51 60.186 -5.143 12.099 1.00 0.00 C ATOM 791 CD ARG A 51 58.909 -5.677 12.750 1.00 0.00 C ATOM 792 NE ARG A 51 59.060 -5.637 14.231 1.00 0.00 N ATOM 793 CZ ARG A 51 58.300 -6.381 14.985 1.00 0.00 C ATOM 794 NH1 ARG A 51 58.540 -7.659 15.092 1.00 0.00 N ATOM 795 NH2 ARG A 51 57.302 -5.847 15.634 1.00 0.00 N ATOM 0 H ARG A 51 61.670 -4.368 10.627 1.00 0.00 H new ATOM 0 HA ARG A 51 63.304 -6.377 11.665 1.00 0.00 H new ATOM 0 HB2 ARG A 51 61.011 -6.953 12.940 1.00 0.00 H new ATOM 0 HB3 ARG A 51 61.943 -5.513 13.299 1.00 0.00 H new ATOM 0 HG2 ARG A 51 60.356 -4.109 12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 51 60.083 -5.146 11.014 1.00 0.00 H new ATOM 0 HD2 ARG A 51 58.052 -5.077 12.444 1.00 0.00 H new ATOM 0 HD3 ARG A 51 58.718 -6.698 12.420 1.00 0.00 H new ATOM 0 HE ARG A 51 59.759 -5.027 14.656 1.00 0.00 H new ATOM 0 HH11 ARG A 51 59.322 -8.075 14.586 1.00 0.00 H new ATOM 0 HH12 ARG A 51 57.946 -8.242 15.682 1.00 0.00 H new ATOM 0 HH21 ARG A 51 57.116 -4.847 15.551 1.00 0.00 H new ATOM 0 HH22 ARG A 51 56.707 -6.429 16.224 1.00 0.00 H new ATOM 809 N TYR A 52 61.066 -7.515 9.598 1.00 0.00 N ATOM 810 CA TYR A 52 60.629 -8.750 8.891 1.00 0.00 C ATOM 811 C TYR A 52 61.861 -9.450 8.319 1.00 0.00 C ATOM 812 O TYR A 52 62.174 -10.568 8.678 1.00 0.00 O ATOM 813 CB TYR A 52 59.675 -8.383 7.752 1.00 0.00 C ATOM 814 CG TYR A 52 59.440 -9.597 6.885 1.00 0.00 C ATOM 815 CD1 TYR A 52 58.489 -10.552 7.260 1.00 0.00 C ATOM 816 CD2 TYR A 52 60.175 -9.767 5.705 1.00 0.00 C ATOM 817 CE1 TYR A 52 58.273 -11.678 6.457 1.00 0.00 C ATOM 818 CE2 TYR A 52 59.959 -10.893 4.902 1.00 0.00 C ATOM 819 CZ TYR A 52 59.008 -11.848 5.277 1.00 0.00 C ATOM 820 OH TYR A 52 58.794 -12.957 4.485 1.00 0.00 O ATOM 0 H TYR A 52 60.711 -6.642 9.209 1.00 0.00 H new ATOM 0 HA TYR A 52 60.114 -9.411 9.587 1.00 0.00 H new ATOM 0 HB2 TYR A 52 58.729 -8.023 8.157 1.00 0.00 H new ATOM 0 HB3 TYR A 52 60.096 -7.573 7.157 1.00 0.00 H new ATOM 0 HD1 TYR A 52 57.921 -10.420 8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 52 60.908 -9.029 5.415 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.540 -12.416 6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.527 -11.025 3.993 1.00 0.00 H new ATOM 0 HH TYR A 52 59.385 -12.920 3.704 1.00 0.00 H new ATOM 830 N LEU A 53 62.570 -8.797 7.436 1.00 0.00 N ATOM 831 CA LEU A 53 63.789 -9.429 6.853 1.00 0.00 C ATOM 832 C LEU A 53 64.707 -9.893 7.986 1.00 0.00 C ATOM 833 O LEU A 53 65.028 -11.060 8.101 1.00 0.00 O ATOM 834 CB LEU A 53 64.533 -8.410 5.988 1.00 0.00 C ATOM 835 CG LEU A 53 63.530 -7.612 5.156 1.00 0.00 C ATOM 836 CD1 LEU A 53 63.464 -6.176 5.678 1.00 0.00 C ATOM 837 CD2 LEU A 53 63.982 -7.598 3.695 1.00 0.00 C ATOM 0 H LEU A 53 62.359 -7.859 7.095 1.00 0.00 H new ATOM 0 HA LEU A 53 63.497 -10.282 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 53 65.113 -7.737 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 53 65.239 -8.921 5.333 1.00 0.00 H new ATOM 0 HG LEU A 53 62.545 -8.073 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 