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 20:sc= -7.04! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 34 TYR OH : rot 180:sc= -1.25! USER MOD Single : A 35 TYR OH : rot -130:sc= -0.121 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot -45:sc= 0.894! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 140:sc= -0.0261 USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 1.19 (180deg=0.503) USER MOD Single : A 50 THR OG1 : rot -33:sc= -10.6! USER MOD Single : A 52 TYR OH : rot 13:sc= -1.45 USER MOD Single : A 57 CYS SG : rot -140:sc= -0.392 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= -0.0255 (180deg=-0.0882) USER MOD Single : A 66 GLN : amide:sc= -0.937 K(o=-0.94,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= -2.04! USER MOD ----------------------------------------------------------------- ATOM 55 N TRP A 5 60.509 11.713 2.164 1.00 0.00 N ATOM 56 CA TRP A 5 61.217 11.013 1.057 1.00 0.00 C ATOM 57 C TRP A 5 62.726 11.094 1.293 1.00 0.00 C ATOM 58 O TRP A 5 63.375 12.046 0.910 1.00 0.00 O ATOM 59 CB TRP A 5 60.865 11.681 -0.272 1.00 0.00 C ATOM 60 CG TRP A 5 59.379 11.716 -0.429 1.00 0.00 C ATOM 61 CD1 TRP A 5 58.574 12.709 0.012 1.00 0.00 C ATOM 62 CD2 TRP A 5 58.508 10.732 -1.058 1.00 0.00 C ATOM 63 NE1 TRP A 5 57.265 12.400 -0.310 1.00 0.00 N ATOM 64 CE2 TRP A 5 57.173 11.191 -0.971 1.00 0.00 C ATOM 65 CE3 TRP A 5 58.746 9.499 -1.692 1.00 0.00 C ATOM 66 CZ2 TRP A 5 56.110 10.452 -1.493 1.00 0.00 C ATOM 67 CZ3 TRP A 5 57.680 8.753 -2.218 1.00 0.00 C ATOM 68 CH2 TRP A 5 56.364 9.228 -2.118 1.00 0.00 C ATOM 0 HA TRP A 5 60.911 9.967 1.026 1.00 0.00 H new ATOM 0 HB2 TRP A 5 61.269 12.693 -0.302 1.00 0.00 H new ATOM 0 HB3 TRP A 5 61.317 11.133 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 5 58.900 13.598 0.531 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.465 12.993 -0.087 1.00 0.00 H new ATOM 0 HE3 TRP A 5 59.755 9.124 -1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 55.099 10.823 -1.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 57.874 7.808 -2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 5 55.548 8.648 -2.524 1.00 0.00 H new ATOM 79 N LEU A 6 63.286 10.102 1.930 1.00 0.00 N ATOM 80 CA LEU A 6 64.751 10.119 2.201 1.00 0.00 C ATOM 81 C LEU A 6 65.463 9.170 1.237 1.00 0.00 C ATOM 82 O LEU A 6 64.841 8.484 0.450 1.00 0.00 O ATOM 83 CB LEU A 6 65.010 9.665 3.641 1.00 0.00 C ATOM 84 CG LEU A 6 63.846 10.092 4.539 1.00 0.00 C ATOM 85 CD1 LEU A 6 63.937 9.360 5.878 1.00 0.00 C ATOM 86 CD2 LEU A 6 63.916 11.601 4.780 1.00 0.00 C ATOM 0 H LEU A 6 62.791 9.279 2.275 1.00 0.00 H new ATOM 0 HA LEU A 6 65.131 11.131 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.128 8.582 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.941 10.099 4.006 1.00 0.00 H new ATOM 0 HG LEU A 6 62.903 9.843 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.108 9.665 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.888 8.284 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.880 9.608 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 6 63.088 11.906 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 6 64.860 11.848 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 6 63.851 12.125 3.827 1.00 0.00 H new ATOM 98 N ASP A 7 66.765 9.123 1.298 1.00 0.00 N ATOM 99 CA ASP A 7 67.524 8.217 0.392 1.00 0.00 C ATOM 100 C ASP A 7 67.131 6.767 0.677 1.00 0.00 C ATOM 101 O ASP A 7 67.007 6.363 1.815 1.00 0.00 O ATOM 102 CB ASP A 7 69.025 8.389 0.641 1.00 0.00 C ATOM 103 CG ASP A 7 69.301 8.352 2.145 1.00 0.00 C ATOM 104 OD1 ASP A 7 68.613 9.049 2.872 1.00 0.00 O ATOM 105 OD2 ASP A 7 70.196 7.626 2.545 1.00 0.00 O ATOM 0 H ASP A 7 67.337 9.674 1.938 1.00 0.00 H new ATOM 0 HA ASP A 7 67.293 8.463 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 7 69.581 7.597 0.139 1.00 0.00 H new ATOM 0 HB3 ASP A 7 69.368 9.334 0.221 1.00 0.00 H new ATOM 110 N CYS A 8 66.937 5.980 -0.346 1.00 0.00 N ATOM 111 CA CYS A 8 66.558 4.556 -0.129 1.00 0.00 C ATOM 112 C CYS A 8 67.821 3.684 -0.174 1.00 0.00 C ATOM 113 O CYS A 8 68.410 3.513 -1.223 1.00 0.00 O ATOM 114 CB CYS A 8 65.599 4.117 -1.236 1.00 0.00 C ATOM 115 SG CYS A 8 65.378 2.323 -1.165 1.00 0.00 S ATOM 0 H CYS A 8 67.025 6.262 -1.322 1.00 0.00 H new ATOM 0 HA CYS A 8 66.073 4.447 0.841 1.00 0.00 H new ATOM 0 HB2 CYS A 8 64.638 4.618 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 8 65.993 4.407 -2.210 1.00 0.00 H new ATOM 0 HG CYS A 8 65.719 1.890 0.012 1.00 0.00 H new ATOM 121 N PRO A 9 68.204 3.159 0.964 1.00 0.00 N ATOM 122 CA PRO A 9 69.399 2.305 1.078 1.00 0.00 C ATOM 123 C PRO A 9 69.096 0.878 0.603 1.00 0.00 C ATOM 124 O PRO A 9 69.851 0.292 -0.148 1.00 0.00 O ATOM 125 CB PRO A 9 69.711 2.326 2.576 1.00 0.00 C ATOM 126 CG PRO A 9 68.392 2.699 3.293 1.00 0.00 C ATOM 127 CD PRO A 9 67.491 3.369 2.241 1.00 0.00 C ATOM 0 HA PRO A 9 70.231 2.653 0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 9 70.073 1.354 2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 9 70.493 3.052 2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 9 67.912 1.812 3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 9 68.582 3.375 4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 9 66.499 2.918 2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 9 67.355 4.430 2.451 1.00 0.00 H new ATOM 135 N ALA A 10 68.003 0.313 1.038 1.00 0.00 N ATOM 136 CA ALA A 10 67.661 -1.076 0.614 1.00 0.00 C ATOM 137 C ALA A 10 67.924 -1.244 -0.886 1.00 0.00 C ATOM 138 O ALA A 10 68.473 -2.236 -1.322 1.00 0.00 O ATOM 139 CB ALA A 10 66.184 -1.354 0.904 1.00 0.00 C ATOM 0 H ALA A 10 67.332 0.752 1.668 1.00 0.00 H new ATOM 0 HA ALA A 10 68.281 -1.779 1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 10 65.937 -2.369 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 10 65.996 -1.246 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.565 -0.645 0.353 1.00 0.00 H new ATOM 145 N LEU A 11 67.529 -0.285 -1.680 1.00 0.00 N ATOM 146 CA LEU A 11 67.750 -0.396 -3.150 1.00 0.00 C ATOM 147 C LEU A 11 69.016 0.367 -3.542 1.00 0.00 C ATOM 148 O LEU A 11 69.963 -0.201 -4.048 1.00 0.00 O ATOM 149 CB LEU A 11 66.547 0.195 -3.893 1.00 0.00 C ATOM 150 CG LEU A 11 65.249 -0.366 -3.305 1.00 0.00 C ATOM 151 CD1 LEU A 11 64.091 -0.090 -4.268 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.389 -1.876 -3.098 1.00 0.00 C ATOM 0 H LEU A 11 67.063 0.569 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 11 67.865 -1.446 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 11 66.555 1.282 -3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 11 66.610 -0.044 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 