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 Single : A 8 CYS SG : rot 175:sc= -12.7! USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0824 (180deg=-0.82) USER MOD Single : A 33 THR OG1 : rot -128:sc= -1.58! USER MOD Single : A 34 TYR OH : rot 180:sc= -2.03! USER MOD Single : A 35 TYR OH : rot -125:sc= -4.07! USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=0.51) USER MOD Single : A 37 SER OG : rot -60:sc= 1.5 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 149:sc= 0.00836 USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.673! (180deg=-5.64!) USER MOD Single : A 50 THR OG1 : rot 55:sc= -7.66! USER MOD Single : A 52 TYR OH : rot 40:sc= -1.03 USER MOD Single : A 57 CYS SG : rot -50:sc= -1.48 USER MOD Single : A 60 THR OG1 : rot 88:sc= 0.28 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.043) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 67.688 7.114 5.889 1.00 0.00 N ATOM 56 CA TRP A 5 67.826 5.674 5.539 1.00 0.00 C ATOM 57 C TRP A 5 67.622 4.824 6.796 1.00 0.00 C ATOM 58 O TRP A 5 68.535 4.613 7.569 1.00 0.00 O ATOM 59 CB TRP A 5 69.224 5.420 4.973 1.00 0.00 C ATOM 60 CG TRP A 5 69.419 6.234 3.734 1.00 0.00 C ATOM 61 CD1 TRP A 5 70.101 7.402 3.670 1.00 0.00 C ATOM 62 CD2 TRP A 5 68.944 5.965 2.383 1.00 0.00 C ATOM 63 NE1 TRP A 5 70.074 7.865 2.367 1.00 0.00 N ATOM 64 CE2 TRP A 5 69.373 7.014 1.536 1.00 0.00 C ATOM 65 CE3 TRP A 5 68.189 4.922 1.817 1.00 0.00 C ATOM 66 CZ2 TRP A 5 69.064 7.027 0.174 1.00 0.00 C ATOM 67 CZ3 TRP A 5 67.876 4.932 0.447 1.00 0.00 C ATOM 68 CH2 TRP A 5 68.313 5.983 -0.372 1.00 0.00 C ATOM 0 HA TRP A 5 67.078 5.406 4.793 1.00 0.00 H new ATOM 0 HB2 TRP A 5 69.980 5.680 5.714 1.00 0.00 H new ATOM 0 HB3 TRP A 5 69.349 4.361 4.748 1.00 0.00 H new ATOM 0 HD1 TRP A 5 70.587 7.892 4.501 1.00 0.00 H new ATOM 0 HE1 TRP A 5 70.518 8.730 2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 5 67.848 4.108 2.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 69.403 7.838 -0.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 67.296 4.126 0.023 1.00 0.00 H new ATOM 0 HH2 TRP A 5 68.069 5.985 -1.424 1.00 0.00 H new ATOM 79 N LEU A 6 66.430 4.338 7.008 1.00 0.00 N ATOM 80 CA LEU A 6 66.165 3.507 8.214 1.00 0.00 C ATOM 81 C LEU A 6 66.198 2.027 7.831 1.00 0.00 C ATOM 82 O LEU A 6 66.165 1.676 6.669 1.00 0.00 O ATOM 83 CB LEU A 6 64.781 3.854 8.767 1.00 0.00 C ATOM 84 CG LEU A 6 64.888 5.014 9.761 1.00 0.00 C ATOM 85 CD1 LEU A 6 65.379 4.486 11.111 1.00 0.00 C ATOM 86 CD2 LEU A 6 65.871 6.067 9.237 1.00 0.00 C ATOM 0 H LEU A 6 65.627 4.481 6.396 1.00 0.00 H new ATOM 0 HA LEU A 6 66.926 3.704 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.112 4.125 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.348 2.983 9.258 1.00 0.00 H new ATOM 0 HG LEU A 6 63.906 5.471 9.881 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.455 5.312 11.819 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.674 3.747 11.491 1.00 0.00 H new ATOM 0 HD13 LEU A 6 66.358 4.023 10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.940 6.888 9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.854 5.615 9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 6 65.519 6.449 8.279 1.00 0.00 H new ATOM 98 N ASP A 7 66.257 1.155 8.800 1.00 0.00 N ATOM 99 CA ASP A 7 66.285 -0.300 8.486 1.00 0.00 C ATOM 100 C ASP A 7 64.945 -0.705 7.871 1.00 0.00 C ATOM 101 O ASP A 7 63.909 -0.180 8.224 1.00 0.00 O ATOM 102 CB ASP A 7 66.520 -1.096 9.771 1.00 0.00 C ATOM 103 CG ASP A 7 67.485 -2.247 9.488 1.00 0.00 C ATOM 104 OD1 ASP A 7 67.047 -3.236 8.922 1.00 0.00 O ATOM 105 OD2 ASP A 7 68.646 -2.121 9.841 1.00 0.00 O ATOM 0 H ASP A 7 66.287 1.387 9.793 1.00 0.00 H new ATOM 0 HA ASP A 7 67.090 -0.509 7.782 1.00 0.00 H new ATOM 0 HB2 ASP A 7 66.929 -0.446 10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 7 65.574 -1.485 10.149 1.00 0.00 H new ATOM 110 N CYS A 8 64.957 -1.626 6.948 1.00 0.00 N ATOM 111 CA CYS A 8 63.682 -2.055 6.306 1.00 0.00 C ATOM 112 C CYS A 8 63.041 -3.179 7.128 1.00 0.00 C ATOM 113 O CYS A 8 63.574 -4.269 7.195 1.00 0.00 O ATOM 114 CB CYS A 8 63.982 -2.574 4.901 1.00 0.00 C ATOM 115 SG CYS A 8 64.108 -1.178 3.759 1.00 0.00 S ATOM 0 H CYS A 8 65.794 -2.100 6.610 1.00 0.00 H new ATOM 0 HA CYS A 8 62.998 -1.208 6.255 1.00 0.00 H new ATOM 0 HB2 CYS A 8 64.912 -3.142 4.902 1.00 0.00 H new ATOM 0 HB3 CYS A 8 63.194 -3.254 4.576 1.00 0.00 H new ATOM 0 HG CYS A 8 64.464 -1.608 2.585 1.00 0.00 H new ATOM 121 N PRO A 9 61.910 -2.891 7.724 1.00 0.00 N ATOM 122 CA PRO A 9 61.178 -3.875 8.535 1.00 0.00 C ATOM 123 C PRO A 9 60.394 -4.817 7.621 1.00 0.00 C ATOM 124 O PRO A 9 60.332 -6.010 7.844 1.00 0.00 O ATOM 125 CB PRO A 9 60.228 -3.018 9.375 1.00 0.00 C ATOM 126 CG PRO A 9 60.057 -1.683 8.610 1.00 0.00 C ATOM 127 CD PRO A 9 61.257 -1.567 7.650 1.00 0.00 C ATOM 0 HA PRO A 9 61.827 -4.501 9.148 1.00 0.00 H new ATOM 0 HB2 PRO A 9 59.268 -3.517 9.506 1.00 0.00 H new ATOM 0 HB3 PRO A 9 60.637 -2.846 10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 9 59.117 -1.671 8.058 1.00 0.00 H new ATOM 0 HG3 PRO A 9 60.032 -0.841 9.302 1.00 0.00 H new ATOM 0 HD2 PRO A 9 60.934 -1.339 6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 9 61.936 -0.771 7.955 1.00 0.00 H new ATOM 135 N ALA A 10 59.794 -4.285 6.591 1.00 0.00 N ATOM 136 CA ALA A 10 59.011 -5.138 5.657 1.00 0.00 C ATOM 137 C ALA A 10 59.931 -6.177 5.009 1.00 0.00 C ATOM 138 O ALA A 10 59.660 -7.361 5.041 1.00 0.00 O ATOM 139 CB ALA A 10 58.385 -4.263 4.572 1.00 0.00 C ATOM 0 H ALA A 10 59.814 -3.292 6.357 1.00 0.00 H new ATOM 0 HA ALA A 10 58.225 -5.651 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 10 57.811 -4.887 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 10 57.725 -3.528 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 10 59.172 -3.748 4.021 1.00 0.00 H new ATOM 145 N LEU A 11 61.013 -5.747 4.417 1.00 0.00 N ATOM 146 CA LEU A 11 61.937 -6.719 3.767 1.00 0.00 C ATOM 147 C LEU A 11 62.865 -7.329 4.818 1.00 0.00 C ATOM 148 O LEU A 11 63.043 -8.530 4.880 1.00 0.00 O ATOM 149 CB LEU A 11 62.774 -6.004 2.698 1.00 0.00 C ATOM 150 CG LEU A 11 61.858 -5.249 1.723 1.00 0.00 C ATOM 151 CD1 LEU A 11 62.592 -5.037 0.398 1.00 0.00 C ATOM 152 CD2 LEU A 11 60.583 -6.058 1.463 1.00 0.00 C ATOM 0 H LEU A 11 61.296 -4.769 4.356 1.00 0.00 H new ATOM 0 HA LEU A 11 61.352 -7.510 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 11 63.465 -5.307 3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 11 63.378 -6.730 2.153 1.00 0.00 H new ATOM 0 HG LEU A 11 61.591 -4.287 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 11 61.944 -4.501 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.497 -4.455 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 11 62.859 -6.004 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 11 59.941 -5.513 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 11 60.846 -7.023 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 11 60.053 -6.214 2.403 1.00 0.00 H new ATOM 164 N GLY A 12 63.458 -6.515 5.648 1.00 0.00 N ATOM 165 CA GLY A 12 64.372 -7.056 6.692 1.00 0.00 C ATOM 166 C GLY A 12 65.700 -6.292 6.664 1.00 0.00 C ATOM 167 O GLY A 12 65.732 -5.119 6.350 1.00 0.00 O ATOM 0 H GLY A 12 63.349 -5.501 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 12 63.910 -6.966 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 12 64.549 -8.118 6.519 1.00 0.00 H new ATOM 171 N PRO A 13 66.760 -6.986 6.997 1.00 0.00 N ATOM 172 CA PRO A 13 68.115 -6.404 7.025 1.00 0.00 C ATOM 173 C PRO A 13 68.673 -6.261 5.605 1.00 0.00 C ATOM 174 O PRO A 13 68.274 -6.960 4.695 1.00 0.00 O ATOM 175 CB PRO A 13 68.925 -7.421 7.836 1.00 0.00 C ATOM 176 CG PRO A 13 68.160 -8.763 7.742 1.00 0.00 C ATOM 177 CD PRO A 13 66.705 -8.414 7.376 1.00 0.00 C ATOM 0 HA PRO A 13 68.142 -5.404 7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 13 69.934 -7.521 7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 13 69.023 -7.101 8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 13 68.605 -9.411 6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 13 68.203 -9.301 8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 13 66.342 -9.031 6.554 1.00 0.00 H new ATOM 0 HD3 PRO A 13 66.032 -8.577 8.218 1.00 0.00 H new ATOM 185 N GLY A 14 69.596 -5.356 5.411 1.00 0.00 N ATOM 186 CA GLY A 14 70.184 -5.163 4.055 1.00 0.00 C ATOM 187 C GLY A 14 69.368 -4.124 3.281 1.00 0.00 C ATOM 188 O GLY A 14 69.910 -3.231 2.660 1.00 0.00 O ATOM 0 H GLY A 14 69.968 -4.742 6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 14 71.220 -4.835 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 14 70.193 -6.109 3.514 1.00 0.00 H new ATOM 192 N TRP A 15 68.069 -4.240 3.305 1.00 0.00 N ATOM 193 CA TRP A 15 67.216 -3.266 2.565 1.00 0.00 C ATOM 194 C TRP A 15 67.061 -1.977 3.380 1.00 0.00 C ATOM 195 O TRP A 15 66.747 -2.007 4.554 1.00 0.00 O ATOM 196 CB TRP A 15 65.837 -3.886 2.326 1.00 0.00 C ATOM 197 CG TRP A 15 65.255 -3.341 1.064 1.00 0.00 C ATOM 198 CD1 TRP A 15 64.060 -2.714 0.965 1.00 0.00 C ATOM 199 CD2 TRP A 15 65.818 -3.363 -0.278 1.00 0.00 C ATOM 200 NE1 TRP A 15 63.855 -2.350 -0.353 1.00 0.00 N ATOM 201 CE2 TRP A 15 64.912 -2.725 -1.157 1.00 0.00 C ATOM 202 CE3 TRP A 15 67.016 -3.868 -0.813 1.00 0.00 C ATOM 203 CZ2 TRP A 15 65.184 -2.593 -2.517 1.00 0.00 C ATOM 204 CZ3 TRP A 15 67.292 -3.738 -2.183 1.00 0.00 C ATOM 205 CH2 TRP A 15 66.379 -3.100 -3.033 1.00 0.00 C ATOM 0 H TRP A 15 67.560 -4.968 3.806 1.00 0.00 H new ATOM 0 HA TRP A 15 67.687 -3.028 1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 15 65.921 -4.971 2.261 1.00 0.00 H new ATOM 0 HB3 TRP A 15 65.178 -3.667 3.166 1.00 0.00 H new ATOM 0 HD1 TRP A 15 63.378 -2.528 1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 15 63.024 -1.864 -0.690 1.00 0.00 H new ATOM 0 HE3 TRP A 15 67.728 -4.359 -0.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 64.476 -2.102 -3.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 68.214 -4.132 -2.584 1.00 0.00 H new ATOM 0 HH2 TRP A 15 66.599 -3.000 -4.086 1.00 0.00 H new ATOM 216 N LYS A 16 67.275 -0.843 2.762 1.00 0.00 N ATOM 217 CA LYS A 16 67.134 0.448 3.497 1.00 0.00 C ATOM 218 C LYS A 16 65.838 1.140 3.064 1.00 0.00 C ATOM 219 O LYS A 16 65.592 1.338 1.890 1.00 0.00 O ATOM 220 CB LYS A 16 68.326 1.352 3.175 1.00 0.00 C ATOM 221 CG LYS A 16 69.629 0.594 3.437 1.00 0.00 C ATOM 222 CD LYS A 16 69.854 0.474 4.945 1.00 0.00 C ATOM 223 CE LYS A 16 70.974 -0.532 5.216 1.00 0.00 C ATOM 224 NZ LYS A 16 72.008 -0.425 4.148 1.00 0.00 N ATOM 0 H LYS A 16 67.541 -0.757 1.781 1.00 0.00 H new ATOM 0 HA LYS A 16 67.104 0.255 4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 16 68.282 1.672 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 16 68.288 2.253 3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 16 69.583 -0.397 2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 16 70.466 1.117 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 16 70.115 1.446 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 16 68.935 0.152 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 16 71.422 -0.340 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 16 70.569 -1.544 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 72.881 -0.896 4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 71.660 -0.882 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 72.206 0.578 3.955 1.00 0.00 H new ATOM 238 N ARG A 17 65.006 1.504 4.002 1.00 0.00 N ATOM 239 CA ARG A 17 63.723 2.177 3.646 1.00 0.00 C ATOM 240 C ARG A 17 63.871 3.693 3.824 1.00 0.00 C ATOM 241 O ARG A 17 63.927 4.195 4.929 1.00 0.00 O ATOM 242 CB ARG A 17 62.609 1.657 4.563 1.00 0.00 C ATOM 243 CG ARG A 17 61.368 1.325 3.730 1.00 0.00 C ATOM 244 CD ARG A 17 61.052 -0.169 3.848 1.00 0.00 C ATOM 245 NE ARG A 17 61.524 -0.872 2.623 1.00 0.00 N ATOM 246 CZ ARG A 17 60.962 -1.991 2.259 1.00 0.00 C ATOM 247 NH1 ARG A 17 60.397 -2.755 3.153 1.00 0.00 N ATOM 248 NH2 ARG A 17 60.967 -2.348 1.004 1.00 0.00 N ATOM 0 H ARG A 17 65.159 1.364 5.001 1.00 0.00 H new ATOM 0 HA ARG A 17 63.472 1.961 2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 17 62.949 0.769 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 17 62.364 2.407 5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 17 60.518 1.915 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.537 1.589 2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 17 61.538 -0.586 4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 17 59.979 -0.316 3.975 1.00 0.00 H new ATOM 0 HE ARG A 17 62.285 -0.479 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 17 60.395 -2.477 4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 17 59.957 -3.631 2.871 1.00 0.00 H new ATOM 0 HH21 ARG A 17 61.411 -1.751 0.306 1.00 0.00 H new ATOM 0 HH22 ARG A 17 60.527 -3.224 0.721 1.00 0.00 H new ATOM 262 N ARG A 18 63.938 4.425 2.742 1.00 0.00 N ATOM 263 CA ARG A 18 64.085 5.907 2.851 1.00 0.00 C ATOM 264 C ARG A 18 62.727 6.582 2.633 1.00 0.00 C ATOM 265 O ARG A 18 61.929 6.149 1.825 1.00 0.00 O ATOM 266 CB ARG A 18 65.069 6.404 1.789 1.00 0.00 C ATOM 267 CG ARG A 18 65.017 7.933 1.722 1.00 0.00 C ATOM 268 CD ARG A 18 66.078 8.439 0.743 1.00 0.00 C ATOM 269 NE ARG A 18 65.477 8.576 -0.614 1.00 0.00 N ATOM 270 CZ ARG A 18 66.235 8.857 -1.639 1.00 0.00 C ATOM 271 NH1 ARG A 18 66.499 10.100 -1.934 1.00 0.00 N ATOM 