53 62.749 -5.606 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 53 63.148 -6.182 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 53 64.449 -5.715 5.600 1.00 0.00 H new ATOM 0 HD21 LEU A 53 63.268 -7.029 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 53 64.966 -7.134 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 64.034 -8.620 3.321 1.00 0.00 H new ATOM 849 N GLY A 54 65.134 -8.986 8.822 1.00 0.00 N ATOM 850 CA GLY A 54 66.033 -9.367 9.949 1.00 0.00 C ATOM 851 C GLY A 54 66.985 -8.207 10.254 1.00 0.00 C ATOM 852 O GLY A 54 66.743 -7.088 9.849 1.00 0.00 O ATOM 0 H GLY A 54 64.898 -7.995 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 54 65.443 -9.610 10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.602 -10.260 9.689 1.00 0.00 H new ATOM 856 N PRO A 55 68.044 -8.511 10.958 1.00 0.00 N ATOM 857 CA PRO A 55 69.058 -7.513 11.335 1.00 0.00 C ATOM 858 C PRO A 55 69.970 -7.211 10.142 1.00 0.00 C ATOM 859 O PRO A 55 70.847 -6.373 10.214 1.00 0.00 O ATOM 860 CB PRO A 55 69.837 -8.199 12.460 1.00 0.00 C ATOM 861 CG PRO A 55 69.611 -9.719 12.283 1.00 0.00 C ATOM 862 CD PRO A 55 68.330 -9.877 11.442 1.00 0.00 C ATOM 0 HA PRO A 55 68.631 -6.559 11.643 1.00 0.00 H new ATOM 0 HB2 PRO A 55 70.898 -7.955 12.403 1.00 0.00 H new ATOM 0 HB3 PRO A 55 69.485 -7.865 13.436 1.00 0.00 H new ATOM 0 HG2 PRO A 55 70.462 -10.182 11.784 1.00 0.00 H new ATOM 0 HG3 PRO A 55 69.503 -10.210 13.250 1.00 0.00 H new ATOM 0 HD2 PRO A 55 68.480 -10.570 10.614 1.00 0.00 H new ATOM 0 HD3 PRO A 55 67.507 -10.268 12.040 1.00 0.00 H new ATOM 870 N ALA A 56 69.768 -7.889 9.044 1.00 0.00 N ATOM 871 CA ALA A 56 70.621 -7.644 7.847 1.00 0.00 C ATOM 872 C ALA A 56 70.119 -6.406 7.104 1.00 0.00 C ATOM 873 O ALA A 56 70.874 -5.713 6.452 1.00 0.00 O ATOM 874 CB ALA A 56 70.556 -8.859 6.919 1.00 0.00 C ATOM 0 H ALA A 56 69.049 -8.602 8.925 1.00 0.00 H new ATOM 0 HA ALA A 56 71.652 -7.482 8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 56 71.180 -8.681 6.043 1.00 0.00 H new ATOM 0 HB2 ALA A 56 70.917 -9.741 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.525 -9.021 6.604 1.00 0.00 H new ATOM 880 N CYS A 57 68.850 -6.120 7.196 1.00 0.00 N ATOM 881 CA CYS A 57 68.302 -4.926 6.495 1.00 0.00 C ATOM 882 C CYS A 57 67.794 -3.920 7.529 1.00 0.00 C ATOM 883 O CYS A 57 67.196 -4.286 8.522 1.00 0.00 O ATOM 884 CB CYS A 57 67.148 -5.355 5.588 1.00 0.00 C ATOM 885 SG CYS A 57 67.803 -5.893 3.988 1.00 0.00 S ATOM 0 H CYS A 57 68.168 -6.662 7.727 1.00 0.00 H new ATOM 0 HA CYS A 57 69.084 -4.464 5.893 1.00 0.00 H new ATOM 0 HB2 CYS A 57 66.587 -6.165 6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 57 66.454 -4.526 5.448 1.00 0.00 H new ATOM 0 HG CYS A 57 66.848 -5.894 3.106 1.00 0.00 H new ATOM 891 N ASP A 58 68.029 -2.654 7.312 1.00 0.00 N ATOM 892 CA ASP A 58 67.560 -1.635 8.292 1.00 0.00 C ATOM 893 C ASP A 58 66.860 -0.490 7.558 1.00 0.00 C ATOM 894 O ASP A 58 67.138 -0.213 6.408 1.00 0.00 O ATOM 895 CB ASP A 58 68.757 -1.086 9.072 1.00 0.00 C ATOM 