USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -63:sc= 0.0931 USER MOD Single : A 20 CYS SG : rot 180:sc= -2.89 USER MOD Single : A 21 SER OG : rot -99:sc= 1.16 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.101) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-3.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00619 USER MOD Single : A 39 THR OG1 : rot 71:sc= -0.345 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0.282 USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.106) USER MOD Single : A 55 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.0791) USER MOD Single : A 56 GLN : amide:sc= -0.0155 X(o=-0.016,f=-0.016) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.81 K(o=-2.8,f=-5!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.476 16.402 1.160 1.00 0.00 N ATOM 137 CA PRO A 9 2.372 15.002 1.639 1.00 0.00 C ATOM 138 C PRO A 9 1.022 14.766 2.322 1.00 0.00 C ATOM 139 O PRO A 9 0.884 14.933 3.519 1.00 0.00 O ATOM 140 CB PRO A 9 3.520 14.871 2.635 1.00 0.00 C ATOM 141 CG PRO A 9 3.785 16.264 3.109 1.00 0.00 C ATOM 142 CD PRO A 9 3.398 17.197 1.990 1.00 0.00 C ATOM 0 HA PRO A 9 2.433 14.271 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.250 14.217 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.403 14.440 2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.208 16.481 4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.836 16.389 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.916 18.097 2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.270 17.519 1.420 1.00 0.00 H new ATOM 150 N LYS A 10 0.025 14.387 1.561 1.00 0.00 N ATOM 151 CA LYS A 10 -1.332 14.139 2.147 1.00 0.00 C ATOM 152 C LYS A 10 -1.255 13.101 3.273 1.00 0.00 C ATOM 153 O LYS A 10 -0.184 12.705 3.693 1.00 0.00 O ATOM 154 CB LYS A 10 -2.183 13.610 0.988 1.00 0.00 C ATOM 155 CG LYS A 10 -3.178 14.684 0.540 1.00 0.00 C ATOM 156 CD LYS A 10 -3.453 14.530 -0.958 1.00 0.00 C ATOM 157 CE LYS A 10 -4.344 13.309 -1.191 1.00 0.00 C ATOM 158 NZ LYS A 10 -4.079 12.903 -2.600 1.00 0.00 N ATOM 0 H LYS A 10 0.092 14.238 0.554 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.755 15.044 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.541 13.326 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.718 12.713 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.107 14.592 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.777 15.676 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.939 15.427 -1.343 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.515 14.417 -1.501 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.102 12.505 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.396 13.553 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.655 12.070 -2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.325 13.686 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.072 12.670 -2.710 1.00 0.00 H new ATOM 172 N ARG A 11 -2.387 12.659 3.764 1.00 0.00 N ATOM 173 CA ARG A 11 -2.391 11.647 4.868 1.00 0.00 C ATOM 174 C ARG A 11 -1.605 10.390 4.449 1.00 0.00 C ATOM 175 O ARG A 11 -1.714 9.956 3.319 1.00 0.00 O ATOM 176 CB ARG A 11 -3.867 11.301 5.092 1.00 0.00 C ATOM 177 CG ARG A 11 -4.390 12.041 6.325 1.00 0.00 C ATOM 178 CD ARG A 11 -5.858 11.676 6.556 1.00 0.00 C ATOM 179 NE ARG A 11 -6.024 11.674 8.036 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.571 12.698 8.633 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.781 13.067 8.316 1.00 0.00 N ATOM 182 NH2 ARG A 11 -5.907 13.351 9.547 1.00 0.00 N ATOM 0 H ARG A 11 -3.310 12.956 3.448 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.919 12.031 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.452 11.577 4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.982 10.225 5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.797 11.776 7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.290 13.117 6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.524 12.399 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.094 10.701 