272 NH2 ARG A 18 66.727 7.894 -2.370 1.00 0.00 N ATOM 0 H ARG A 18 63.897 4.062 1.790 1.00 0.00 H new ATOM 0 HA ARG A 18 64.459 6.155 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 18 66.079 6.074 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 18 64.818 5.978 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 18 64.027 8.260 1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 18 65.189 8.357 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 18 66.469 9.400 1.078 1.00 0.00 H new ATOM 0 HD3 ARG A 18 66.919 7.746 0.712 1.00 0.00 H new ATOM 0 HE ARG A 18 64.473 8.450 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 18 66.113 10.853 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 18 67.091 10.319 -2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 18 66.519 6.922 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 18 67.319 8.113 -3.171 1.00 0.00 H new ATOM 286 N GLU A 19 62.465 7.648 3.342 1.00 0.00 N ATOM 287 CA GLU A 19 61.165 8.359 3.174 1.00 0.00 C ATOM 288 C GLU A 19 61.419 9.744 2.575 1.00 0.00 C ATOM 289 O GLU A 19 62.449 10.347 2.798 1.00 0.00 O ATOM 290 CB GLU A 19 60.488 8.512 4.536 1.00 0.00 C ATOM 291 CG GLU A 19 61.336 9.421 5.428 1.00 0.00 C ATOM 292 CD GLU A 19 61.069 9.088 6.897 1.00 0.00 C ATOM 293 OE1 GLU A 19 59.954 9.306 7.339 1.00 0.00 O ATOM 294 OE2 GLU A 19 61.984 8.619 7.555 1.00 0.00 O ATOM 0 H GLU A 19 63.096 8.057 4.031 1.00 0.00 H new ATOM 0 HA GLU A 19 60.519 7.785 2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.490 8.934 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 19 60.366 7.536 5.005 1.00 0.00 H new ATOM 0 HG2 GLU A 19 62.394 9.288 5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 19 61.097 10.466 5.232 1.00 0.00 H new ATOM 301 N VAL A 20 60.487 10.254 1.815 1.00 0.00 N ATOM 302 CA VAL A 20 60.679 11.599 1.204 1.00 0.00 C ATOM 303 C VAL A 20 59.378 12.400 1.309 1.00 0.00 C ATOM 304 O VAL A 20 58.295 11.849 1.298 1.00 0.00 O ATOM 305 CB VAL A 20 61.061 11.438 -0.268 1.00 0.00 C ATOM 306 CG1 VAL A 20 61.524 12.784 -0.826 1.00 0.00 C ATOM 307 CG2 VAL A 20 62.198 10.419 -0.389 1.00 0.00 C ATOM 0 H VAL A 20 59.603 9.797 1.592 1.00 0.00 H new ATOM 0 HA VAL A 20 61.473 12.128 1.731 1.00 0.00 H new ATOM 0 HB VAL A 20 60.196 11.090 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 20 61.796 12.669 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 20 60.717 13.511 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 20 62.390 13.133 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 20 62.472 10.302 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 20 63.062 10.769 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 20 61.870 9.459 0.009 1.00 0.00 H new ATOM 478 N ASP A 32 56.864 10.394 -0.479 1.00 0.00 N ATOM 479 CA ASP A 32 57.211 9.249 -1.366 1.00 0.00 C ATOM 480 C ASP A 32 58.125 8.286 -0.606 1.00 0.00 C ATOM 481 O ASP A 32 58.672 8.623 0.426 1.00 0.00 O ATOM 482 CB ASP A 32 57.934 9.770 -2.610 1.00 0.00 C ATOM 483 CG ASP A 32 57.265 11.061 -3.085 1.00 0.00 C ATOM 484 OD1 ASP A 32 56.157 10.981 -3.588 1.00 0.00 O ATOM 485 OD2 ASP A 32 57.872 12.109 -2.936 1.00 0.00 O ATOM 0 HA ASP A 32 56.303 8.728 -1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 32 58.984 9.954 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 32 57.905 9.021 -3.401 1.00 0.00 H new ATOM 490 N THR A 33 58.289 7.088 -1.097 1.00 0.00 N ATOM 491 CA THR A 33 59.160 6.110 -0.386 1.00 0.00 C ATOM 492 C THR A 33 60.042 5.364 -1.390 1.00 0.00 C ATOM 493 O THR A 33 59.559 4.710 -2.293 1.00 0.00 O ATOM 494 CB THR A 33 58.284 5.103 0.364 1.00 0.00 C ATOM 495 OG1 THR A 33 57.228 5.792 1.017 1.00 0.00 O ATOM 496 CG2 THR A 33 59.129 4.359 1.400 1.00 0.00 C ATOM 0 H THR A 33 57.859 6.745 -1.956 1.00 0.00 H new ATOM 0 HA THR A 33 59.796 6.646 0.319 1.00 0.00 H new ATOM 0 HB THR A 33 57.868 4.385 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 33 57.204 5.534 1.962 1.00 0.00 H new ATOM 0 HG21 THR A 33 58.504 3.643 1.933 1.00 0.00 H new ATOM 0 HG22 THR A 33 59.939 3.830 0.897 1.00 0.00 H new ATOM 0 HG23 THR A 33 59.547 5.073 2.109 1.00 0.00 H new ATOM 504 N TYR A 34 61.335 5.444 -1.227 1.00 0.00 N ATOM 505 CA TYR A 34 62.255 4.727 -2.157 1.00 0.00 C ATOM 506 C TYR A 34 63.152 3.798 -1.340 1.00 0.00 C ATOM 507 O TYR A 34 63.470 4.077 -0.201 1.00 0.00 O ATOM 508 CB TYR A 34 63.127 5.733 -2.915 1.00 0.00 C ATOM 509 CG TYR A 34 62.334 6.983 -3.213 1.00 0.00 C ATOM 510 CD1 TYR A 34 61.023 6.884 -3.695 1.00 0.00 C ATOM 511 CD2 TYR A 34 62.913 8.242 -3.012 1.00 0.00 C ATOM 512 CE1 TYR A 34 60.292 8.045 -3.975 1.00 0.00 C ATOM 513 CE2 TYR A 34 62.181 9.402 -3.291 1.00 0.00 C ATOM 514 CZ TYR A 34 60.870 9.303 -3.773 1.00 0.00 C ATOM 515 OH TYR A 34 60.149 10.447 -4.049 1.00 0.00 O ATOM 0 H TYR A 34 61.795 5.976 -0.488 1.00 0.00 H new ATOM 0 HA TYR A 34 61.670 4.153 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 34 64.007 5.983 -2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.485 5.289 -3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 34 60.576 5.913 -3.851 1.00 0.00 H new ATOM 0 HD2 TYR A 34 63.925 8.318 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 34 59.281 7.969 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 34 62.627 10.373 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 34 60.698 11.235 -3.852 1.00 0.00 H new ATOM 525 N TYR A 35 63.564 2.694 -1.900 1.00 0.00 N ATOM 526 CA TYR A 35 64.437 1.765 -1.132 1.00 0.00 C ATOM 527 C TYR A 35 65.821 1.707 -1.773 1.00 0.00 C ATOM 528 O TYR A 35 65.975 1.892 -2.964 1.00 0.00 O ATOM 529 CB TYR A 35 63.816 0.370 -1.125 1.00 0.00 C ATOM 530 CG TYR A 35 62.347 0.484 -0.802 1.00 0.00 C ATOM 531 CD1 TYR A 35 61.922 1.367 0.197 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.412 -0.285 -1.502 1.00 0.00 C ATOM 533 CE1 TYR A 35 60.562 1.480 0.498 1.00 0.00 C ATOM 534 CE2 TYR A 35 60.049 -0.173 -1.201 1.00 0.00 C ATOM 535 CZ TYR A 35 59.625 0.711 -0.200 1.00 0.00 C ATOM 536 OH TYR A 35 58.284 0.826 0.098 1.00 0.00 O ATOM 0 H TYR A 35 63.336 2.397 -2.849 1.00 0.00 H new ATOM 0 HA TYR A 35 64.532 2.125 -0.108 1.00 0.00 H new ATOM 0 HB2 TYR A 35 63.951 -0.107 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 35 64.315 -0.260 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 35 62.645 1.961 0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 35 61.741 -0.965 -2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 35 60.234 2.161 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 35 59.326 -0.767 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 35 57.920 -0.058 0.316 1.00 0.00 H new ATOM 546 N GLN A 36 66.832 1.455 -0.990 1.00 0.00 N ATOM 547 CA GLN