896 CG ASP A 58 69.585 -0.172 8.165 1.00 0.00 C ATOM 897 OD1 ASP A 58 69.142 0.936 7.912 1.00 0.00 O ATOM 898 OD2 ASP A 58 70.648 -0.595 7.742 1.00 0.00 O ATOM 0 H ASP A 58 68.524 -2.283 6.501 1.00 0.00 H new ATOM 0 HA ASP A 58 66.857 -2.100 8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.412 -0.533 9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 69.373 -1.907 9.438 1.00 0.00 H new ATOM 903 N LEU A 59 65.956 0.179 8.219 1.00 0.00 N ATOM 904 CA LEU A 59 65.236 1.310 7.572 1.00 0.00 C ATOM 905 C LEU A 59 64.931 2.378 8.621 1.00 0.00 C ATOM 906 O LEU A 59 64.167 3.292 8.388 1.00 0.00 O ATOM 907 CB LEU A 59 63.926 0.803 6.972 1.00 0.00 C ATOM 908 CG LEU A 59 64.223 -0.014 5.717 1.00 0.00 C ATOM 909 CD1 LEU A 59 64.532 -1.460 6.107 1.00 0.00 C ATOM 910 CD2 LEU A 59 63.003 0.017 4.795 1.00 0.00 C ATOM 0 H LEU A 59 65.684 -0.011 9.184 1.00 0.00 H new ATOM 0 HA LEU A 59 65.857 1.735 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.393 0.191 7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 59 63.277 1.643 6.726 1.00 0.00 H new ATOM 0 HG LEU A 59 65.084 0.411 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 59 64.744 -2.042 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 59 65.400 -1.482 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 59 63.673 -1.889 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.211 -0.565 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.144 -0.409 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 59 62.784 1.048 4.516 1.00 0.00 H new ATOM 922 N THR A 60 65.523 2.270 9.777 1.00 0.00 N ATOM 923 CA THR A 60 65.268 3.276 10.839 1.00 0.00 C ATOM 924 C THR A 60 65.461 4.676 10.258 1.00 0.00 C ATOM 925 O THR A 60 64.815 5.623 10.661 1.00 0.00 O ATOM 926 CB THR A 60 66.252 3.056 11.986 1.00 0.00 C ATOM 927 OG1 THR A 60 66.064 1.754 12.523 1.00 0.00 O ATOM 928 CG2 THR A 60 66.006 4.098 13.073 1.00 0.00 C ATOM 0 H THR A 60 66.173 1.526 10.031 1.00 0.00 H new ATOM 0 HA THR A 60 64.249 3.174 11.211 1.00 0.00 H new ATOM 0 HB THR A 60 67.273 3.153 11.617 1.00 0.00 H new ATOM 0 HG1 THR A 60 66.695 1.609 13.258 1.00 0.00 H new ATOM 0 HG21 THR A 60 66.708 3.942 13.892 1.00 0.00 H new ATOM 0 HG22 THR A 60 66.148 5.096 12.659 1.00 0.00 H new ATOM 0 HG23 THR A 60 64.986 4.001 13.446 1.00 0.00 H new ATOM 936 N LEU A 61 66.345 4.810 9.310 1.00 0.00 N ATOM 937 CA LEU A 61 66.586 6.142 8.692 1.00 0.00 C ATOM 938 C LEU A 61 66.077 6.123 7.252 1.00 0.00 C ATOM 939 O LEU A 61 66.011 7.141 6.591 1.00 0.00 O ATOM 940 CB LEU A 61 68.088 6.436 8.702 1.00 0.00 C ATOM 941 CG LEU A 61 68.528 6.870 10.108 1.00 0.00 C ATOM 942 CD1 LEU A 61 68.230 8.358 10.294 1.00 0.00 C ATOM 943 CD2 LEU A 61 67.773 6.061 11.174 1.00 0.00 C ATOM 0 H LEU A 61 66.913 4.050 8.935 1.00 0.00 H new ATOM 0 HA LEU A 61 66.061 6.914 9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 61 68.643 5.549 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 61 68.318 7.221 7.981 1.00 0.00 H new ATOM 0 HG LEU A 61 69.597 6.690 10.218 1.00 0.00 H