6.131 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.710 10.872 8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.300 12.556 7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.209 13.867 8.782 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.961 13.061 9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.334 14.151 10.014 1.00 0.00 H new ATOM 196 N PRO A 12 -0.834 9.840 5.366 1.00 0.00 N ATOM 197 CA PRO A 12 -0.043 8.629 5.044 1.00 0.00 C ATOM 198 C PRO A 12 -0.950 7.385 5.042 1.00 0.00 C ATOM 199 O PRO A 12 -1.730 7.202 5.956 1.00 0.00 O ATOM 200 CB PRO A 12 0.975 8.550 6.176 1.00 0.00 C ATOM 201 CG PRO A 12 0.346 9.273 7.326 1.00 0.00 C ATOM 202 CD PRO A 12 -0.624 10.276 6.757 1.00 0.00 C ATOM 0 HA PRO A 12 0.424 8.673 4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.195 7.514 6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.919 9.014 5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.169 8.572 7.983 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.106 9.773 7.926 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.560 10.284 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.219 11.287 6.799 1.00 0.00 H new ATOM 210 N PRO A 13 -0.826 6.559 4.021 1.00 0.00 N ATOM 211 CA PRO A 13 -1.657 5.339 3.946 1.00 0.00 C ATOM 212 C PRO A 13 -1.030 4.228 4.794 1.00 0.00 C ATOM 213 O PRO A 13 -0.196 4.485 5.642 1.00 0.00 O ATOM 214 CB PRO A 13 -1.635 4.985 2.461 1.00 0.00 C ATOM 215 CG PRO A 13 -0.372 5.584 1.920 1.00 0.00 C ATOM 216 CD PRO A 13 0.075 6.672 2.865 1.00 0.00 C ATOM 0 HA PRO A 13 -2.670 5.474 4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.650 3.905 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.510 5.387 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.401 4.821 1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.541 5.992 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.116 6.537 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.001 7.655 2.400 1.00 0.00 H new ATOM 224 N SER A 14 -1.423 2.999 4.573 1.00 0.00 N ATOM 225 CA SER A 14 -0.846 1.874 5.365 1.00 0.00 C ATOM 226 C SER A 14 -1.180 0.531 4.709 1.00 0.00 C ATOM 227 O SER A 14 -1.883 -0.288 5.270 1.00 0.00 O ATOM 228 CB SER A 14 -1.505 1.983 6.741 1.00 0.00 C ATOM 229 OG SER A 14 -0.937 1.013 7.612 1.00 0.00 O ATOM 0 H SER A 14 -2.119 2.727 3.878 1.00 0.00 H new ATOM 0 HA SER A 14 0.241 1.928 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.360 2.984 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.580 1.827 6.655 1.00 0.00 H new ATOM 0 HG SER A 14 -1.132 0.115 7.273 1.00 0.00 H new ATOM 235 N ALA A 15 -0.691 0.302 3.510 1.00 0.00 N ATOM 236 CA ALA A 15 -0.975 -0.980 2.780 1.00 0.00 C ATOM 237 C ALA A 15 -2.455 -1.049 2.403 1.00 0.00 C ATOM 238 O ALA A 15 -2.810 -0.859 1.256 1.00 0.00 O ATOM 239 CB ALA A 15 -0.584 -2.133 3.720 1.00 0.00 C ATOM 0 H ALA A 15 -0.099 0.958 3.000 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.404 -1.044 1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.775 -3.086 3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.475 -2.058 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.174 -2.073 4.634 1.00 0.00 H new ATOM 245 N PHE A 16 -3.321 -1.325 3.351 1.00 0.00 N ATOM 246 CA PHE A 16 -4.793 -1.413 3.050 1.00 0.00 C ATOM 247 C PHE A 16 -5.265 -0.218 2.209 1.00 0.00 C ATOM 248 O PHE A 16 -5.904 -0.383 1.187 1.00 0.00 O ATOM 249 CB PHE A 16 -5.471 -1.388 4.419 1.00 0.00 C ATOM 250 CG PHE A 16 -6.906 -1.837 4.284 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.205 -3.197 4.139 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.940 -0.891 4.305 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.536 -3.612 4.015 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.270 -1.307 4.182 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.569 -2.666 4.037 1.00 0.00 C ATOM 0 H PHE A 16 -3.073 -1.494 4.326 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.031 -2.308 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.939 -2.041 