A 36 68.208 1.388 -1.549 1.00 0.00 C ATOM 548 C GLN A 36 68.887 0.100 -1.086 1.00 0.00 C ATOM 549 O GLN A 36 68.978 -0.177 0.096 1.00 0.00 O ATOM 550 CB GLN A 36 69.014 2.594 -1.060 1.00 0.00 C ATOM 551 CG GLN A 36 70.461 2.476 -1.542 1.00 0.00 C ATOM 552 CD GLN A 36 71.389 3.179 -0.549 1.00 0.00 C ATOM 553 OE1 GLN A 36 70.980 4.093 0.140 1.00 0.00 O ATOM 554 NE2 GLN A 36 72.630 2.789 -0.447 1.00 0.00 N ATOM 0 H GLN A 36 66.763 1.292 0.015 1.00 0.00 H new ATOM 0 HA GLN A 36 68.158 1.399 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 36 68.570 3.516 -1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 36 68.986 2.645 0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 36 70.740 1.426 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 36 70.564 2.923 -2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 36 72.973 2.022 -1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 36 73.257 3.251 0.211 1.00 0.00 H new ATOM 563 N SER A 37 69.366 -0.690 -2.007 1.00 0.00 N ATOM 564 CA SER A 37 70.043 -1.957 -1.620 1.00 0.00 C ATOM 565 C SER A 37 71.397 -1.626 -0.983 1.00 0.00 C ATOM 566 O SER A 37 71.811 -0.484 -0.973 1.00 0.00 O ATOM 567 CB SER A 37 70.257 -2.819 -2.865 1.00 0.00 C ATOM 568 OG SER A 37 69.338 -2.419 -3.874 1.00 0.00 O ATOM 0 H SER A 37 69.317 -0.512 -3.010 1.00 0.00 H new ATOM 0 HA SER A 37 69.427 -2.503 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 37 71.280 -2.712 -3.225 1.00 0.00 H new ATOM 0 HB3 SER A 37 70.113 -3.872 -2.622 1.00 0.00 H new ATOM 0 HG SER A 37 68.422 -2.537 -3.547 1.00 0.00 H new ATOM 574 N PRO A 38 72.045 -2.638 -0.466 1.00 0.00 N ATOM 575 CA PRO A 38 73.359 -2.489 0.186 1.00 0.00 C ATOM 576 C PRO A 38 74.477 -2.371 -0.857 1.00 0.00 C ATOM 577 O PRO A 38 75.647 -2.397 -0.529 1.00 0.00 O ATOM 578 CB PRO A 38 73.500 -3.777 1.000 1.00 0.00 C ATOM 579 CG PRO A 38 72.559 -4.816 0.345 1.00 0.00 C ATOM 580 CD PRO A 38 71.529 -4.021 -0.481 1.00 0.00 C ATOM 0 HA PRO A 38 73.432 -1.590 0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 38 74.531 -4.129 0.993 1.00 0.00 H new ATOM 0 HB3 PRO A 38 73.227 -3.609 2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 38 73.121 -5.500 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 38 72.063 -5.421 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 38 71.451 -4.406 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 38 70.534 -4.080 -0.040 1.00 0.00 H new ATOM 588 N THR A 39 74.132 -2.238 -2.110 1.00 0.00 N ATOM 589 CA THR A 39 75.180 -2.117 -3.163 1.00 0.00 C ATOM 590 C THR A 39 75.088 -0.737 -3.820 1.00 0.00 C ATOM 591 O THR A 39 76.051 -0.233 -4.365 1.00 0.00 O ATOM 592 CB THR A 39 74.970 -3.201 -4.224 1.00 0.00 C ATOM 593 OG1 THR A 39 76.067 -3.196 -5.126 1.00 0.00 O ATOM 594 CG2 THR A 39 73.676 -2.924 -4.991 1.00 0.00 C ATOM 0 H THR A 39 73.170 -2.208 -2.449 1.00 0.00 H new ATOM 0 HA THR A 39 76.163 -2.240 -2.709 1.00 0.00 H new ATOM 0 HB THR A 39 74.901 -4.175 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 39 75.935 -3.890 -5.805 1.00 0.00 H new ATOM 0 HG21 THR A 39 73.528 -3.696 -5.746 1.00 0.00 H new ATOM 0 HG22 THR A 39 72.835 -2.928 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.742 -1.950 -5.476 1.00 0.00 H new ATOM 602 N GLY A 40 73.938 -0.123 -3.772 1.00 0.00 N ATOM 603 CA GLY A 40 73.784 1.225 -4.393 1.00 0.00 C ATOM 604 C GLY A 40 72.664 1.188 -5.433 1.00 0.00 C ATOM 605 O GLY A 40 72.548 2.066 -6.265 1.00 0.00 O ATOM 0 H GLY A 40 73.098 -0.496 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 40 73.557 1.966 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 40 74.720 1.529 -4.863 1.00 0.00 H new ATOM 609 N ASP A 41 71.839 0.178 -5.398 1.00 0.00 N ATOM 610 CA ASP A 41 70.729 0.088 -6.388 1.00 0.00 C ATOM 611 C ASP A 41 69.422 0.555 -5.741 1.00 0.00 C ATOM 612 O ASP A 41 68.882 -0.097 -4.869 1.00 0.00 O ATOM 613 CB ASP A 41 70.580 -1.362 -6.852 1.00 0.00 C ATOM 614 CG ASP A 41 70.893 -1.453 -8.346 1.00 0.00 C ATOM 615 OD1 ASP A 41 70.306 -0.697 -9.102 1.00 0.00 O ATOM 616 OD2 ASP A 41 71.716 -2.278 -8.710 1.00 0.00 O ATOM 0 H ASP A 41 71.886 -0.589 -4.727 1.00 0.00 H new ATOM 0 HA ASP A 41 70.954 0.724 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 41 71.254 -2.007 -6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 41 69.567 -1.715 -6.660 1.00 0.00 H new ATOM 621 N ARG A 42 68.906 1.676 -6.164 1.00 0.00 N ATOM 622 CA ARG A 42 67.633 2.181 -5.577 1.00 0.00 C ATOM 623 C ARG A 42 66.461 1.748 -6.460 1.00 0.00 C ATOM 624 O ARG A 42 66.593 1.615 -7.660 1.00 0.00 O ATOM 625 CB ARG A 42 67.679 3.708 -5.503 1.00 0.00 C ATOM 626 CG ARG A 42 68.074 4.273 -6.869 1.00 0.00 C ATOM 627 CD ARG A 42 69.573 4.581 -6.880 1.00 0.00 C ATOM 628 NE ARG A 42 69.776 6.055 -6.958 1.00 0.00 N ATOM 629 CZ ARG A 42 70.967 6.561 -6.782 1.00 0.00 C ATOM 630 NH1 ARG A 42 71.868 6.447 -7.718 1.00 0.00 N ATOM 631 NH2 ARG A 42 71.255 7.180 -5.670 1.00 0.00 N ATOM 0 H ARG A 42 69.311 2.265 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 42 67.504 1.772 -4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 42 66.706 4.098 -5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 42 68.396 4.025 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 42 67.833 3.556 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 42 67.504 5.178 -7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 42 70.043 4.185 -5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 42 70.050 4.092 -7.730 1.00 0.00 H new ATOM 0 HE ARG A 42 68.984 6.669 -7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 42 71.642 5.963 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 42 72.798 6.842 -7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 42 70.550 7.269 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 42 72.185 7.575 -5.532 1.00 0.00 H new ATOM 645 N ILE A 43 65.314 1.521 -5.878 1.00 0.00 N ATOM 646 CA ILE A 43 64.141 1.093 -6.692 1.00 0.00 C ATOM 647 C ILE A 43 62.873 1.782 -6.182 1.00 0.00 C ATOM 648 O ILE A 43 62.808 2.229 -5.054 1.00 0.00 O ATOM 649 CB ILE A 43 63.973 -0.420 -6.581 1.00 0.00 C ATOM 650 CG1 ILE A 43 65.281 -1.108 -6.979 1.00 0.00 C ATOM 651 CG2 ILE A 43 62.851 -0.869 -7.516 1.00 0.00 C ATOM 652 CD1 ILE A 43 66.100 -1.415 -5.724 1.00 0.00 C ATOM 0 H ILE A 43 65.139 1.613 -4.877 1.00 0.00 H new ATOM 0 HA ILE A 43 64.307 1.371 -7.733 1.00 0.00 H new ATOM 0 HB ILE A 43 63.723 -0.689 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 43 65.069 -2.029 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 43 65.852 -0.467 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 43 62.726 -1.949 -7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 43 61.921 -0.376 -7.232 1.00 0.00 