new ATOM 0 HD11 LEU A 61 68.541 8.670 11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 61 68.776 8.934 9.547 1.00 0.00 H new ATOM 0 HD13 LEU A 61 67.160 8.532 10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 61 68.094 6.378 12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 61 66.701 6.230 11.068 1.00 0.00 H new ATOM 0 HD23 LEU A 61 67.987 5.000 11.045 1.00 0.00 H new ATOM 955 N PHE A 62 65.714 4.971 6.763 1.00 0.00 N ATOM 956 CA PHE A 62 65.206 4.881 5.371 1.00 0.00 C ATOM 957 C PHE A 62 64.018 5.829 5.208 1.00 0.00 C ATOM 958 O PHE A 62 63.093 5.821 5.995 1.00 0.00 O ATOM 959 CB PHE A 62 64.763 3.444 5.088 1.00 0.00 C ATOM 960 CG PHE A 62 64.036 3.388 3.767 1.00 0.00 C ATOM 961 CD1 PHE A 62 64.757 3.252 2.575 1.00 0.00 C ATOM 962 CD2 PHE A 62 62.639 3.469 3.734 1.00 0.00 C ATOM 963 CE1 PHE A 62 64.081 3.198 1.350 1.00 0.00 C ATOM 964 CE2 PHE A 62 61.964 3.415 2.509 1.00 0.00 C ATOM 965 CZ PHE A 62 62.685 3.280 1.317 1.00 0.00 C ATOM 0 H PHE A 62 65.748 4.087 7.270 1.00 0.00 H new ATOM 0 HA PHE A 62 65.992 5.161 4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 62 65.630 2.784 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 62 64.113 3.089 5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 62 65.835 3.189 2.600 1.00 0.00 H new ATOM 0 HD2 PHE A 62 62.082 3.573 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 62 64.638 3.093 0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 62 60.886 3.478 2.484 1.00 0.00 H new ATOM 0 HZ PHE A 62 62.164 3.239 0.372 1.00 0.00 H new ATOM 975 N ASP A 63 64.036 6.648 4.194 1.00 0.00 N ATOM 976 CA ASP A 63 62.907 7.595 3.986 1.00 0.00 C ATOM 977 C ASP A 63 61.738 6.848 3.347 1.00 0.00 C ATOM 978 O ASP A 63 61.751 6.549 2.170 1.00 0.00 O ATOM 979 CB ASP A 63 63.355 8.727 3.060 1.00 0.00 C ATOM 980 CG ASP A 63 62.490 9.964 3.309 1.00 0.00 C ATOM 981 OD1 ASP A 63 61.555 9.862 4.087 1.00 0.00 O ATOM 982 OD2 ASP A 63 62.778 10.992 2.719 1.00 0.00 O ATOM 0 H ASP A 63 64.783 6.702 3.501 1.00 0.00 H new ATOM 0 HA ASP A 63 62.597 8.013 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 63 64.404 8.962 3.238 1.00 0.00 H new ATOM 0 HB3 ASP A 63 63.270 8.415 2.019 1.00 0.00 H new ATOM 987 N PHE A 64 60.730 6.541 4.117 1.00 0.00 N ATOM 988 CA PHE A 64 59.561 5.809 3.556 1.00 0.00 C ATOM 989 C PHE A 64 58.829 6.707 2.558 1.00 0.00 C ATOM 990 O PHE A 64 57.683 7.061 2.747 1.00 0.00 O ATOM 991 CB PHE A 64 58.613 5.416 4.690 1.00 0.00 C ATOM 992 CG PHE A 64 58.061 4.037 4.423 1.00 0.00 C ATOM 993 CD1 PHE A 64 58.926 2.939 4.336 1.00 0.00 C ATOM 994 CD2 PHE A 64 56.684 3.858 4.258 1.00 0.00 C ATOM 995 CE1 PHE A 64 58.411 1.663 4.084 1.00 0.00 C ATOM 996 CE2 PHE A 64 56.170 2.583 4.005 1.00 0.00 C ATOM 997 CZ PHE A 64 57.033 1.485 3.919 1.00 0.00 C ATOM 0 H PHE A 64 60.666 6.766 5.110 1.00 0.00 H new ATOM 0 HA PHE A 64 59.904 4.909 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 64 59.142 5.430 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 64 57.800 6.138 4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 