11 65.050 0.114 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 11 63.167 -0.489 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.988 0.985 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 11 64.292 -0.569 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.464 -2.273 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.590 -2.357 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.212 -2.074 -2.412 1.00 0.00 H new ATOM 164 N GLY A 12 69.040 1.651 -3.316 1.00 0.00 N ATOM 165 CA GLY A 12 70.245 2.447 -3.680 1.00 0.00 C ATOM 166 C GLY A 12 69.845 3.910 -3.895 1.00 0.00 C ATOM 167 O GLY A 12 68.856 4.365 -3.355 1.00 0.00 O ATOM 0 H GLY A 12 68.278 2.183 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 12 70.993 2.376 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 12 70.699 2.046 -4.586 1.00 0.00 H new ATOM 171 N PRO A 13 70.629 4.602 -4.680 1.00 0.00 N ATOM 172 CA PRO A 13 70.387 6.021 -4.992 1.00 0.00 C ATOM 173 C PRO A 13 69.277 6.154 -6.040 1.00 0.00 C ATOM 174 O PRO A 13 68.988 5.228 -6.772 1.00 0.00 O ATOM 175 CB PRO A 13 71.729 6.501 -5.550 1.00 0.00 C ATOM 176 CG PRO A 13 72.470 5.238 -6.051 1.00 0.00 C ATOM 177 CD PRO A 13 71.829 4.036 -5.330 1.00 0.00 C ATOM 0 HA PRO A 13 70.060 6.602 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 13 71.580 7.212 -6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 13 72.309 7.012 -4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 13 72.375 5.137 -7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 13 73.535 5.300 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 13 71.566 3.244 -6.032 1.00 0.00 H new ATOM 0 HD3 PRO A 13 72.510 3.600 -4.599 1.00 0.00 H new ATOM 185 N GLY A 14 68.653 7.297 -6.115 1.00 0.00 N ATOM 186 CA GLY A 14 67.562 7.486 -7.113 1.00 0.00 C ATOM 187 C GLY A 14 66.228 7.050 -6.502 1.00 0.00 C ATOM 188 O GLY A 14 65.219 7.709 -6.656 1.00 0.00 O ATOM 0 H GLY A 14 68.851 8.108 -5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 14 67.510 8.531 -7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 14 67.771 6.903 -8.010 1.00 0.00 H new ATOM 192 N TRP A 15 66.215 5.945 -5.807 1.00 0.00 N ATOM 193 CA TRP A 15 64.948 5.467 -5.186 1.00 0.00 C ATOM 194 C TRP A 15 64.685 6.251 -3.898 1.00 0.00 C ATOM 195 O TRP A 15 65.552 6.388 -3.054 1.00 0.00 O ATOM 196 CB TRP A 15 65.073 3.976 -4.863 1.00 0.00 C ATOM 197 CG TRP A 15 63.718 3.342 -4.854 1.00 0.00 C ATOM 198 CD1 TRP A 15 63.112 2.817 -3.765 1.00 0.00 C ATOM 199 CD2 TRP A 15 62.796 3.155 -5.965 1.00 0.00 C ATOM 200 NE1 TRP A 15 61.879 2.314 -4.140 1.00 0.00 N ATOM 201 CE2 TRP A 15 61.638 2.500 -5.485 1.00 0.00 C ATOM 202 CE3 TRP A 15 62.853 3.485 -7.328 1.00 0.00 C ATOM 203 CZ2 TRP A 15 60.574 2.185 -6.330 1.00 0.00 C ATOM 204 CZ3 TRP A 15 61.785 3.170 -8.182 1.00 0.00 C ATOM 205 CH2 TRP A 15 60.647 2.521 -7.684 1.00 0.00 C ATOM 0 H TRP A 15 67.029 5.352 -5.643 1.00 0.00 H new ATOM 0 HA TRP A 15 64.120 5.621 -5.878 1.00 0.00 H new ATOM 0 HB2 TRP A 15 65.708 3.487 -5.602 1.00 0.00 H new ATOM 0 HB3 TRP A 15 65.552 3.844 -3.893 1.00 0.00 H new ATOM 0 HD1 TRP A 15 63.523 2.794 -2.767 1.00 0.00 H new ATOM 0 HE1 TRP A 15 61.227 1.861 -3.499 1.00 0.00 H new ATOM 0 HE3 TRP A 15 63.725 3.985 -7.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 59.700 1.685 -5.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 61.840 3.429 -9.229 1.00 0.00 H new ATOM 0 HH2 TRP A 15 59.828 2.281 -8.346 1.00 0.00 H new ATOM 216 N LYS A 16 63.496 6.767 -3.738 1.00 0.00 N ATOM 217 CA LYS A 16 63.179 7.541 -2.506 1.00 0.00 C ATOM 218 C LYS A 16 62.452 6.634 -1.515 1.00 0.00 C ATOM 219 O LYS A 16 61.431 6.053 -1.824 1.00 0.00 O ATOM 220 CB LYS A 16 62.282 8.727 -2.863 1.00 0.00 C ATOM 221 CG LYS A 16 63.065 9.717 -3.726 1.00 0.00 C ATOM 222 CD LYS A 16 64.079 10.463 -2.857 1.00 0.00 C ATOM 223 CE LYS A 16 64.006 11.960 -3.162 1.00 0.00 C ATOM 224 NZ LYS A 16 65.300 12.413 -3.748 1.00 0.00 N ATOM 0 H LYS A 16 62.731 6.685 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 16 64.102 7.908 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 16 61.399 8.380 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 16 61.931 9.218 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 16 63.578 9.188 -4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 16 62.382 10.425 -4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 16 63.871 10.285 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 16 65.085 10.090 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 16 63.190 12.161 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 16 63.793 12.518 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 65.250 13.431 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 66.069 12.235 -3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 65.485 11.889 -4.627 1.00 0.00 H new ATOM 238 N ARG A 17 62.968 6.508 -0.325 1.00 0.00 N ATOM 239 CA ARG A 17 62.302 5.636 0.680 1.00 0.00 C ATOM 240 C ARG A 17 61.477 6.502 1.634 1.00 0.00 C ATOM 241 O ARG A 17 62.012 7.227 2.449 1.00 0.00 O ATOM 242 CB ARG A 17 63.362 4.865 1.471 1.00 0.00 C ATOM 243 CG ARG A 17 62.703 3.698 2.209 1.00 0.00 C ATOM 244 CD ARG A 17 63.296 2.376 1.715 1.00 0.00 C ATOM 245 NE ARG A 17 62.879 2.142 0.304 1.00 0.00 N ATOM 246 CZ ARG A 17 62.932 0.940 -0.202 1.00 0.00 C ATOM 247 NH1 ARG A 17 63.595 0.001 0.413 1.00 0.00 N ATOM 248 NH2 ARG A 17 62.329 0.679 -1.329 1.00 0.00 N ATOM 0 H ARG A 17 63.820 6.970 -0.006 1.00 0.00 H new ATOM 0 HA ARG A 17 61.646 4.928 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 17 64.134 4.493 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 17 63.853 5.528 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 17 62.859 3.799 3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 17 61.626 3.710 2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 17 64.383 2.404 1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 17 62.958 1.555 2.347 1.00 0.00 H new ATOM 0 HE ARG A 17 62.552 2.921 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 17 64.073 0.205 1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 17 63.636 -0.938 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 17 61.816 1.414 -1.815 1.00 0.00 H new ATOM 0 HH22 ARG A 17 62.371 -0.260 -1.724 1.00 0.00 H new ATOM 262 N ARG A 18 60.176 6.438 1.537 1.00 0.00 N ATOM 263 CA ARG A 18 59.321 7.263 2.437 1.00 0.00 C ATOM 264 C ARG A 18 58.804 6.402 3.591 1.00 0.00 C ATOM 265 O ARG A 18 58.400 5.271 3.405 1.00 0.00 O ATOM 266 CB ARG A 18 58.135 7.820 1.646 1.00 0.00 C ATOM 267 CG ARG A 18 57.497 8.971 2.426 1.00 0.00 C ATOM 268 CD ARG A 18 56.290 9.503 1.652 1.00 0.00 C ATOM 269 NE ARG A 18 