H new ATOM 0 HG23 ILE A 43 63.104 -0.603 -8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 43 67.031 -1.905 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 43 66.324 -0.486 -5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 43 65.529 -2.073 -5.069 1.00 0.00 H new ATOM 664 N ARG A 44 61.863 1.875 -7.008 1.00 0.00 N ATOM 665 CA ARG A 44 60.604 2.541 -6.566 1.00 0.00 C ATOM 666 C ARG A 44 59.375 1.742 -7.027 1.00 0.00 C ATOM 667 O ARG A 44 58.262 2.032 -6.633 1.00 0.00 O ATOM 668 CB ARG A 44 60.543 3.949 -7.158 1.00 0.00 C ATOM 669 CG ARG A 44 60.923 4.968 -6.083 1.00 0.00 C ATOM 670 CD ARG A 44 61.511 6.216 -6.747 1.00 0.00 C ATOM 671 NE ARG A 44 62.946 6.350 -6.368 1.00 0.00 N ATOM 672 CZ ARG A 44 63.710 7.202 -6.995 1.00 0.00 C ATOM 673 NH1 ARG A 44 63.177 8.149 -7.717 1.00 0.00 N ATOM 674 NH2 ARG A 44 65.008 7.106 -6.901 1.00 0.00 N ATOM 0 H ARG A 44 61.856 1.520 -7.964 1.00 0.00 H new ATOM 0 HA ARG A 44 60.599 2.591 -5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 44 61.222 4.029 -8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 44 59.540 4.155 -7.532 1.00 0.00 H new ATOM 0 HG2 ARG A 44 60.046 5.236 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 44 61.648 4.533 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 44 61.415 6.144 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 44 60.957 7.102 -6.436 1.00 0.00 H new ATOM 0 HE ARG A 44 63.331 5.776 -5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 44 62.162 8.224 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 44 63.775 8.815 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 44 65.425 6.365 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 44 65.605 7.772 -7.391 1.00 0.00 H new ATOM 688 N SER A 45 59.554 0.742 -7.850 1.00 0.00 N ATOM 689 CA SER A 45 58.382 -0.054 -8.314 1.00 0.00 C ATOM 690 C SER A 45 57.740 -0.751 -7.119 1.00 0.00 C ATOM 691 O SER A 45 56.819 -0.243 -6.511 1.00 0.00 O ATOM 692 CB SER A 45 58.851 -1.100 -9.324 1.00 0.00 C ATOM 693 OG SER A 45 58.459 -0.700 -10.631 1.00 0.00 O ATOM 0 H SER A 45 60.457 0.444 -8.219 1.00 0.00 H new ATOM 0 HA SER A 45 57.653 0.605 -8.785 1.00 0.00 H new ATOM 0 HB2 SER A 45 59.934 -1.210 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 45 58.421 -2.072 -9.084 1.00 0.00 H new ATOM 0 HG SER A 45 59.114 -1.027 -11.283 1.00 0.00 H new ATOM 699 N LYS A 46 58.222 -1.911 -6.785 1.00 0.00 N ATOM 700 CA LYS A 46 57.654 -2.666 -5.635 1.00 0.00 C ATOM 701 C LYS A 46 58.087 -4.116 -5.766 1.00 0.00 C ATOM 702 O LYS A 46 58.831 -4.635 -4.957 1.00 0.00 O ATOM 703 CB LYS A 46 56.124 -2.584 -5.664 1.00 0.00 C ATOM 704 CG LYS A 46 55.523 -3.663 -4.759 1.00 0.00 C ATOM 705 CD LYS A 46 53.998 -3.530 -4.763 1.00 0.00 C ATOM 706 CE LYS A 46 53.375 -4.712 -4.018 1.00 0.00 C ATOM 707 NZ LYS A 46 53.676 -5.975 -4.749 1.00 0.00 N ATOM 0 H LYS A 46 58.994 -2.375 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 46 58.009 -2.244 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 46 55.798 -1.598 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 46 55.764 -2.713 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 46 55.815 -4.653 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 46 55.907 -3.559 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 46 53.704 -2.593 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 46 53.629 -3.498 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 46 53.769 -4.764 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 46 52.297 -4.576 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 52.863 -6.619 -4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 53.862 -5.761 -5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 54.513 -6.427 -4.330 1.00 0.00 H new ATOM 721 N VAL A 47 57.649 -4.766 -6.801 1.00 0.00 N ATOM 722 CA VAL A 47 58.060 -6.176 -7.008 1.00 0.00 C ATOM 723 C VAL A 47 59.365 -6.162 -7.796 1.00 0.00 C ATOM 724 O VAL A 47 60.127 -7.109 -7.782 1.00 0.00 O ATOM 725 CB VAL A 47 56.978 -6.932 -7.779 1.00 0.00 C ATOM 726 CG1 VAL A 47 57.480 -8.338 -8.112 1.00 0.00 C ATOM 727 CG2 VAL A 47 55.717 -7.034 -6.911 1.00 0.00 C ATOM 0 H VAL A 47 57.025 -4.383 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 47 58.200 -6.681 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 47 56.746 -6.400 -8.702 1.00 0.00 H new ATOM 0 HG11 VAL A 47 56.710 -8.879 -8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 47 58.380 -8.268 -8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 47 57.708 -8.871 -7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 47 54.942 -7.573 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 47 55.951 -7.569 -5.991 1.00 0.00 H new ATOM 0 HG23 VAL A 47 55.361 -6.033 -6.668 1.00 0.00 H new ATOM 737 N GLU A 48 59.644 -5.070 -8.462 1.00 0.00 N ATOM 738 CA GLU A 48 60.914 -4.968 -9.223 1.00 0.00 C ATOM 739 C GLU A 48 62.059 -4.961 -8.220 1.00 0.00 C ATOM 740 O GLU A 48 63.054 -5.637 -8.389 1.00 0.00 O ATOM 741 CB GLU A 48 60.933 -3.669 -10.026 1.00 0.00 C ATOM 742 CG GLU A 48 60.572 -3.967 -11.479 1.00 0.00 C ATOM 743 CD GLU A 48 61.333 -3.013 -12.401 1.00 0.00 C ATOM 744 OE1 GLU A 48 60.870 -1.898 -12.579 1.00 0.00 O ATOM 745 OE2 GLU A 48 62.365 -3.413 -12.912 1.00 0.00 O ATOM 0 H GLU A 48 59.043 -4.247 -8.508 1.00 0.00 H new ATOM 0 HA GLU A 48 61.011 -5.807 -9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.225 -2.956 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.920 -3.209 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 48 60.821 -5.000 -11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.498 -3.854 -11.628 1.00 0.00 H new ATOM 752 N LEU A 49 61.913 -4.217 -7.155 1.00 0.00 N ATOM 753 CA LEU A 49 62.983 -4.194 -6.128 1.00 0.00 C ATOM 754 C LEU A 49 62.984 -5.550 -5.430 1.00 0.00 C ATOM 755 O LEU A 49 63.977 -5.988 -4.883 1.00 0.00 O ATOM 756 CB LEU A 49 62.706 -3.081 -5.115 1.00 0.00 C ATOM 757 CG LEU A 49 61.533 -3.473 -4.219 1.00 0.00 C ATOM 758 CD1 LEU A 49 62.063 -3.946 -2.864 1.00 0.00 C ATOM 759 CD2 LEU A 49 60.624 -2.257 -4.016 1.00 0.00 C ATOM 0 H LEU A 49 61.103 -3.630 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 49 63.953 -4.003 -6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 49 63.594 -2.900 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.481 -2.151 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 49 60.967 -4.278 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 49 61.226 -4.226 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 49 62.714 -4.808 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 49 62.627 -3.141 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 49 59.785 -2.532 