64 59.990 3.077 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 64 56.017 4.705 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 64 59.077 0.815 4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 64 55.107 2.445 3.876 1.00 0.00 H new ATOM 0 HZ PHE A 64 56.635 0.500 3.725 1.00 0.00 H new ATOM 1007 N LYS A 65 59.489 7.076 1.495 1.00 0.00 N ATOM 1008 CA LYS A 65 58.844 7.949 0.477 1.00 0.00 C ATOM 1009 C LYS A 65 59.835 8.215 -0.657 1.00 0.00 C ATOM 1010 O LYS A 65 59.491 8.160 -1.821 1.00 0.00 O ATOM 1011 CB LYS A 65 58.435 9.275 1.122 1.00 0.00 C ATOM 1012 CG LYS A 65 57.545 10.058 0.154 1.00 0.00 C ATOM 1013 CD LYS A 65 57.142 11.391 0.789 1.00 0.00 C ATOM 1014 CE LYS A 65 58.392 12.235 1.050 1.00 0.00 C ATOM 1015 NZ LYS A 65 57.990 13.560 1.600 1.00 0.00 N ATOM 0 H LYS A 65 60.451 6.809 1.288 1.00 0.00 H new ATOM 0 HA LYS A 65 57.957 7.455 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 65 57.902 9.089 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 65 59.321 9.859 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 65 58.076 10.235 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 65 56.656 9.476 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 65 56.460 11.928 0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 65 56.609 11.214 1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 65 59.050 11.722 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 65 58.954 12.368 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 58.839 14.134 1.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 57.378 14.049 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 57.472 13.423 2.491 1.00 0.00 H new ATOM 1029 N GLN A 66 61.065 8.498 -0.326 1.00 0.00 N ATOM 1030 CA GLN A 66 62.081 8.763 -1.384 1.00 0.00 C ATOM 1031 C GLN A 66 62.728 7.443 -1.806 1.00 0.00 C ATOM 1032 O GLN A 66 62.892 7.167 -2.978 1.00 0.00 O ATOM 1033 CB GLN A 66 63.157 9.702 -0.836 1.00 0.00 C ATOM 1034 CG GLN A 66 62.547 11.078 -0.568 1.00 0.00 C ATOM 1035 CD GLN A 66 63.591 12.160 -0.844 1.00 0.00 C ATOM 1036 OE1 GLN A 66 64.018 12.336 -1.968 1.00 0.00 O ATOM 1037 NE2 GLN A 66 64.023 12.898 0.140 1.00 0.00 N ATOM 0 H GLN A 66 61.411 8.557 0.632 1.00 0.00 H new ATOM 0 HA GLN A 66 61.598 9.227 -2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 66 63.577 9.294 0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 66 63.976 9.789 -1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 66 61.673 11.230 -1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 66 62.206 11.142 0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 66 63.665 12.751 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 66 64.719 13.623 -0.034 1.00 0.00 H new ATOM 1046 N GLY A 67 63.097 6.624 -0.858 1.00 0.00 N ATOM 1047 CA GLY A 67 63.733 5.321 -1.205 1.00 0.00 C ATOM 1048 C GLY A 67 65.211 5.343 -0.803 1.00 0.00 C ATOM 1049 O GLY A 67 66.043 4.723 -1.434 1.00 0.00 O ATOM 0 H GLY A 67 62.986 6.801 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 