5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.432 -0.382 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.408 -3.926 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.710 0.158 4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.767 -4.661 3.902 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.067 -0.578 4.199 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.596 -2.986 3.942 1.00 0.00 H new ATOM 265 N PHE A 17 -4.942 0.979 2.631 1.00 0.00 N ATOM 266 CA PHE A 17 -5.361 2.189 1.856 1.00 0.00 C ATOM 267 C PHE A 17 -4.786 2.120 0.438 1.00 0.00 C ATOM 268 O PHE A 17 -5.439 2.474 -0.525 1.00 0.00 O ATOM 269 CB PHE A 17 -4.771 3.382 2.616 1.00 0.00 C ATOM 270 CG PHE A 17 -5.850 4.048 3.436 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.702 4.987 2.842 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.998 3.725 4.790 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.703 5.604 3.603 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.999 4.342 5.551 1.00 0.00 C ATOM 275 CZ PHE A 17 -7.851 5.281 4.958 1.00 0.00 C ATOM 0 H PHE A 17 -4.407 1.171 3.478 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.444 2.267 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.962 3.048 3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.342 4.096 1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.587 5.235 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.341 3.000 5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.360 6.328 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.114 4.093 6.596 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.623 5.757 5.545 1.00 0.00 H new ATOM 285 N LEU A 18 -3.565 1.664 0.309 1.00 0.00 N ATOM 286 CA LEU A 18 -2.934 1.564 -1.043 1.00 0.00 C ATOM 287 C LEU A 18 -3.673 0.522 -1.887 1.00 0.00 C ATOM 288 O LEU A 18 -3.840 0.680 -3.081 1.00 0.00 O ATOM 289 CB LEU A 18 -1.483 1.106 -0.805 1.00 0.00 C ATOM 290 CG LEU A 18 -0.760 2.017 0.204 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.700 1.582 0.311 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.812 3.478 -0.264 1.00 0.00 C ATOM 0 H LEU A 18 -2.977 1.356 1.083 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.973 2.516 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.480 0.080 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.941 1.107 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.253 1.935 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.219 2.223 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.747 0.548 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.177 1.665 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.297 4.110 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.325 3.567 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.851 3.796 -0.349 1.00 0.00 H new ATOM 304 N PHE A 19 -4.106 -0.547 -1.269 1.00 0.00 N ATOM 305 CA PHE A 19 -4.829 -1.620 -2.022 1.00 0.00 C ATOM 306 C PHE A 19 -6.275 -1.202 -2.303 1.00 0.00 C ATOM 307 O PHE A 19 -6.724 -1.218 -3.433 1.00 0.00 O ATOM 308 CB PHE A 19 -4.792 -2.841 -1.097 1.00 0.00 C ATOM 309 CG PHE A 19 -5.450 -4.021 -1.775 1.00 0.00 C ATOM 310 CD1 PHE A 19 -6.847 -4.107 -1.824 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.666 -5.027 -2.351 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.459 -5.200 -2.449 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.278 -6.120 -2.975 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.675 -6.206 -3.024 1.00 0.00 C ATOM 0 H PHE A 19 -3.990 -0.725 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.371 -1.822 -2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.760 -3.085 -0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.305 -2.615 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.452 -3.330 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.589 -4.960 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.536 -5.267 -2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.673 -6.897 -3.419 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.147 -7.049 -3.506 1.00 0.00 H new ATOM 324 N CYS A 20 -7.007 -0.833 -1.282 1.00 0.00 N ATOM 325 CA CYS A 20 -8.434 -0.419 -1.481 1.00 0.00 C ATOM 326 C CYS A 20 -8.528 0.740 -2.481 1.00 0.00 C ATOM 327 O CYS A 20 -9.265 0.678 -3.447 1.00 0.00 O ATOM 328 CB CYS A 20 -8.919 0.027 -0.100 1.00 0.00 C ATOM 329 SG CYS A 20 -10.723 0.178 -0.114 1.00 0.00 S ATOM 0 H CYS A 20 -6.679 -0.800 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.038 -1.231 -1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.610 -0.694 0.656 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.465 0.982 0.166 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.136 0.555 1.060 1.00 0.00 H new ATOM 335 N SER A 21 -7.791 1.796 -2.248 1.00 0.00 N ATOM 336 CA SER A 21 -7.837 2.969 -3.178 1.00 0.00 C ATOM 337 C SER A 21 -7.467 2.549 -4.605 1.00 0.00 C ATOM 338 O SER A 21 -7.856 3.186 -5.566 1.00 0.00 O ATOM 339 CB SER A 21 -6.803 3.955 -2.631 1.00 0.00 C ATOM 340 OG SER A 21 -5.499 3.425 -2.826 1.00 0.00 O ATOM 0 H SER A 21 -7.159 1.898 -1.454 1.00 0.00 H new ATOM 0 HA SER A 21 -8.835 3.404 -3.228 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.897 4.916 -3.137 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.980 4.134 -1.571 1.00 0.00 H new ATOM 0 HG SER A 21 -5.183 3.019 -1.992 1.00 0.00 H new ATOM 346 N GLU A 22 -6.710 1.489 -4.750 1.00 0.00 N ATOM 347 CA GLU A 22 -6.302 1.036 -6.114 1.00 0.00 C ATOM 348 C GLU A 22 -7.227 -0.073 -6.628 1.00 0.00 C ATOM 349 O GLU A 22 -7.380 -0.254 -7.821 1.00 0.00 O ATOM 350 CB GLU A 22 -4.882 0.505 -5.942 1.00 0.00 C ATOM 351 CG GLU A 22 -3.888 1.666 -5.999 1.00 0.00 C ATOM 352 CD GLU A 22 -3.896 2.280 -7.401 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.517 1.588 -8.331 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.282 3.431 -7.519 1.00 0.00 O ATOM 0 H GLU A 22 -6.357 0.918 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.359 1.846 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.792 -0.018 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.656 -0.219 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.152 2.421 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.887 1.313 -5.751 1.00 0.00 H new ATOM 361 N TYR A 23 -7.833 -0.824 -5.742 1.00 0.00 N ATOM 362 CA TYR A 23 -8.734 -1.932 -6.186 1.00 0.00 C ATOM 363 C TYR A 23 -10.168 -1.428 -6.380 1.00 0.00 C ATOM 364 O TYR A 23 -10.875 -1.889 -7.254 1.00 0.00 O ATOM 365 CB TYR A 23 -8.675 -2.967 -5.060 1.00 0.00 C ATOM 366 CG TYR A 23 -7.598 -3.981 -5.368 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.249 -3.612 -5.303 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.949 -5.289 -5.722 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.251 -4.550 -5.592 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.951 -6.228 -6.010 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.602 -5.859 -5.946 1.00 0.00 C ATOM 372 OH TYR A 23 -4.618 -6.784 -6.231 1.00 0.00 O ATOM 0 H TYR A 23 -7.743 -0.718 -4.732 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.422 -2.348 -7.144 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.466 -2.476 -4.110 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.640 -3.464 -4.957 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.978 -2.603 -5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.989 -5.574 -5.773 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.211 -4.265 -5.542 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.222 -7.238 -6.282 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.032 -7.643 -6.457 1.00 0.00 H new ATOM 382 N ARG A 24 -10.605 -0.492 -5.572 1.00 0.00 N ATOM 383 CA ARG A 24 -11.998 0.043 -5.703 1.00 0.00 C ATOM 384 C ARG A 24 -12.345 0.407 -7.159 1.00 0.00 C ATOM 385 O ARG A 24 -13.346 -0.061 -7.658 1.00 0.00 O ATOM 386 CB ARG A 24 -12.046 1.286 -4.822 1.00 0.00 C ATOM 387 CG ARG A 24 -12.144 0.868 -3.353 1.00 0.00 C ATOM 388 CD ARG A 24 -11.893 2.083 -2.455 1.00 0.00 C ATOM 389 NE ARG A 24 -12.864 1.947 -1.330 1.00 0.00 N ATOM 390 CZ ARG A 24 -12.940 2.879 -0.420 1.00 0.00 C ATOM 391 NH1 ARG A 24 -11.853 3.345 0.129 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.105 3.346 -0.059 1.00 0.00 N ATOM 0 H ARG A 24 -10.054 -0.073 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.727 -0.709 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.153 1.891 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.902 1.904 -5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.129 0.449 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.415 0.087 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.866 2.097 -2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.050 3.014 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.467 1.127 -1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.943 2.981 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.913 4.074 0.840 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.956 2.982 -0.488 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.164 4.075 0.652 1.00 0.00 H new ATOM 406 N PRO A 25 -11.519 1.215 -7.810 1.00 0.00 N ATOM 407 CA PRO A 25 -11.803 1.602 -9.225 1.00 0.00 C ATOM 408 C PRO A 25 -11.862 0.359 -10.111 1.00 0.00 C ATOM 409 O PRO A 25 -12.562 0.330 -11.105 1.00 0.00 O ATOM 410 CB PRO A 25 -10.639 2.526 -9.587 1.00 0.00 C ATOM 411 CG PRO A 25 -9.559 2.154 -8.630 1.00 0.00 C ATOM 412 CD PRO A 25 -10.262 1.822 -7.341 1.00 0.00 C ATOM 0 HA PRO A 25 -12.765 2.096 -9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.322 2.380 -10.620 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.917 3.575 -9.484 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.987 1.302 -8.996 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.855 2.975 -8.493 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.682 1.132 -6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.442 2.711 -6.736 1.00 0.00 H new ATOM 420 N LYS A 26 -11.163 -0.678 -9.734 1.00 0.00 N ATOM 421 CA LYS A 26 -11.210 -1.941 -10.526 1.00 0.00 C ATOM 422 C LYS A 26 -12.591 -2.566 -10.351 1.00 0.00 C ATOM 423 O LYS A 26 -13.226 -2.992 -11.296 1.00 0.00 O ATOM 424 CB LYS A 26 -10.151 -2.844 -9.904 1.00 0.00 C ATOM 425 CG LYS A 26 -9.819 -3.987 -10.866 1.00 0.00 C ATOM 426 CD LYS A 26 -10.895 -5.071 -10.761 1.00 0.00 C ATOM 427 CE LYS A 26 -10.370 -6.372 -11.374 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.543 -7.288 -11.388 1.00 0.00 N ATOM 0 H LYS A 26 -10.561 -0.705 -8.911 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.030 -1.784 -11.589 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.252 -2.268 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.512 -3.246 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.764 -3.612 -11.888 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.841 -4.406 -10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.164 -5.231 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.800 -4.752 -11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.985 -6.208 -12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.553 -6.786 -10.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.264 -8.203 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.884 -7.431 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.302 -6.871 -11.963 1.00 0.00 H new ATOM 442 N ILE A 27 -13.051 -2.614 -9.127 1.00 0.00 N ATOM 443 CA ILE A 27 -14.394 -3.202 -8.834 1.00 0.00 C ATOM 444 C ILE A 27 -15.478 -2.466 -9.624 1.00 0.00 C ATOM 445 O ILE A 27 -16.495 -3.031 -9.966 1.00 0.00 O ATOM 446 CB ILE A 27 -14.624 -2.963 -7.326 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.539 -3.652 -6.485 1.00 0.00 C ATOM 448 CG2 ILE A 27 -15.998 -3.506 -6.916 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.510 -5.151 -6.779 1.00 0.00 C ATOM 0 H ILE A 27 -12.549 -2.268 -8.310 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.436 -4.257 -9.105 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.578 -1.889 -7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.566 -3.213 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.731 -3.486 