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 49 61.191 -1.454 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 49 60.248 -1.918 -4.982 1.00 0.00 H new ATOM 771 N THR A 50 61.867 -6.225 -5.471 1.00 0.00 N ATOM 772 CA THR A 50 61.774 -7.567 -4.840 1.00 0.00 C ATOM 773 C THR A 50 62.588 -8.554 -5.673 1.00 0.00 C ATOM 774 O THR A 50 63.581 -9.092 -5.225 1.00 0.00 O ATOM 775 CB THR A 50 60.313 -8.009 -4.813 1.00 0.00 C ATOM 776 OG1 THR A 50 59.528 -6.994 -4.208 1.00 0.00 O ATOM 777 CG2 THR A 50 60.182 -9.304 -4.012 1.00 0.00 C ATOM 0 H THR A 50 61.010 -5.899 -5.919 1.00 0.00 H new ATOM 0 HA THR A 50 62.160 -7.532 -3.821 1.00 0.00 H new ATOM 0 HB THR A 50 59.966 -8.181 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 50 59.674 -6.145 -4.675 1.00 0.00 H new ATOM 0 HG21 THR A 50 59.138 -9.617 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 50 60.786 -10.082 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 50 60.528 -9.137 -2.992 1.00 0.00 H new ATOM 785 N ARG A 51 62.181 -8.785 -6.892 1.00 0.00 N ATOM 786 CA ARG A 51 62.941 -9.726 -7.757 1.00 0.00 C ATOM 787 C ARG A 51 64.422 -9.346 -7.713 1.00 0.00 C ATOM 788 O ARG A 51 65.293 -10.182 -7.849 1.00 0.00 O ATOM 789 CB ARG A 51 62.425 -9.638 -9.198 1.00 0.00 C ATOM 790 CG ARG A 51 61.959 -8.210 -9.501 1.00 0.00 C ATOM 791 CD ARG A 51 62.613 -7.726 -10.797 1.00 0.00 C ATOM 792 NE ARG A 51 62.359 -8.718 -11.879 1.00 0.00 N ATOM 793 CZ ARG A 51 61.187 -9.280 -11.985 1.00 0.00 C ATOM 794 NH1 ARG A 51 60.136 -8.554 -12.257 1.00 0.00 N ATOM 795 NH2 ARG A 51 61.065 -10.569 -11.820 1.00 0.00 N ATOM 0 H ARG A 51 61.358 -8.364 -7.323 1.00 0.00 H new ATOM 0 HA ARG A 51 62.810 -10.747 -7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 51 63.213 -9.928 -9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 51 61.601 -10.337 -9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 51 60.874 -8.182 -9.596 1.00 0.00 H new ATOM 0 HG3 ARG A 51 62.224 -7.547 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 51 62.211 -6.753 -11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 63.685 -7.598 -10.650 1.00 0.00 H new ATOM 0 HE ARG A 51 63.101 -8.957 -12.536 1.00 0.00 H new ATOM 0 HH11 ARG A 51 60.232 -7.547 -12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 51 59.220 -8.994 -12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 51 61.886 -11.136 -11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 51 60.149 -11.009 -11.903 1.00 0.00 H new ATOM 809 N TYR A 52 64.712 -8.088 -7.511 1.00 0.00 N ATOM 810 CA TYR A 52 66.135 -7.653 -7.444 1.00 0.00 C ATOM 811 C TYR A 52 66.839 -8.430 -6.330 1.00 0.00 C ATOM 812 O TYR A 52 67.781 -9.160 -6.567 1.00 0.00 O ATOM 813 CB TYR A 52 66.198 -6.153 -7.142 1.00 0.00 C ATOM 814 CG TYR A 52 67.637 -5.732 -6.964 1.00 0.00 C ATOM 815 CD1 TYR A 52 68.474 -5.602 -8.080 1.00 0.00 C ATOM 816 CD2 TYR A 52 68.136 -5.469 -5.682 1.00 0.00 C ATOM 817 CE1 TYR A 52 69.808 -5.211 -7.913 1.00 0.00 C ATOM 818 CE2 TYR A 52 69.469 -5.078 -5.516 1.00 0.00 C ATOM 819 CZ TYR A 52 70.305 -4.949 -6.631 1.00 0.00 C ATOM 820 OH TYR A 52 71.619 -4.563 -6.466 1.00 0.00 O ATOM 0 H TYR A 52 64.024 -7.344 -7.390 1.00 0.00 H new ATOM 0 HA TYR A 52 66.627 -7.847 -8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 52 65.741 -5.589 -7.955 1.00 0.00 H new ATOM 0 HB3 TYR A 52 65.629 -5.929 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 52 68.090 -5.803 -9.069 1.00 0.00 H new ATOM 0 HD2 TYR A 52 67.491 -5.568 -4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 52 70.453 -5.112 -8.773 1.00 0.00 H new ATOM 0 HE2 TYR A 52 69.853 -4.876 -4.527 1.00 0.00 H new ATOM 0 HH TYR A 52 71.870 -3.942 -7.181 1.00 0.00 H new ATOM 830 N LEU A 53 66.383 -8.284 -5.115 1.00 0.00 N ATOM 831 CA LEU A 53 67.019 -9.021 -3.986 1.00 0.00 C ATOM 832 C LEU A 53 66.957 -10.524 -4.267 1.00 0.00 C ATOM 833 O LEU A 53 67.952 -11.219 -4.208 1.00 0.00 O ATOM 834 CB LEU A 53 66.270 -8.717 -2.686 1.00 0.00 C ATOM 835 CG LEU A 53 65.913 -7.231 -2.628 1.00 0.00 C ATOM 836 CD1 LEU A 53 64.392 -7.073 -2.588 1.00 0.00 C ATOM 837 CD2 LEU A 53 66.520 -6.610 -1.368 1.00 0.00 C ATOM 0 H LEU A 53 65.598 -7.686 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 53 68.058 -8.707 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 53 65.364 -9.320 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 53 66.887 -8.986 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 53 66.309 -6.728 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 53 64.137 -6.014 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 53 63.956 -7.516 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 53 63.997 -7.576 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 53 66.266 -5.551 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 53 66.123 -7.114 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 53 67.604 -6.723 -1.393 1.00 0.00 H new ATOM 849 N GLY A 54 65.792 -11.030 -4.572 1.00 0.00 N ATOM 850 CA GLY A 54 65.658 -12.487 -4.856 1.00 0.00 C ATOM 851 C GLY A 54 64.455 -13.046 -4.090 1.00 0.00 C ATOM 852 O GLY A 54 63.530 -12.322 -3.778 1.00 0.00 O ATOM 0 H GLY A 54 64.926 -10.495 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 54 65.529 -12.650 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.567 -13.011 -4.561 1.00 0.00 H new ATOM 856 N PRO A 55 64.507 -14.323 -3.806 1.00 0.00 N ATOM 857 CA PRO A 55 63.436 -15.017 -3.070 1.00 0.00 C ATOM 858 C PRO A 55 63.538 -14.709 -1.575 1.00 0.00 C ATOM 859 O PRO A 55 62.600 -14.897 -0.826 1.00 0.00 O ATOM 860 CB PRO A 55 63.714 -16.498 -3.343 1.00 0.00 C ATOM 861 CG PRO A 55 65.210 -16.596 -3.727 1.00 0.00 C ATOM 862 CD PRO A 55 65.638 -15.191 -4.193 1.00 0.00 C ATOM 0 HA PRO A 55 62.435 -14.714 -3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 55 63.498 -17.103 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 55 63.081 -16.870 -4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 55 65.808 -16.921 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 55 65.359 -17.329 -4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 55 66.564 -14.877 -3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 55 65.812 -15.163 -5.269 1.00 0.00 H new ATOM 870 N ALA A 56 64.672 -14.236 -1.136 1.00 0.00 N ATOM 871 CA ALA A 56 64.836 -13.914 0.308 1.00 0.00 C ATOM 872 C ALA A 56 63.927 -12.740 0.676 1.00 0.00 C ATOM 873 O ALA A 56 63.546 -12.572 1.818 1.00 0.00 O ATOM 874 CB ALA A 56 66.293 -13.535 0.583 1.00 0.00 C ATOM 0 H ALA A 56 65.492 -14.059 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 56 64.566 -14.784 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 56 66.414 -13.299 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 56 