55.085 9.467 2.526 1.00 0.00 N ATOM 270 CZ ARG A 18 54.302 10.508 2.602 1.00 0.00 C ATOM 271 NH1 ARG A 18 54.221 11.338 1.599 1.00 0.00 N ATOM 272 NH2 ARG A 18 53.601 10.720 3.683 1.00 0.00 N ATOM 0 H ARG A 18 59.670 5.851 0.874 1.00 0.00 H new ATOM 0 HA ARG A 18 59.911 8.087 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 18 58.468 8.169 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.400 7.034 1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.187 8.628 3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 18 58.225 9.768 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 18 56.480 10.523 1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 18 56.123 8.901 0.759 1.00 0.00 H new ATOM 0 HE ARG A 18 54.872 8.628 3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 18 54.770 11.173 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.609 12.152 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 18 53.666 10.072 4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 18 52.989 11.534 3.742 1.00 0.00 H new ATOM 286 N GLU A 19 58.810 6.934 4.783 1.00 0.00 N ATOM 287 CA GLU A 19 58.318 6.155 5.953 1.00 0.00 C ATOM 288 C GLU A 19 57.203 6.938 6.648 1.00 0.00 C ATOM 289 O GLU A 19 57.151 8.150 6.585 1.00 0.00 O ATOM 290 CB GLU A 19 59.472 5.924 6.933 1.00 0.00 C ATOM 291 CG GLU A 19 60.051 7.273 7.369 1.00 0.00 C ATOM 292 CD GLU A 19 61.578 7.239 7.260 1.00 0.00 C ATOM 293 OE1 GLU A 19 62.093 6.277 6.715 1.00 0.00 O ATOM 294 OE2 GLU A 19 62.206 8.176 7.725 1.00 0.00 O ATOM 0 H GLU A 19 59.135 7.877 4.997 1.00 0.00 H new ATOM 0 HA GLU A 19 57.932 5.193 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.119 5.370 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 19 60.247 5.319 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 19 59.650 8.071 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 19 59.755 7.492 8.395 1.00 0.00 H new ATOM 301 N VAL A 20 56.308 6.256 7.309 1.00 0.00 N ATOM 302 CA VAL A 20 55.197 6.965 8.005 1.00 0.00 C ATOM 303 C VAL A 20 55.115 6.485 9.454 1.00 0.00 C ATOM 304 O VAL A 20 55.823 5.586 9.861 1.00 0.00 O ATOM 305 CB VAL A 20 53.876 6.662 7.295 1.00 0.00 C ATOM 306 CG1 VAL A 20 52.883 7.797 7.552 1.00 0.00 C ATOM 307 CG2 VAL A 20 54.123 6.534 5.790 1.00 0.00 C ATOM 0 H VAL A 20 56.298 5.240 7.397 1.00 0.00 H new ATOM 0 HA VAL A 20 55.384 8.039 7.987 1.00 0.00 H new ATOM 0 HB VAL A 20 53.466 5.728 7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 20 51.943 7.579 7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 20 52.705 7.889 8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 20 53.293 8.732 7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 20 53.182 6.318 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 20 54.534 7.468 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 20 54.829 5.724 5.605 1.00 0.00 H new ATOM 478 N ASP A 32 53.355 2.655 7.621 1.00 0.00 N ATOM 479 CA ASP A 32 53.378 2.308 6.173 1.00 0.00 C ATOM 480 C ASP A 32 54.653 2.864 5.536 1.00 0.00 C ATOM 481 O ASP A 32 55.257 3.790 6.040 1.00 0.00 O ATOM 482 CB ASP A 32 52.155 2.915 5.484 1.00 0.00 C ATOM 483 CG ASP A 32 51.375 1.814 4.764 1.00 0.00 C ATOM 484 OD1 ASP A 32 51.999 1.031 4.068 1.00 0.00 O ATOM 485 OD2 ASP A 32 50.165 1.772 4.921 1.00 0.00 O ATOM 0 HA ASP A 32 53.358 1.224 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 32 51.517 3.406 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.467 3.679 4.772 1.00 0.00 H new ATOM 490 N THR A 33 55.070 2.306 4.432 1.00 0.00 N ATOM 491 CA THR A 33 56.307 2.804 3.766 1.00 0.00 C ATOM 492 C THR A 33 56.101 2.820 2.249 1.00 0.00 C ATOM 493 O THR A 33 55.784 1.814 1.646 1.00 0.00 O ATOM 494 CB THR A 33 57.477 1.878 4.111 1.00 0.00 C ATOM 495 OG1 THR A 33 57.377 1.478 5.471 1.00 0.00 O ATOM 496 CG2 THR A 33 58.799 2.615 3.890 1.00 0.00 C ATOM 0 H THR A 33 54.608 1.527 3.963 1.00 0.00 H new ATOM 0 HA THR A 33 56.525 3.814 4.113 1.00 0.00 H new ATOM 0 HB THR A 33 57.444 0.998 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 33 58.124 0.884 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 33 59.630 1.954 4.136 1.00 0.00 H new ATOM 0 HG22 THR A 33 58.875 2.920 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 33 58.835 3.497 4.530 1.00 0.00 H new ATOM 504 N TYR A 34 56.281 3.955 1.627 1.00 0.00 N ATOM 505 CA TYR A 34 56.097 4.033 0.149 1.00 0.00 C ATOM 506 C TYR A 34 57.402 4.495 -0.504 1.00 0.00 C ATOM 507 O TYR A 34 58.279 5.026 0.149 1.00 0.00 O ATOM 508 CB TYR A 34 54.984 5.032 -0.182 1.00 0.00 C ATOM 509 CG TYR A 34 53.947 5.030 0.916 1.00 0.00 C ATOM 510 CD1 TYR A 34 53.448 3.818 1.409 1.00 0.00 C ATOM 511 CD2 TYR A 34 53.481 6.243 1.438 1.00 0.00 C ATOM 512 CE1 TYR A 34 52.483 3.820 2.424 1.00 0.00 C ATOM 513 CE2 TYR A 34 52.516 6.244 2.453 1.00 0.00 C ATOM 514 CZ TYR A 34 52.018 5.033 2.946 1.00 0.00 C ATOM 515 OH TYR A 34 51.067 5.034 3.946 1.00 0.00 O ATOM 0 H TYR A 34 56.547 4.830 2.078 1.00 0.00 H new ATOM 0 HA TYR A 34 55.825 3.048 -0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 34 55.403 6.032 -0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 34 54.520 4.770 -1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 34 53.807 2.882 1.007 1.00 0.00 H new ATOM 0 HD2 TYR A 34 53.866 7.178 1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 34 52.097 2.886 2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 34 52.156 7.180 2.855 1.00 0.00 H new ATOM 0 HH TYR A 34 50.855 5.958 4.195 1.00 0.00 H new ATOM 525 N TYR A 35 57.539 4.300 -1.789 1.00 0.00 N ATOM 526 CA TYR A 35 58.789 4.730 -2.480 1.00 0.00 C ATOM 527 C TYR A 35 58.439 5.544 -3.727 1.00 0.00 C ATOM 528 O TYR A 35 57.363 5.424 -4.281 1.00 0.00 O ATOM 529 CB TYR A 35 59.594 3.501 -2.903 1.00 0.00 C ATOM 530 CG TYR A 35 59.686 2.534 -1.751 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.953 3.008 -0.464 1.00 0.00 C ATOM 532 CD2 TYR A 35 59.507 1.165 -1.971 1.00 0.00 C ATOM 533 CE1 TYR A 35 60.040 2.113 0.608 1.00 0.00 C ATOM 534 CE2 TYR A 35 59.594 0.268 -0.900 1.00 0.00 C ATOM 535 CZ TYR A 35 59.860 0.742 0.390 1.00 0.00 C ATOM 536 OH TYR A 35 59.945 -0.142 1.446 1.00 0.00 O ATOM 0 H TYR A 35 56.840 3.862 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 35 59.378 5.340 -1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 35 59.119 3.019 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 35 60.593 3.800 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 35 60.092 4.066 -0.297 1.00 0.00 H new ATOM 0 HD2 TYR A 35 59.302 0.800 -2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 35 60.246 2.480 1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 35 59.456 -0.790 -1.069 