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.154 -3.334 -5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.775 -2.995 -7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.043 -4.576 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.736 -5.625 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.478 -5.588 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.295 -5.310 -7.836 1.00 0.00 H new ATOM 461 N LYS A 28 -15.281 -1.199 -9.865 1.00 0.00 N ATOM 462 CA LYS A 28 -16.325 -0.403 -10.578 1.00 0.00 C ATOM 463 C LYS A 28 -16.392 -0.809 -12.053 1.00 0.00 C ATOM 464 O LYS A 28 -17.455 -0.839 -12.646 1.00 0.00 O ATOM 465 CB LYS A 28 -15.937 1.091 -10.443 1.00 0.00 C ATOM 466 CG LYS A 28 -15.334 1.461 -9.063 1.00 0.00 C ATOM 467 CD LYS A 28 -16.013 0.739 -7.882 1.00 0.00 C ATOM 468 CE LYS A 28 -17.525 0.982 -7.914 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.703 2.365 -7.392 1.00 0.00 N ATOM 0 H LYS A 28 -14.444 -0.679 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.309 -0.584 -10.145 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.217 1.341 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.822 1.703 -10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.271 1.220 -9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.417 2.538 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.808 -0.330 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.599 1.098 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.919 0.888 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.055 0.256 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.438 2.367 -6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.806 2.701 -6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.989 2.995 -8.169 1.00 0.00 H new ATOM 483 N SER A 29 -15.270 -1.117 -12.650 1.00 0.00 N ATOM 484 CA SER A 29 -15.268 -1.517 -14.093 1.00 0.00 C ATOM 485 C SER A 29 -16.067 -2.810 -14.301 1.00 0.00 C ATOM 486 O SER A 29 -16.538 -3.083 -15.390 1.00 0.00 O ATOM 487 CB SER A 29 -13.797 -1.738 -14.447 1.00 0.00 C ATOM 488 OG SER A 29 -13.692 -2.090 -15.820 1.00 0.00 O ATOM 0 H SER A 29 -14.354 -1.109 -12.202 1.00 0.00 H new ATOM 0 HA SER A 29 -15.732 -0.757 -14.722 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.223 -0.833 -14.247 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.376 -2.527 -13.824 1.00 0.00 H new ATOM 0 HG SER A 29 -12.750 -2.231 -16.050 1.00 0.00 H new ATOM 494 N GLU A 30 -16.215 -3.608 -13.273 1.00 0.00 N ATOM 495 CA GLU A 30 -16.975 -4.889 -13.416 1.00 0.00 C ATOM 496 C GLU A 30 -18.225 -4.893 -12.525 1.00 0.00 C ATOM 497 O GLU A 30 -19.142 -5.663 -12.744 1.00 0.00 O ATOM 498 CB GLU A 30 -15.994 -5.974 -12.967 1.00 0.00 C ATOM 499 CG GLU A 30 -15.351 -6.628 -14.191 1.00 0.00 C ATOM 500 CD GLU A 30 -16.316 -7.653 -14.789 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.179 -7.251 -15.551 1.00 0.00 O ATOM 502 OE2 GLU A 30 -16.175 -8.824 -14.475 1.00 0.00 O ATOM 0 H GLU A 30 -15.843 -3.428 -12.341 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.327 -5.041 -14.436 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.224 -5.540 -12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.515 -6.725 -12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.104 -5.870 -14.934 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.417 -7.114 -13.908 1.00 0.00 H new ATOM 509 N HIS A 31 -18.273 -4.041 -11.533 1.00 0.00 N ATOM 510 CA HIS A 31 -19.471 -3.999 -10.638 1.00 0.00 C ATOM 511 C HIS A 31 -20.066 -2.582 -10.636 1.00 0.00 C ATOM 512 O HIS A 31 -19.610 -1.728 -9.904 1.00 0.00 O ATOM 513 CB HIS A 31 -18.974 -4.370 -9.233 1.00 0.00 C ATOM 514 CG HIS A 31 -18.224 -5.676 -9.269 1.00 0.00 C ATOM 515 ND1 HIS A 31 -16.843 -5.730 -9.369 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.647 -6.982 -9.216 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.487 -7.027 -9.372 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.548 -7.832 -9.281 1.00 0.00 N ATOM 0 H HIS A 31 -17.537 -3.374 -11.304 