66.942 -14.371 0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 56 66.562 -12.665 -0.016 1.00 0.00 H new ATOM 880 N CYS A 57 63.576 -11.926 -0.281 1.00 0.00 N ATOM 881 CA CYS A 57 62.692 -10.765 0.017 1.00 0.00 C ATOM 882 C CYS A 57 61.378 -10.913 -0.751 1.00 0.00 C ATOM 883 O CYS A 57 61.310 -11.581 -1.763 1.00 0.00 O ATOM 884 CB CYS A 57 63.387 -9.471 -0.411 1.00 0.00 C ATOM 885 SG CYS A 57 64.355 -8.821 0.974 1.00 0.00 S ATOM 0 H CYS A 57 63.863 -12.015 -1.256 1.00 0.00 H new ATOM 0 HA CYS A 57 62.487 -10.732 1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 57 64.036 -9.660 -1.266 1.00 0.00 H new ATOM 0 HB3 CYS A 57 62.647 -8.736 -0.729 1.00 0.00 H new ATOM 0 HG CYS A 57 63.611 -8.775 2.039 1.00 0.00 H new ATOM 891 N ASP A 58 60.334 -10.292 -0.277 1.00 0.00 N ATOM 892 CA ASP A 58 59.026 -10.395 -0.979 1.00 0.00 C ATOM 893 C ASP A 58 58.234 -9.104 -0.764 1.00 0.00 C ATOM 894 O ASP A 58 58.345 -8.458 0.259 1.00 0.00 O ATOM 895 CB ASP A 58 58.242 -11.583 -0.420 1.00 0.00 C ATOM 896 CG ASP A 58 56.925 -11.731 -1.183 1.00 0.00 C ATOM 897 OD1 ASP A 58 56.737 -11.009 -2.148 1.00 0.00 O ATOM 898 OD2 ASP A 58 56.126 -12.566 -0.790 1.00 0.00 O ATOM 0 H ASP A 58 60.331 -9.718 0.566 1.00 0.00 H new ATOM 0 HA ASP A 58 59.191 -10.544 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 58 58.831 -12.496 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.045 -11.435 0.642 1.00 0.00 H new ATOM 903 N LEU A 59 57.439 -8.718 -1.724 1.00 0.00 N ATOM 904 CA LEU A 59 56.647 -7.465 -1.578 1.00 0.00 C ATOM 905 C LEU A 59 55.326 -7.606 -2.333 1.00 0.00 C ATOM 906 O LEU A 59 54.665 -6.631 -2.627 1.00 0.00 O ATOM 907 CB LEU A 59 57.438 -6.294 -2.163 1.00 0.00 C ATOM 908 CG LEU A 59 58.609 -5.956 -1.241 1.00 0.00 C ATOM 909 CD1 LEU A 59 59.823 -6.805 -1.623 1.00 0.00 C ATOM 910 CD2 LEU A 59 58.958 -4.475 -1.387 1.00 0.00 C ATOM 0 H LEU A 59 57.304 -9.217 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 59 56.447 -7.283 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 59 57.806 -6.551 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.790 -5.425 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 59 58.331 -6.166 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 59 60.658 -6.563 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.575 -7.861 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 59 60.103 -6.596 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 59 59.793 -4.232 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.236 -4.267 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.094 -3.869 -1.115 1.00 0.00 H new ATOM 922 N THR A 60 54.939 -8.812 -2.651 1.00 0.00 N ATOM 923 CA THR A 60 53.661 -9.013 -3.390 1.00 0.00 C ATOM 924 C THR A 60 52.587 -8.100 -2.799 1.00 0.00 C ATOM 925 O THR A 60 51.897 -7.395 -3.509 1.00 0.00 O ATOM 926 CB THR A 60 53.219 -10.472 -3.260 1.00 0.00 C ATOM 927 OG1 THR A 60 54.351 -11.322 -3.388 1.00 0.00 O ATOM 928 CG2 THR A 60 52.208 -10.797 -4.360 1.00 0.00 C ATOM 0 H THR A 60 55.452 -9.665 -2.431 1.00 0.00 H new ATOM 0 HA THR A 60 53.807 -8.772 -4.443 1.00 0.00 H new ATOM 0 HB THR A 60 52.757 -10.628 -2.285 1.00 0.00 H new ATOM 0 HG1 THR A 60 54.769 -11.444 -2.510 1.00 0.00 H new ATOM 0 HG21 THR A 60 51.892 -11.836 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 60 51.341 -10.144 -4.261 1.00 0.00 H new ATOM 0 HG23 THR A 60 52.669 -10.643 -5.335 1.00 0.00 H new ATOM 936 N LEU A 61 52.441 -8.109 -1.503 1.00 0.00 N ATOM 937 CA LEU A 61 51.413 -7.246 -0.860 1.00 0.00 C ATOM 938 C LEU A 61 52.103 -6.168 -0.026 1.00 0.00 C ATOM 939 O LEU A 61 51.508 -5.563 0.843 1.00 0.00 O ATOM 940 CB LEU A 61 50.533 -8.111 0.043 1.00 0.00 C ATOM 941 CG LEU A 61 49.513 -8.885 -0.804 1.00 0.00 C ATOM 942 CD1 LEU A 61 48.317 -7.982 -1.110 1.00 0.00 C ATOM 943 CD2 LEU A 61 50.151 -9.340 -2.125 1.00 0.00 C ATOM 0 H LEU A 61 52.991 -8.679 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 61 50.799 -6.769 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 61 51.152 -8.808 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.015 -7.484 0.768 1.00 0.00 H new ATOM 0 HG LEU A 61 49.186 -9.762 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 61 47.592 -8.530 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 61 47.850 -7.667 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 61 48.655 -7.104 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 61 49.416 -9.887 -2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 61 50.489 -8.468 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 61 51.002 -9.988 -1.914 1.00 0.00 H new ATOM 955 N PHE A 62 53.356 -5.923 -0.285 1.00 0.00 N ATOM 956 CA PHE A 62 54.087 -4.884 0.490 1.00 0.00 C ATOM 957 C PHE A 62 53.686 -3.497 -0.020 1.00 0.00 C ATOM 958 O PHE A 62 53.643 -3.251 -1.209 1.00 0.00 O ATOM 959 CB PHE A 62 55.597 -5.091 0.316 1.00 0.00 C ATOM 960 CG PHE A 62 56.337 -3.830 0.690 1.00 0.00 C ATOM 961 CD1 PHE A 62 56.565 -2.843 -0.276 1.00 0.00 C ATOM 962 CD2 PHE A 62 56.791 -3.646 2.001 1.00 0.00 C ATOM 963 CE1 PHE A 62 57.247 -1.671 0.069 1.00 0.00 C ATOM 964 CE2 PHE A 62 57.474 -2.473 2.346 1.00 0.00 C ATOM 965 CZ PHE A 62 57.702 -1.486 1.380 1.00 0.00 C ATOM 0 H PHE A 62 53.906 -6.398 -1.001 1.00 0.00 H new ATOM 0 HA PHE A 62 53.834 -4.963 1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 62 55.933 -5.919 0.940 1.00 0.00 H new ATOM 0 HB3 PHE A 62 55.819 -5.360 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 62 56.215 -2.986 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 62 56.615 -4.408 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 62 57.422 -0.909 -0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 62 57.825 -2.330 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 62 58.229 -0.582 1.646 1.00 0.00 H new ATOM 975 N ASP A 63 53.399 -2.589 0.872 1.00 0.00 N ATOM 976 CA ASP A 63 53.006 -1.218 0.443 1.00 0.00 C ATOM 977 C ASP A 63 54.266 -0.384 0.207 1.00 0.00 C ATOM 978 O ASP A 63 55.196 -0.416 0.989 1.00 0.00 O ATOM 979 CB ASP A 63 52.161 -0.564 1.538 1.00 0.00 C ATOM 980 CG ASP A 63 50.677 -0.757 1.226 1.00 0.00 C ATOM 981 OD1 ASP A 63 50.310 -1.855 0.842 1.00 0.00 O ATOM 982 OD2 ASP A 63 49.932 0.197 1.377 1.00 0.00 O ATOM 0 H ASP A 63 53.420 -2.738 1.881 1.00 0.00 H new ATOM 0 HA ASP A 63 52.426 -1.275 -0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 63 52.399 -1.004 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 63 52.394 0.499 1.605 1.00 0.00 H new ATOM 987 N PHE A 64 54.308 0.364 -0.861 1.00 0.00 N ATOM 988 CA PHE A 64 55.513 1.195 -1.134 1.00 0.00 C ATOM 989 C PHE A 64 55.370 2.540 -0.417 1.00 0.00 C ATOM 990 O PHE A 64 55.658 3.583 -0.969 1.00 0.00 O ATOM 