1.00 0.00 H new ATOM 0 HH TYR A 35 60.546 -0.879 1.208 1.00 0.00 H new ATOM 546 N GLN A 36 59.348 6.364 -4.178 1.00 0.00 N ATOM 547 CA GLN A 36 59.085 7.182 -5.395 1.00 0.00 C ATOM 548 C GLN A 36 60.349 7.211 -6.259 1.00 0.00 C ATOM 549 O GLN A 36 61.367 7.746 -5.868 1.00 0.00 O ATOM 550 CB GLN A 36 58.710 8.608 -4.985 1.00 0.00 C ATOM 551 CG GLN A 36 58.730 9.517 -6.215 1.00 0.00 C ATOM 552 CD GLN A 36 58.194 10.899 -5.838 1.00 0.00 C ATOM 553 OE1 GLN A 36 57.265 11.390 -6.449 1.00 0.00 O ATOM 554 NE2 GLN A 36 58.743 11.552 -4.851 1.00 0.00 N ATOM 0 H GLN A 36 60.265 6.503 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 36 58.262 6.745 -5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 36 57.720 8.618 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 36 59.410 8.978 -4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 36 59.746 9.602 -6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 36 58.123 9.084 -7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 36 59.523 11.140 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 36 58.393 12.474 -4.592 1.00 0.00 H new ATOM 563 N SER A 37 60.293 6.633 -7.427 1.00 0.00 N ATOM 564 CA SER A 37 61.492 6.621 -8.312 1.00 0.00 C ATOM 565 C SER A 37 61.860 8.057 -8.699 1.00 0.00 C ATOM 566 O SER A 37 61.060 8.959 -8.560 1.00 0.00 O ATOM 567 CB SER A 37 61.182 5.815 -9.574 1.00 0.00 C ATOM 568 OG SER A 37 60.117 4.914 -9.305 1.00 0.00 O ATOM 0 H SER A 37 59.468 6.168 -7.807 1.00 0.00 H new ATOM 0 HA SER A 37 62.329 6.165 -7.784 1.00 0.00 H new ATOM 0 HB2 SER A 37 60.910 6.485 -10.390 1.00 0.00 H new ATOM 0 HB3 SER A 37 62.067 5.265 -9.895 1.00 0.00 H new ATOM 0 HG SER A 37 60.269 4.476 -8.441 1.00 0.00 H new ATOM 574 N PRO A 38 63.069 8.221 -9.176 1.00 0.00 N ATOM 575 CA PRO A 38 63.585 9.535 -9.598 1.00 0.00 C ATOM 576 C PRO A 38 63.020 9.910 -10.971 1.00 0.00 C ATOM 577 O PRO A 38 63.356 10.933 -11.533 1.00 0.00 O ATOM 578 CB PRO A 38 65.100 9.320 -9.669 1.00 0.00 C ATOM 579 CG PRO A 38 65.316 7.797 -9.840 1.00 0.00 C ATOM 580 CD PRO A 38 64.031 7.111 -9.338 1.00 0.00 C ATOM 0 HA PRO A 38 63.308 10.345 -8.923 1.00 0.00 H new ATOM 0 HB2 PRO A 38 65.532 9.870 -10.505 1.00 0.00 H new ATOM 0 HB3 PRO A 38 65.587 9.682 -8.764 1.00 0.00 H new ATOM 0 HG2 PRO A 38 65.506 7.547 -10.884 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.182 7.462 -9.269 1.00 0.00 H new ATOM 0 HD2 PRO A 38 63.669 6.371 -10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 38 64.200 6.589 -8.396 1.00 0.00 H new ATOM 588 N THR A 39 62.161 9.090 -11.511 1.00 0.00 N ATOM 589 CA THR A 39 61.572 9.398 -12.843 1.00 0.00 C ATOM 590 C THR A 39 60.141 9.906 -12.656 1.00 0.00 C ATOM 591 O THR A 39 59.560 10.500 -13.542 1.00 0.00 O ATOM 592 CB THR A 39 61.559 8.131 -13.701 1.00 0.00 C ATOM 593 OG1 THR A 39 60.831 8.377 -14.896 1.00 0.00 O ATOM 594 CG2 THR A 39 60.898 6.992 -12.923 1.00 0.00 C ATOM 0 H THR A 39 61.842 8.219 -11.086 1.00 0.00 H new ATOM 0 HA THR A 39 62.169 10.163 -13.340 1.00 0.00 H new ATOM 0 HB THR A 39 62.582 7.851 -13.951 1.00 0.00 H new ATOM 0 HG1 THR A 39 60.823 7.567 -15.447 1.00 0.00 H new ATOM 0 HG21 THR A 39 60.889 6.090 -13.535 1.00 0.00 H new ATOM 0 HG22 THR A 39 61.458 6.804 -12.007 1.00 0.00 H new ATOM 0 HG23 THR A 39 59.874 7.269 -12.671 1.00 0.00 H new ATOM 602 N GLY A 40 59.568 9.677 -11.505 1.00 0.00 N ATOM 603 CA GLY A 40 58.176 10.147 -11.258 1.00 0.00 C ATOM 604 C GLY A 40 57.249 8.941 -11.092 1.00 0.00 C ATOM 605 O GLY A 40 56.041 9.064 -11.147 1.00 0.00 O ATOM 0 H GLY A 40 60.004 9.185 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 40 58.145 10.768 -10.363 1.00 0.00 H new ATOM 0 HA3 GLY A 40 57.838 10.767 -12.088 1.00 0.00 H new ATOM 609 N ASP A 41 57.802 7.776 -10.889 1.00 0.00 N ATOM 610 CA ASP A 41 56.948 6.566 -10.719 1.00 0.00 C ATOM 611 C ASP A 41 56.726 6.303 -9.229 1.00 0.00 C ATOM 612 O ASP A 41 57.652 6.021 -8.494 1.00 0.00 O ATOM 613 CB ASP A 41 57.642 5.358 -11.351 1.00 0.00 C ATOM 614 CG ASP A 41 57.173 5.198 -12.798 1.00 0.00 C ATOM 615 OD1 ASP A 41 57.149 6.191 -13.505 1.00 0.00 O ATOM 616 OD2 ASP A 41 56.845 4.084 -13.173 1.00 0.00 O ATOM 0 H ASP A 41 58.807 7.610 -10.834 1.00 0.00 H new ATOM 0 HA ASP A 41 55.987 6.730 -11.207 1.00 0.00 H new ATOM 0 HB2 ASP A 41 58.724 5.490 -11.321 1.00 0.00 H new ATOM 0 HB3 ASP A 41 57.415 4.456 -10.782 1.00 0.00 H new ATOM 621 N ARG A 42 55.506 6.392 -8.775 1.00 0.00 N ATOM 622 CA ARG A 42 55.231 6.145 -7.331 1.00 0.00 C ATOM 623 C ARG A 42 54.702 4.721 -7.147 1.00 0.00 C ATOM 624 O ARG A 42 53.692 4.345 -7.709 1.00 0.00 O ATOM 625 CB ARG A 42 54.190 7.150 -6.831 1.00 0.00 C ATOM 626 CG ARG A 42 52.962 7.117 -7.743 1.00 0.00 C ATOM 627 CD ARG A 42 52.915 8.396 -8.581 1.00 0.00 C ATOM 628 NE ARG A 42 51.525 8.621 -9.070 1.00 0.00 N ATOM 629 CZ ARG A 42 51.135 8.088 -10.196 1.00 0.00 C ATOM 630 NH1 ARG A 42 51.220 6.798 -10.369 1.00 0.00 N ATOM 631 NH2 ARG A 42 50.661 8.845 -11.148 1.00 0.00 N ATOM 0 H ARG A 42 54.689 6.625 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 42 56.152 6.264 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.901 6.911 -5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 42 54.617 8.153 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.003 6.244 -8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.055 7.027 -7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.244 9.247 -7.984 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.600 8.315 -9.425 1.00 0.00 H new ATOM 0 HE ARG A 42 50.879 9.191 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.591 6.207 -9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 42 50.916 6.380 -11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 42 50.595 9.854 -11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.357 8.428 -12.028 1.00 0.00 H new ATOM 645 N ILE A 43 55.377 3.927 -6.360 1.00 0.00 N ATOM 646 CA ILE A 43 54.915 2.526 -6.134 1.00 0.00 C ATOM 647 C ILE A 43 54.788 2.275 -4.634 1.00 0.00 C ATOM 648 O ILE A 43 55.412 2.940 -3.831 1.00 0.00 O ATOM 649 CB ILE A 43 55.931 1.548 -6.728 1.00 0.00 C ATOM 650 CG1 ILE A 43 56.065 1.803 -8.232 1.00 0.00 C ATOM 651 CG2 ILE A 43 55.455 0.113 -6.493 1.00 0.00 C ATOM 652 CD1 ILE A 43 57.476 2.310 -8.540 1.00 0.00 C ATOM 0 H ILE A 43 56.229 4.188 -5.863 1.00 0.00 H new ATOM 0 HA ILE A 43 53.948 2.379 -6.615 1.00 0.00 H new ATOM 0 HB ILE A 43 56.899 1.692 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 43 55.868 0.885 -8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 43 55.325 2.536 -8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 43 56.178 -0.584 -6.916 1.00 0.00 H new ATOM 0 HG22 ILE A 43 55.360 -0.068 