67 63.219 4.507 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 67 63.640 5.134 -2.275 1.00 0.00 H new ATOM 1053 N ILE A 68 65.544 6.051 0.243 1.00 0.00 N ATOM 1054 CA ILE A 68 66.969 6.108 0.682 1.00 0.00 C ATOM 1055 C ILE A 68 67.033 6.065 2.211 1.00 0.00 C ATOM 1056 O ILE A 68 66.037 6.233 2.886 1.00 0.00 O ATOM 1057 CB ILE A 68 67.606 7.403 0.179 1.00 0.00 C ATOM 1058 CG1 ILE A 68 66.719 8.589 0.561 1.00 0.00 C ATOM 1059 CG2 ILE A 68 67.747 7.342 -1.343 1.00 0.00 C ATOM 1060 CD1 ILE A 68 67.043 9.029 1.990 1.00 0.00 C ATOM 0 H ILE A 68 64.892 6.592 0.812 1.00 0.00 H new ATOM 0 HA ILE A 68 67.511 5.256 0.272 1.00 0.00 H new ATOM 0 HB ILE A 68 68.590 7.525 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 68 66.881 9.416 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 68 65.668 8.310 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 68 68.201 8.265 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 68 68.378 6.496 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 68 66.763 7.221 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 68 66.411 9.874 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 68 66.859 8.202 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 68 68.090 9.325 2.051 1.00 0.00 H new ATOM 1072 N LEU A 69 68.196 5.842 2.764 1.00 0.00 N ATOM 1073 CA LEU A 69 68.320 5.786 4.248 1.00 0.00 C ATOM 1074 C LEU A 69 69.674 6.361 4.669 1.00 0.00 C ATOM 1075 O LEU A 69 70.486 6.731 3.844 1.00 0.00 O ATOM 1076 CB LEU A 69 68.224 4.330 4.709 1.00 0.00 C ATOM 1077 CG LEU A 69 69.420 3.543 4.166 1.00 0.00 C ATOM 1078 CD1 LEU A 69 69.912 2.560 5.230 1.00 0.00 C ATOM 1079 CD2 LEU A 69 68.995 2.772 2.916 1.00 0.00 C ATOM 0 H LEU A 69 69.065 5.696 2.251 1.00 0.00 H new ATOM 0 HA LEU A 69 67.519 6.369 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 69 68.208 4.282 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 69 67.293 3.886 4.357 1.00 0.00 H new ATOM 0 HG LEU A 69 70.224 4.233 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 69 70.763 2.000 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.215 3.110 6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 69 69.109 1.868 5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 69 69.845 2.211 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 69 68.190 2.082 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 69 68.646 3.473 2.158 1.00 0.00 H new ATOM 1091 N CYS A 70 69.925 6.430 5.947 1.00 0.00 N ATOM 1092 CA CYS A 70 71.228 6.972 6.424 1.00 0.00 C ATOM 1093 C CYS A 70 71.560 6.363 7.787 1.00 0.00 C ATOM 1094 O CYS A 70 70.816 5.560 8.315 1.00 0.00 O ATOM 1095 CB CYS A 70 71.135 8.493 6.555 1.00 0.00 C ATOM 1096 SG CYS A 70 70.821 9.224 4.930 1.00 0.00 S ATOM 0 H CYS A 70 69.283 6.134 6.682 1.00 0.00 H new ATOM 0 HA CYS A 70 72.011 6.719 5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 70 70.335 8.760 7.246 1.00 0.00 H new ATOM 0 HB3 CYS A 70 72.061 8.890 6.971 1.00 0.00 H new ATOM 0 HG CYS A 70 70.768 8.284 4.034 1.00 0.00 H new