991 CB PHE A 64 55.642 1.429 -2.640 1.00 0.00 C ATOM 992 CG PHE A 64 57.093 1.307 -3.047 1.00 0.00 C ATOM 993 CD1 PHE A 64 58.055 2.155 -2.487 1.00 0.00 C ATOM 994 CD2 PHE A 64 57.474 0.341 -3.986 1.00 0.00 C ATOM 995 CE1 PHE A 64 59.398 2.037 -2.868 1.00 0.00 C ATOM 996 CE2 PHE A 64 58.815 0.223 -4.367 1.00 0.00 C ATOM 997 CZ PHE A 64 59.778 1.071 -3.807 1.00 0.00 C ATOM 0 H PHE A 64 53.563 0.435 -1.554 1.00 0.00 H new ATOM 0 HA PHE A 64 56.403 0.680 -0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 64 55.038 0.703 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 64 55.263 2.417 -2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 64 57.762 2.900 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 64 56.731 -0.314 -4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 64 60.141 2.692 -2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 64 59.107 -0.522 -5.093 1.00 0.00 H new ATOM 0 HZ PHE A 64 60.814 0.980 -4.099 1.00 0.00 H new ATOM 1007 N LYS A 65 54.925 2.520 0.810 1.00 0.00 N ATOM 1008 CA LYS A 65 54.758 3.791 1.569 1.00 0.00 C ATOM 1009 C LYS A 65 54.590 3.467 3.055 1.00 0.00 C ATOM 1010 O LYS A 65 55.180 4.097 3.910 1.00 0.00 O ATOM 1011 CB LYS A 65 53.516 4.531 1.063 1.00 0.00 C ATOM 1012 CG LYS A 65 53.853 6.008 0.840 1.00 0.00 C ATOM 1013 CD LYS A 65 54.035 6.271 -0.656 1.00 0.00 C ATOM 1014 CE LYS A 65 52.720 5.995 -1.388 1.00 0.00 C ATOM 1015 NZ LYS A 65 52.553 6.978 -2.495 1.00 0.00 N ATOM 0 H LYS A 65 54.669 1.675 1.321 1.00 0.00 H new ATOM 0 HA LYS A 65 55.635 4.422 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 65 53.167 4.083 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 65 52.705 4.438 1.785 1.00 0.00 H new ATOM 0 HG2 LYS A 65 53.056 6.637 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 65 54.764 6.269 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 65 54.344 7.303 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 65 54.825 5.635 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 65 52.718 4.980 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 65 51.883 6.067 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 51.659 6.791 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 52.537 7.942 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 53.346 6.888 -3.162 1.00 0.00 H new ATOM 1029 N GLN A 66 53.791 2.483 3.367 1.00 0.00 N ATOM 1030 CA GLN A 66 53.586 2.110 4.794 1.00 0.00 C ATOM 1031 C GLN A 66 54.744 1.222 5.255 1.00 0.00 C ATOM 1032 O GLN A 66 55.191 1.303 6.382 1.00 0.00 O ATOM 1033 CB GLN A 66 52.267 1.347 4.937 1.00 0.00 C ATOM 1034 CG GLN A 66 51.096 2.305 4.703 1.00 0.00 C ATOM 1035 CD GLN A 66 49.808 1.691 5.257 1.00 0.00 C ATOM 1036 OE1 GLN A 66 48.795 1.668 4.586 1.00 0.00 O ATOM 1037 NE2 GLN A 66 49.804 1.188 6.462 1.00 0.00 N ATOM 0 H GLN A 66 53.271 1.921 2.693 1.00 0.00 H new ATOM 0 HA GLN A 66 53.551 3.011 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 66 52.229 0.527 4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 66 52.196 0.905 5.931 1.00 0.00 H new ATOM 0 HG2 GLN A 66 51.293 3.261 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 66 50.985 2.506 3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 66 50.654 1.207 7.025 1.00 0.00 H new ATOM 0 HE22 GLN A 66 48.951 0.776 6.840 1.00 0.00 H new ATOM 1046 N GLY A 67 55.236 0.377 4.390 1.00 0.00 N ATOM 1047 CA GLY A 67 56.367 -0.513 4.778 1.00 0.00 C ATOM 1048 C GLY A 67 55.820 -1.808 5.380 1.00 0.00 C ATOM 1049 O GLY A 67 56.397 -2.372 6.288 1.00 0.00 O ATOM 0 H GLY A 67 54.904 0.265 3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 67 56.982 -0.737 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 67 57.009 -0.008 5.500 1.00 0.00 H new ATOM 1053 N ILE A 68 54.710 -2.285 4.885 1.00 0.00 N ATOM 1054 CA ILE A 68 54.134 -3.541 5.439 1.00 0.00 C ATOM 1055 C ILE A 68 53.582 -4.404 4.301 1.00 0.00 C ATOM 1056 O ILE A 68 53.238 -3.911 3.245 1.00 0.00 O ATOM 1057 CB ILE A 68 53.004 -3.193 6.409 1.00 0.00 C ATOM 1058 CG1 ILE A 68 51.960 -2.335 5.690 1.00 0.00 C ATOM 1059 CG2 ILE A 68 53.571 -2.410 7.593 1.00 0.00 C ATOM 1060 CD1 ILE A 68 50.709 -3.170 5.417 1.00 0.00 C ATOM 0 H ILE A 68 54.180 -1.860 4.124 1.00 0.00 H new ATOM 0 HA ILE A 68 54.912 -4.095 5.964 1.00 0.00 H new ATOM 0 HB ILE A 68 52.539 -4.112 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 68 51.705 -1.468 6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 68 52.368 -1.957 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 68 52.766 -2.162 8.284 1.00 0.00 H new ATOM 0 HG22 ILE A 68 54.316 -3.017 8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 68 54.036 -1.492 7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 68 49.967 -2.557 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 68 50.970 -4.023 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 68 50.296 -3.526 6.361 1.00 0.00 H new ATOM 1072 N LEU A 69 53.487 -5.690 4.513 1.00 0.00 N ATOM 1073 CA LEU A 69 52.952 -6.590 3.454 1.00 0.00 C ATOM 1074 C LEU A 69 52.126 -7.696 4.110 1.00 0.00 C ATOM 1075 O LEU A 69 52.176 -7.890 5.309 1.00 0.00 O ATOM 1076 CB LEU A 69 54.110 -7.217 2.675 1.00 0.00 C ATOM 1077 CG LEU A 69 54.985 -8.036 3.625 1.00 0.00 C ATOM 1078 CD1 LEU A 69 55.690 -9.144 2.842 1.00 0.00 C ATOM 1079 CD2 LEU A 69 56.031 -7.121 4.263 1.00 0.00 C ATOM 0 H LEU A 69 53.759 -6.156 5.379 1.00 0.00 H new ATOM 0 HA LEU A 69 52.328 -6.016 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 69 53.723 -7.855 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 69 54.704 -6.438 2.198 1.00 0.00 H new ATOM 0 HG LEU A 69 54.363 -8.480 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 69 56.314 -9.728 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 69 54.946 -9.795 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 69 56.314 -8.701 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 69 56.657 -7.701 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 69 56.652 -6.680 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 69 55.530 -6.329 4.820 1.00 0.00 H new ATOM 1091 N CYS A 70 51.367 -8.424 3.341 1.00 0.00 N ATOM 1092 CA CYS A 70 50.544 -9.513 3.935 1.00 0.00 C ATOM 1093 C CYS A 70 50.253 -10.575 2.874 1.00 0.00 C ATOM 1094 O CYS A 70 50.791 -10.546 1.785 1.00 0.00 O ATOM 1095 CB CYS A 70 49.224 -8.933 4.448 1.00 0.00 C ATOM 1096 SG CYS A 70 48.733 -9.796 5.962 1.00 0.00 S ATOM 0 H CYS A 70 51.281 -8.313 2.331 1.00 0.00 H new ATOM 0 HA CYS A 70 51.090 -9.967 4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 70 49.335 -7.867 4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 70 48.449 -9.038 3.689 1.00 0.00 H new ATOM 0 HG CYS A 70 47.613 -9.302 6.399 1.00 0.00 H new