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 43 54.487 -0.033 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 43 57.572 2.492 -9.610 1.00 0.00 H new ATOM 0 HD12 ILE A 43 57.656 3.238 -7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 43 58.207 1.562 -8.232 1.00 0.00 H new ATOM 664 N ARG A 44 53.984 1.325 -4.242 1.00 0.00 N ATOM 665 CA ARG A 44 53.831 1.056 -2.787 1.00 0.00 C ATOM 666 C ARG A 44 53.922 -0.444 -2.500 1.00 0.00 C ATOM 667 O ARG A 44 53.987 -0.855 -1.361 1.00 0.00 O ATOM 668 CB ARG A 44 52.484 1.586 -2.306 1.00 0.00 C ATOM 669 CG ARG A 44 52.697 2.345 -1.000 1.00 0.00 C ATOM 670 CD ARG A 44 51.532 3.308 -0.767 1.00 0.00 C ATOM 671 NE ARG A 44 51.837 4.620 -1.404 1.00 0.00 N ATOM 672 CZ ARG A 44 51.054 5.644 -1.198 1.00 0.00 C ATOM 673 NH1 ARG A 44 49.916 5.483 -0.579 1.00 0.00 N ATOM 674 NH2 ARG A 44 51.407 6.830 -1.615 1.00 0.00 N ATOM 0 H ARG A 44 53.432 0.730 -4.860 1.00 0.00 H new ATOM 0 HA ARG A 44 54.637 1.562 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 44 52.046 2.242 -3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 44 51.786 0.763 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 44 52.773 1.644 -0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 44 53.636 2.897 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 44 50.614 2.893 -1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 44 51.364 3.441 0.302 1.00 0.00 H new ATOM 0 HE ARG A 44 52.658 4.718 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 44 49.638 4.556 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 44 49.305 6.284 -0.419 1.00 0.00 H new ATOM 0 HH21 ARG A 44 52.294 6.956 -2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 44 50.795 7.630 -1.454 1.00 0.00 H new ATOM 688 N SER A 45 53.938 -1.270 -3.508 1.00 0.00 N ATOM 689 CA SER A 45 54.042 -2.731 -3.249 1.00 0.00 C ATOM 690 C SER A 45 55.505 -3.067 -2.963 1.00 0.00 C ATOM 691 O SER A 45 56.351 -2.196 -2.932 1.00 0.00 O ATOM 692 CB SER A 45 53.556 -3.511 -4.469 1.00 0.00 C ATOM 693 OG SER A 45 52.381 -4.235 -4.126 1.00 0.00 O ATOM 0 H SER A 45 53.884 -1.000 -4.490 1.00 0.00 H new ATOM 0 HA SER A 45 53.423 -3.005 -2.395 1.00 0.00 H new ATOM 0 HB2 SER A 45 53.349 -2.828 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A 45 54.332 -4.196 -4.810 1.00 0.00 H new ATOM 0 HG SER A 45 51.743 -4.193 -4.868 1.00 0.00 H new ATOM 699 N LYS A 46 55.816 -4.311 -2.743 1.00 0.00 N ATOM 700 CA LYS A 46 57.230 -4.669 -2.450 1.00 0.00 C ATOM 701 C LYS A 46 57.882 -5.268 -3.695 1.00 0.00 C ATOM 702 O LYS A 46 58.887 -4.780 -4.173 1.00 0.00 O ATOM 703 CB LYS A 46 57.273 -5.685 -1.305 1.00 0.00 C ATOM 704 CG LYS A 46 58.683 -6.267 -1.185 1.00 0.00 C ATOM 705 CD LYS A 46 58.665 -7.454 -0.220 1.00 0.00 C ATOM 706 CE LYS A 46 58.233 -8.715 -0.970 1.00 0.00 C ATOM 707 NZ LYS A 46 58.290 -9.885 -0.049 1.00 0.00 N ATOM 0 H LYS A 46 55.159 -5.091 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 46 57.776 -3.771 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 46 56.986 -5.205 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 46 56.554 -6.484 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 46 59.041 -6.586 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 46 59.374 -5.504 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 46 59.654 -7.598 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 46 57.980 -7.256 0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 46 57.221 -8.592 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 46 58.884 -8.882 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 57.824 -10.701 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 59.283 -10.120 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 57.803 -9.651 0.840 1.00 0.00 H new ATOM 721 N VAL A 47 57.327 -6.320 -4.225 1.00 0.00 N ATOM 722 CA VAL A 47 57.933 -6.936 -5.436 1.00 0.00 C ATOM 723 C VAL A 47 57.432 -6.207 -6.680 1.00 0.00 C ATOM 724 O VAL A 47 57.990 -6.336 -7.751 1.00 0.00 O ATOM 725 CB VAL A 47 57.552 -8.413 -5.508 1.00 0.00 C ATOM 726 CG1 VAL A 47 58.189 -9.044 -6.748 1.00 0.00 C ATOM 727 CG2 VAL A 47 58.065 -9.124 -4.252 1.00 0.00 C ATOM 0 H VAL A 47 56.485 -6.778 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 47 59.019 -6.853 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 47 56.468 -8.511 -5.570 1.00 0.00 H new ATOM 0 HG11 VAL A 47 57.917 -10.098 -6.800 1.00 0.00 H new ATOM 0 HG12 VAL A 47 57.831 -8.533 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 47 59.273 -8.951 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 47 57.797 -10.180 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 47 59.149 -9.027 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 47 57.615 -8.672 -3.368 1.00 0.00 H new ATOM 737 N GLU A 48 56.394 -5.426 -6.551 1.00 0.00 N ATOM 738 CA GLU A 48 55.886 -4.681 -7.734 1.00 0.00 C ATOM 739 C GLU A 48 56.840 -3.525 -8.021 1.00 0.00 C ATOM 740 O GLU A 48 57.183 -3.261 -9.156 1.00 0.00 O ATOM 741 CB GLU A 48 54.488 -4.132 -7.454 1.00 0.00 C ATOM 742 CG GLU A 48 53.509 -5.293 -7.276 1.00 0.00 C ATOM 743 CD GLU A 48 52.328 -5.112 -8.233 1.00 0.00 C ATOM 744 OE1 GLU A 48 51.427 -4.364 -7.893 1.00 0.00 O ATOM 745 OE2 GLU A 48 52.347 -5.723 -9.289 1.00 0.00 O ATOM 0 H GLU A 48 55.880 -5.273 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 48 55.830 -5.350 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 48 54.502 -3.514 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 48 54.165 -3.493 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 48 54.011 -6.240 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 48 53.155 -5.330 -6.246 1.00 0.00 H new ATOM 752 N LEU A 49 57.290 -2.841 -7.000 1.00 0.00 N ATOM 753 CA LEU A 49 58.239 -1.721 -7.239 1.00 0.00 C ATOM 754 C LEU A 49 59.580 -2.317 -7.664 1.00 0.00 C ATOM 755 O LEU A 49 60.326 -1.724 -8.419 1.00 0.00 O ATOM 756 CB LEU A 49 58.396 -0.891 -5.960 1.00 0.00 C ATOM 757 CG LEU A 49 59.323 -1.605 -4.979 1.00 0.00 C ATOM 758 CD1 LEU A 49 60.723 -0.992 -5.062 1.00 0.00 C ATOM 759 CD2 LEU A 49 58.776 -1.438 -3.561 1.00 0.00 C ATOM 0 H LEU A 49 57.043 -3.009 -6.025 1.00 0.00 H new ATOM 0 HA LEU A 49 57.865 -1.063 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 49 58.799 0.092 -6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 49 57.421 -0.731 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 49 59.377 -2.665 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 49 61.385 -1.501 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 49 61.110 -1.104 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 49 60.672 0.067 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 49 59.433 -1.946 -2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 49 58.726 -0.378 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 49 57.778 -1.871 -3.503 1.00 0.00 H new ATOM 771 N THR A 50 59.876 -3.506 -7.209 1.00 0.00 N ATOM 772 CA THR A 50 61.149 -4.161 -7.614 1.00 0.00 C ATOM 773 C THR A 50 61.006 -4.577 -9.079 1.00 0.00 C ATOM 774 O THR A 50 61.891 -4.382 -9.888 1.00 0.00 O ATOM 775 CB THR A 50 61.411 -5.381 -6.702 1.00 0.00 C ATOM 776 OG1 THR A 50 62.718 -5.281 -6.157 1.00 0.00 O ATOM 777 CG2 THR A 50 61.291 -6.702 -7.479 1.00 0.00 C ATOM 0 H THR A 50 59.290 -4.049 -6.575 1.00 0.00 H new ATOM 0 HA THR A 50 61.998 -3.485 -7.510 1.00 0.00 H new ATOM 0 HB THR A 50 60.662 -5.382 -5.910 1.00 0.00 H new ATOM 0 HG1 THR A 50 63.312 -4.854 -6.809 1.00 0.00 H new ATOM 0 HG21 THR A 50 61.481 -7.538 -6.806 1.00 0.00 H new ATOM 0 HG22 THR A 50 60.287 -6.791 -7.893 1.00 0.00 H new ATOM 0 HG23 THR A 50 62.020 -6.715 -8.289 1.00 0.00 H new ATOM 785 N ARG A 51 59.876 -5.135 -9.420 1.00 0.00 N ATOM 786 CA ARG A 51 59.637 -5.552 -10.826 1.00 0.00 C ATOM 787 C ARG A 51 59.705 -4.315 -11.717 1.00 0.00 C ATOM 788 O ARG A 51 59.931 -4.400 -12.908 1.00 0.00 O ATOM 789 CB ARG A 51 58.244 -6.177 -10.934 1.00 0.00 C ATOM 790 CG ARG A 51 58.346 -7.695 -10.786 1.00 0.00 C ATOM 791 CD ARG A 51 58.515 -8.326 -12.169 1.00 0.00 C ATOM 792 NE ARG A 51 57.795 -9.630 -12.214 1.00 0.00 N ATOM 793 CZ ARG A 51 58.309 -10.679 -11.634 1.00 0.00 C ATOM 794 NH1 ARG A 51 58.275 -10.787 -10.334 1.00 0.00 N ATOM 795 NH2 ARG A 51 58.855 -11.622 -12.352 1.00 0.00 N ATOM 0 H ARG A 51 59.105 -5.320 -8.779 1.00 0.00 H new ATOM 0 HA ARG A 51 60.387 -6.279 -11.137 1.00 0.00 H new ATOM 0 HB2 ARG A 51 57.592 -5.770 -10.161 1.00 0.00 H new ATOM 0 HB3 ARG A 51 57.796 -5.925 -11.895 1.00 0.00 H new ATOM 0 HG2 ARG A 51 59.192 -7.954 -10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 51 57.451 -8.086 -10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 51 58.124 -7.657 -12.936 1.00 0.00 H new ATOM 0 HD3 ARG A 51 59.573 -8.475 -12.385 1.00 0.00 H new ATOM 0 HE ARG A 51 56.900 -9.702 -12.698 1.00 0.00 H new ATOM 0 HH11 ARG A 51 57.847 -10.051 -9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 51 58.677 -11.607 -9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 51 58.880 -11.539 -13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 51 59.257 -12.442 -11.897 1.00 0.00 H new ATOM 809 N TYR A 52 59.506 -3.161 -11.140 1.00 0.00 N ATOM 810 CA TYR A 52 59.553 -1.907 -11.936 1.00 0.00 C ATOM 811 C TYR A 52 61.010 -1.555 -12.247 1.00 0.00 C ATOM 812 O TYR A 52 61.406 -1.476 -13.393 1.00 0.00 O ATOM 813 CB TYR A 52 58.908 -0.774 -11.133 1.00 0.00 C ATOM 814 CG TYR A 52 59.017 0.520 -11.903 1.00 0.00 C ATOM 815 CD1 TYR A 52 58.185 0.751 -13.005 1.00 0.00 C ATOM 816 CD2 TYR A 52 59.949 1.489 -11.514 1.00 0.00 C ATOM 817 CE1 TYR A 52 58.285 1.952 -13.717 1.00 0.00 C ATOM 818 CE2 TYR A 52 60.050 2.690 -12.226 1.00 0.00 C ATOM 819 CZ TYR A 52 59.218 2.922 -13.327 1.00 0.00 C ATOM 820 OH TYR A 52 59.318 4.106 -14.028 1.00 0.00 O ATOM 0 H TYR A 52 59.312 -3.035 -10.147 1.00 0.00 H new ATOM 0 HA TYR A 52 59.009 -2.044 -12.870 1.00 0.00 H new ATOM 0 HB2 TYR A 52 57.861 -1.005 -10.937 1.00 0.00 H new ATOM 0 HB3 TYR A 52 59.400 -0.675 -10.165 1.00 0.00 H new ATOM 0 HD1 TYR A 52 57.466 0.003 -13.306 1.00 0.00 H new ATOM 0 HD2 TYR A 52 60.591 1.310 -10.664 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.643 2.131 -14.567 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.770 3.437 -11.926 1.00 0.00 H new ATOM 0 HH TYR A 52 58.546 4.200 -14.624 1.00 0.00 H new ATOM 830 N LEU A 53 61.814 -1.347 -11.238 1.00 0.00 N ATOM 831 CA LEU A 53 63.245 -1.007 -11.488 1.00 0.00 C ATOM 832 C LEU A 53 63.879 -2.098 -12.350 1.00 0.00 C ATOM 833 O LEU A 53 64.570 -1.822 -13.310 1.00 0.00 O ATOM 834 CB LEU A 53 64.000 -0.918 -10.159 1.00 0.00 C ATOM 835 CG LEU A 53 63.210 -0.061 -9.171 1.00 0.00 C ATOM 836 CD1 LEU A 53 62.755 -0.929 -7.997 1.00 0.00 C ATOM 837 CD2 LEU A 53 64.103 1.067 -8.650 1.00 0.00 C ATOM 0 H LEU A 53 61.543 -1.398 -10.256 1.00 0.00 H new ATOM 0 HA LEU A 53 63.301 -0.047 -12.000 1.00 0.00 H new ATOM 0 HB2 LEU A 53 64.151 -1.916 -9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 53 64.988 -0.487 -10.320 1.00 0.00 H new ATOM 0 HG LEU A 53 62.339 0.363 -9.671 1.00 0.00 H new ATOM 0 HD11 LEU A 53 62.191 -0.319 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 53 62.122 -1.737 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 53 63.627 -1.351 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 53 63.541 1.680 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 53 64.972 0.641 -8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 53 64.433 1.685 -9.485 1.00 0.00 H new ATOM 849 N GLY A 54 63.650 -3.337 -12.012 1.00 0.00 N ATOM 850 CA GLY A 54 64.240 -4.448 -12.807 1.00 0.00 C ATOM 851 C GLY A 54 64.966 -5.417 -11.869 1.00 0.00 C ATOM 852 O GLY A 54 64.603 -5.552 -10.717 1.00 0.00 O ATOM 0 H GLY A 54 63.079 -3.627 -11.218 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.457 -4.973 -13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 54 64.935 -4.051 -13.546 1.00 0.00 H new ATOM 856 N PRO A 55 65.973 -6.065 -12.396 1.00 0.00 N ATOM 857 CA PRO A 55 66.779 -7.036 -11.635 1.00 0.00 C ATOM 858 C PRO A 55 67.791 -6.311 -10.743 1.00 0.00 C ATOM 859 O PRO A 55 68.245 -6.838 -9.747 1.00 0.00 O ATOM 860 CB PRO A 55 67.495 -7.837 -12.726 1.00 0.00 C ATOM 861 CG PRO A 55 67.516 -6.938 -13.986 1.00 0.00 C ATOM 862 CD PRO A 55 66.401 -5.892 -13.800 1.00 0.00 C ATOM 0 HA PRO A 55 66.182 -7.661 -10.971 1.00 0.00 H new ATOM 0 HB2 PRO A 55 68.508 -8.096 -12.417 1.00 0.00 H new ATOM 0 HB3 PRO A 55 66.974 -8.773 -12.926 1.00 0.00 H new ATOM 0 HG2 PRO A 55 68.486 -6.454 -14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 55 67.347 -7.529 -14.886 1.00 0.00 H new ATOM 0 HD2 PRO A 55 66.768 -4.882 -13.983 1.00 0.00 H new ATOM 0 HD3 PRO A 55 65.576 -6.062 -14.492 1.00 0.00 H new ATOM 870 N ALA A 56 68.153 -5.108 -11.098 1.00 0.00 N ATOM 871 CA ALA A 56 69.139 -4.352 -10.276 1.00 0.00 C ATOM 872 C ALA A 56 68.550 -4.062 -8.895 1.00 0.00 C ATOM 873 O ALA A 56 69.265 -3.797 -7.950 1.00 0.00 O ATOM 874 CB ALA A 56 69.480 -3.034 -10.974 1.00 0.00 C ATOM 0 H ALA A 56 67.808 -4.616 -11.922 1.00 0.00 H new ATOM 0 HA ALA A 56 70.044 -4.949 -10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.201 -2.480 -10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 56 69.908 -3.242 -11.955 1.00 0.00 H new ATOM 0 HB3 ALA A 56 68.574 -2.440 -11.092 1.00 0.00 H new ATOM 880 N CYS A 57 67.253 -4.109 -8.768 1.00 0.00 N ATOM 881 CA CYS A 57 66.631 -3.834 -7.443 1.00 0.00 C ATOM 882 C CYS A 57 65.578 -4.898 -7.138 1.00 0.00 C ATOM 883 O CYS A 57 64.485 -4.875 -7.670 1.00 0.00 O ATOM 884 CB CYS A 57 65.968 -2.457 -7.468 1.00 0.00 C ATOM 885 SG CYS A 57 67.168 -1.220 -8.022 1.00 0.00 S ATOM 0 H CYS A 57 66.599 -4.325 -9.521 1.00 0.00 H new ATOM 0 HA CYS A 57 67.401 -3.856 -6.672 1.00 0.00 H new ATOM 0 HB2 CYS A 57 65.107 -2.468 -8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 57 65.598 -2.201 -6.475 1.00 0.00 H new ATOM 0 HG CYS A 57 67.024 -0.133 -7.325 1.00 0.00 H new ATOM 891 N ASP A 58 65.894 -5.830 -6.283 1.00 0.00 N ATOM 892 CA ASP A 58 64.906 -6.891 -5.941 1.00 0.00 C ATOM 893 C ASP A 58 64.325 -6.604 -4.556 1.00 0.00 C ATOM 894 O ASP A 58 64.973 -6.018 -3.711 1.00 0.00 O ATOM 895 CB ASP A 58 65.589 -8.265 -5.933 1.00 0.00 C ATOM 896 CG ASP A 58 66.840 -8.234 -6.817 1.00 0.00 C ATOM 897 OD1 ASP A 58 67.824 -7.647 -6.396 1.00 0.00 O ATOM 898 OD2 ASP A 58 66.792 -8.799 -7.897 1.00 0.00 O ATOM 0 H ASP A 58 66.793 -5.903 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 58 64.110 -6.896 -6.686 1.00 0.00 H new ATOM 0 HB2 ASP A 58 65.861 -8.539 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 58 64.897 -9.026 -6.294 1.00 0.00 H new ATOM 903 N LEU A 59 63.110 -7.010 -4.315 1.00 0.00 N ATOM 904 CA LEU A 59 62.490 -6.757 -2.986 1.00 0.00 C ATOM 905 C LEU A 59 61.803 -8.030 -2.494 1.00 0.00 C ATOM 906 O LEU A 59 61.092 -8.023 -1.508 1.00 0.00 O ATOM 907 CB LEU A 59 61.459 -5.636 -3.114 1.00 0.00 C ATOM 908 CG LEU A 59 62.146 -4.289 -2.897 1.00 0.00 C ATOM 909 CD1 LEU A 59 62.368 -3.604 -4.246 1.00 0.00 C ATOM 910 CD2 LEU A 59 61.259 -3.409 -2.019 1.00 0.00 C ATOM 0 H LEU A 59 62.519 -7.507 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 59 63.260 -6.463 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 59 60.994 -5.665 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 59 60.663 -5.773 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 59 63.108 -4.444 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.858 -2.643 -4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.997 -4.234 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 59 61.407 -3.446 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 59 61.745 -2.446 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 59 60.299 -3.255 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 59 61.100 -3.897 -1.058 1.00 0.00 H new ATOM 922 N THR A 60 62.012 -9.124 -3.171 1.00 0.00 N ATOM 923 CA THR A 60 61.373 -10.397 -2.740 1.00 0.00 C ATOM 924 C THR A 60 61.584 -10.585 -1.238 1.00 0.00 C ATOM 925 O THR A 60 60.669 -10.905 -0.506 1.00 0.00 O ATOM 926 CB THR A 60 62.012 -11.564 -3.494 1.00 0.00 C ATOM 927 OG1 THR A 60 62.268 -11.175 -4.836 1.00 0.00 O ATOM 928 CG2 THR A 60 61.062 -12.758 -3.479 1.00 0.00 C ATOM 0 H THR A 60 62.597 -9.191 -4.004 1.00 0.00 H new ATOM 0 HA THR A 60 60.305 -10.364 -2.957 1.00 0.00 H new ATOM 0 HB THR A 60 62.950 -11.841 -3.012 1.00 0.00 H new ATOM 0 HG1 THR A 60 62.679 -11.921 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 60 61.516 -13.591 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 60 60.866 -13.054 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 60 60.124 -12.483 -3.962 1.00 0.00 H new ATOM 936 N LEU A 61 62.787 -10.387 -0.774 1.00 0.00 N ATOM 937 CA LEU A 61 63.067 -10.553 0.679 1.00 0.00 C ATOM 938 C LEU A 61 63.076 -9.184 1.357 1.00 0.00 C ATOM 939 O LEU A 61 63.250 -9.076 2.555 1.00 0.00 O ATOM 940 CB LEU A 61 64.434 -11.214 0.861 1.00 0.00 C ATOM 941 CG LEU A 61 64.323 -12.705 0.533 1.00 0.00 C ATOM 942 CD1 LEU A 61 63.448 -13.390 1.582 1.00 0.00 C ATOM 943 CD2 LEU A 61 63.689 -12.881 -0.851 1.00 0.00 C ATOM 0 H LEU A 61 63.591 -10.116 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 61 62.294 -11.178 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 61 65.169 -10.741 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 61 64.782 -11.080 1.885 1.00 0.00 H new ATOM 0 HG LEU A 61 65.317 -13.152 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 61 63.367 -14.452 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 61 63.897 -13.266 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.455 -12.941 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 61 63.611 -13.943 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 61 62.695 -12.434 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 61 64.310 -12.391 -1.601 1.00 0.00 H new ATOM 955 N PHE A 62 62.894 -8.137 0.603 1.00 0.00 N ATOM 956 CA PHE A 62 62.897 -6.779 1.208 1.00 0.00 C ATOM 957 C PHE A 62 61.781 -6.682 2.250 1.00 0.00 C ATOM 958 O PHE A 62 60.640 -7.005 1.984 1.00 0.00 O ATOM 959 CB PHE A 62 62.673 -5.736 0.112 1.00 0.00 C ATOM 960 CG PHE A 62 62.432 -4.386 0.741 1.00 0.00 C ATOM 961 CD1 PHE A 62 63.511 -3.630 1.213 1.00 0.00 C ATOM 962 CD2 PHE A 62 61.128 -3.889 0.851 1.00 0.00 C ATOM 963 CE1 PHE A 62 63.287 -2.377 1.795 1.00 0.00 C ATOM 964 CE2 PHE A 62 60.903 -2.637 1.433 1.00 0.00 C ATOM 965 CZ PHE A 62 61.983 -1.880 1.905 1.00 0.00 C ATOM 0 H PHE A 62 62.743 -8.164 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 62 63.856 -6.595 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 62 63.541 -5.692 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 62 61.820 -6.019 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 62 64.517 -4.014 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 62 60.295 -4.472 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 62 64.120 -1.794 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 62 59.897 -2.254 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 62 61.810 -0.913 2.354 1.00 0.00 H new ATOM 975 N ASP A 63 62.100 -6.238 3.435 1.00 0.00 N ATOM 976 CA ASP A 63 61.057 -6.118 4.491 1.00 0.00 C ATOM 977 C ASP A 63 60.250 -4.844 4.248 1.00 0.00 C ATOM 978 O ASP A 63 60.684 -3.755 4.563 1.00 0.00 O ATOM 979 CB ASP A 63 61.725 -6.045 5.867 1.00 0.00 C ATOM 980 CG ASP A 63 61.591 -7.394 6.575 1.00 0.00 C ATOM 981 OD1 ASP A 63 60.843 -8.226 6.087 1.00 0.00 O ATOM 982 OD2 ASP A 63 62.239 -7.573 7.594 1.00 0.00 O ATOM 0 H ASP A 63 63.038 -5.953 3.717 1.00 0.00 H new ATOM 0 HA ASP A 63 60.398 -6.986 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 63 62.777 -5.783 5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 63 61.262 -5.261 6.466 1.00 0.00 H new ATOM 987 N PHE A 64 59.082 -4.971 3.680 1.00 0.00 N ATOM 988 CA PHE A 64 58.254 -3.764 3.407 1.00 0.00 C ATOM 989 C PHE A 64 57.798 -3.149 4.732 1.00 0.00 C ATOM 990 O PHE A 64 56.619 -3.056 5.012 1.00 0.00 O ATOM 991 CB PHE A 64 57.032 -4.161 2.578 1.00 0.00 C ATOM 992 CG PHE A 64 56.793 -3.116 1.517 1.00 0.00 C ATOM 993 CD1 PHE A 64 57.652 -3.033 0.416 1.00 0.00 C ATOM 994 CD2 PHE A 64 55.720 -2.225 1.636 1.00 0.00 C ATOM 995 CE1 PHE A 64 57.439 -2.061 -0.565 1.00 0.00 C ATOM 996 CE2 PHE A 64 55.507 -1.253 0.653 1.00 0.00 C ATOM 997 CZ PHE A 64 56.367 -1.171 -0.447 1.00 0.00 C ATOM 0 H PHE A 64 58.666 -5.857 3.394 1.00 0.00 H new ATOM 0 HA PHE A 64 58.845 -3.034 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 64 57.192 -5.135 2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 64 56.156 -4.252 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 64 58.480 -3.720 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 64 55.057 -2.288 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 64 58.103 -1.997 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 64 54.679 -0.566 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 64 56.203 -0.420 -1.206 1.00 0.00 H new ATOM 1007 N LYS A 65 58.724 -2.731 5.550 1.00 0.00 N ATOM 1008 CA LYS A 65 58.349 -2.126 6.858 1.00 0.00 C ATOM 1009 C LYS A 65 59.605 -1.591 7.551 1.00 0.00 C ATOM 1010 O LYS A 65 59.585 -0.548 8.174 1.00 0.00 O ATOM 1011 CB LYS A 65 57.693 -3.191 7.739 1.00 0.00 C ATOM 1012 CG LYS A 65 57.270 -2.566 9.070 1.00 0.00 C ATOM 1013 CD LYS A 65 58.243 -2.996 10.169 1.00 0.00 C ATOM 1014 CE LYS A 65 57.858 -4.386 10.678 1.00 0.00 C ATOM 1015 NZ LYS A 65 59.029 -5.301 10.561 1.00 0.00 N ATOM 0 H LYS A 65 59.726 -2.783 5.368 1.00 0.00 H new ATOM 0 HA LYS A 65 57.649 -1.307 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 65 56.825 -3.613 7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 65 58.389 -4.011 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 65 57.257 -1.479 8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 65 56.257 -2.878 9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 65 59.262 -3.008 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 65 58.222 -2.278 10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 65 57.532 -4.327 11.716 1.00 0.00 H new ATOM 0 HE3 LYS A 65 57.019 -4.776 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 58.740 -6.268 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 59.384 -5.287 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 59.781 -4.987 11.207 1.00 0.00 H new ATOM 1029 N GLN A 66 60.698 -2.298 7.447 1.00 0.00 N ATOM 1030 CA GLN A 66 61.953 -1.829 8.099 1.00 0.00 C ATOM 1031 C GLN A 66 62.855 -1.168 7.055 1.00 0.00 C ATOM 1032 O GLN A 66 63.484 -0.161 7.313 1.00 0.00 O ATOM 1033 CB GLN A 66 62.681 -3.021 8.720 1.00 0.00 C ATOM 1034 CG GLN A 66 62.128 -3.283 10.123 1.00 0.00 C ATOM 1035 CD GLN A 66 63.099 -4.175 10.900 1.00 0.00 C ATOM 1036 OE1 GLN A 66 63.040 -4.243 12.112 1.00 0.00 O ATOM 1037 NE2 GLN A 66 63.997 -4.869 10.252 1.00 0.00 N ATOM 0 H GLN A 66 60.775 -3.179 6.939 1.00 0.00 H new ATOM 0 HA GLN A 66 61.709 -1.106 8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 66 62.552 -3.905 8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 66 63.751 -2.821 8.771 1.00 0.00 H new ATOM 0 HG2 GLN A 66 61.984 -2.340 10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 66 61.152 -3.763 10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 66 64.048 -4.813 9.235 1.00 0.00 H new ATOM 0 HE22 GLN A 66 64.647 -5.466 10.763 1.00 0.00 H new ATOM 1046 N GLY A 67 62.920 -1.724 5.876 1.00 0.00 N ATOM 1047 CA GLY A 67 63.778 -1.122 4.816 1.00 0.00 C ATOM 1048 C GLY A 67 65.022 -1.988 4.595 1.00 0.00 C ATOM 1049 O GLY A 67 66.097 -1.486 4.334 1.00 0.00 O ATOM 0 H GLY A 67 62.417 -2.568 5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 67 63.215 -1.035 3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 67 64.073 -0.113 5.105 1.00 0.00 H new ATOM 1053 N ILE A 68 64.888 -3.283 4.694 1.00 0.00 N ATOM 1054 CA ILE A 68 66.069 -4.171 4.484 1.00 0.00 C ATOM 1055 C ILE A 68 65.644 -5.422 3.706 1.00 0.00 C ATOM 1056 O ILE A 68 64.475 -5.738 3.608 1.00 0.00 O ATOM 1057 CB ILE A 68 66.647 -4.586 5.839 1.00 0.00 C ATOM 1058 CG1 ILE A 68 65.533 -5.166 6.714 1.00 0.00 C ATOM 1059 CG2 ILE A 68 67.253 -3.364 6.532 1.00 0.00 C ATOM 1060 CD1 ILE A 68 65.618 -6.693 6.703 1.00 0.00 C ATOM 0 H ILE A 68 64.015 -3.764 4.910 1.00 0.00 H new ATOM 0 HA ILE A 68 66.826 -3.632 3.915 1.00 0.00 H new ATOM 0 HB ILE A 68 67.420 -5.339 5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 68 65.626 -4.793 7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 68 64.560 -4.843 6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 68 67.665 -3.660 7.497 1.00 0.00 H new ATOM 0 HG22 ILE A 68 68.047 -2.950 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 68 66.480 -2.611 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 68 64.825 -7.106 7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 68 65.504 -7.056 5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 68 66.586 -7.006 7.093 1.00 0.00 H new ATOM 1072 N LEU A 69 66.589 -6.139 3.157 1.00 0.00 N ATOM 1073 CA LEU A 69 66.250 -7.370 2.391 1.00 0.00 C ATOM 1074 C LEU A 69 67.356 -8.406 2.597 1.00 0.00 C ATOM 1075 O LEU A 69 68.376 -8.126 3.195 1.00 0.00 O ATOM 1076 CB LEU A 69 66.146 -7.034 0.902 1.00 0.00 C ATOM 1077 CG LEU A 69 67.507 -6.557 0.393 1.00 0.00 C ATOM 1078 CD1 LEU A 69 67.739 -7.087 -1.022 1.00 0.00 C ATOM 1079 CD2 LEU A 69 67.535 -5.029 0.375 1.00 0.00 C ATOM 0 H LEU A 69 67.584 -5.922 3.208 1.00 0.00 H new ATOM 0 HA LEU A 69 65.297 -7.768 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.823 -7.911 0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 69 65.395 -6.260 0.744 1.00 0.00 H new ATOM 0 HG LEU A 69 68.292 -6.929 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 68.709 -6.746 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 69 67.718 -8.177 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 69 66.955 -6.716 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 69 68.504 -4.687 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 66.750 -4.658 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 69 67.371 -4.650 1.384 1.00 0.00 H new ATOM 1091 N CYS A 70 67.169 -9.598 2.102 1.00 0.00 N ATOM 1092 CA CYS A 70 68.218 -10.642 2.268 1.00 0.00 C ATOM 1093 C CYS A 70 68.139 -11.630 1.103 1.00 0.00 C ATOM 1094 O CYS A 70 67.068 -12.010 0.673 1.00 0.00 O ATOM 1095 CB CYS A 70 67.998 -11.387 3.586 1.00 0.00 C ATOM 1096 SG CYS A 70 66.224 -11.626 3.855 1.00 0.00 S ATOM 0 H CYS A 70 66.337 -9.894 1.591 1.00 0.00 H new ATOM 0 HA CYS A 70 69.201 -10.170 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 70 68.506 -12.351 3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 70 68.429 -10.821 4.412 1.00 0.00 H new ATOM 0 HG CYS A 70 66.036 -12.261 4.974 1.00 0.00 H new