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.248 -4.686 -10.973 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.326 -3.582 -8.850 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.820 -4.448 -8.550 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.211 -4.931 -9.429 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.676 -7.300 -9.136 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.467 -7.375 -9.440 1.00 0.00 H new ATOM 526 N PRO A 32 -21.068 -2.370 -11.462 1.00 0.00 N ATOM 527 CA PRO A 32 -21.706 -1.033 -11.537 1.00 0.00 C ATOM 528 C PRO A 32 -22.591 -0.799 -10.315 1.00 0.00 C ATOM 529 O PRO A 32 -22.673 0.299 -9.797 1.00 0.00 O ATOM 530 CB PRO A 32 -22.540 -1.101 -12.813 1.00 0.00 C ATOM 531 CG PRO A 32 -22.814 -2.555 -13.033 1.00 0.00 C ATOM 532 CD PRO A 32 -21.697 -3.331 -12.386 1.00 0.00 C ATOM 0 HA PRO A 32 -20.987 -0.214 -11.552 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.467 -0.538 -12.706 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.002 -0.671 -13.657 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.775 -2.834 -12.600 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -22.868 -2.778 -14.099 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.076 -4.204 -11.854 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -20.985 -3.694 -13.127 1.00 0.00 H new ATOM 540 N GLY A 33 -23.249 -1.827 -9.851 1.00 0.00 N ATOM 541 CA GLY A 33 -24.130 -1.684 -8.658 1.00 0.00 C ATOM 542 C GLY A 33 -23.281 -1.568 -7.383 1.00 0.00 C ATOM 543 O GLY A 33 -23.771 -1.163 -6.350 1.00 0.00 O ATOM 0 H GLY A 33 -23.213 -2.765 -10.250 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.760 -0.801 -8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.796 -2.544 -8.583 1.00 0.00 H new ATOM 547 N LEU A 34 -22.022 -1.940 -7.447 1.00 0.00 N ATOM 548 CA LEU A 34 -21.132 -1.869 -6.236 1.00 0.00 C ATOM 549 C LEU A 34 -21.026 -0.430 -5.703 1.00 0.00 C ATOM 550 O LEU A 34 -20.061 0.265 -5.958 1.00 0.00 O ATOM 551 CB LEU A 34 -19.755 -2.365 -6.723 1.00 0.00 C ATOM 552 CG LEU A 34 -19.369 -3.686 -6.032 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.108 -3.430 -4.549 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.492 -4.724 -6.186 1.00 0.00 C ATOM 0 H LEU A 34 -21.569 -2.292 -8.290 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.524 -2.470 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.777 -2.508 -7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.998 -1.608 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.466 -4.076 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.835 -4.366 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.294 -2.713 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.009 -3.028 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.201 -5.651 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.406 -4.341 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.666 -4.917 -7.245 1.00 0.00 H new ATOM 566 N SER A 35 -22.009 0.016 -4.962 1.00 0.00 N ATOM 567 CA SER A 35 -21.968 1.403 -4.404 1.00 0.00 C ATOM 568 C SER A 35 -20.972 1.458 -3.243 1.00 0.00 C ATOM 569 O SER A 35 -20.454 0.442 -2.820 1.00 0.00 O ATOM 570 CB SER A 35 -23.388 1.680 -3.908 1.00 0.00 C ATOM 571 OG SER A 35 -23.746 0.702 -2.941 1.00 0.00 O ATOM 0 H SER A 35 -22.841 -0.522 -4.719 1.00 0.00 H new ATOM 0 HA SER A 35 -21.651 2.141 -5.141 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.445 2.677 -3.472 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.088 1.656 -4.743 1.00 0.00 H new ATOM 0 HG SER A 35 -24.655 0.877 -2.619 1.00 0.00 H new ATOM 577 N ILE A 36 -20.700 2.632 -2.720 1.00 0.00 N ATOM 578 CA ILE A 36 -19.728 2.746 -1.580 1.00 0.00 C ATOM 579 C ILE A 36 -20.112 1.780 -0.451 1.00 0.00 C ATOM 580 O ILE A 36 -19.264 1.289 0.271 1.00 0.00 O ATOM 581 CB ILE A 36 -19.824 4.203 -1.101 1.00 0.00 C ATOM 582 CG1 ILE A 36 -19.350 5.156 -2.213 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.951 4.397 0.148 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.896 4.850 -2.594 1.00 0.00 C ATOM 0 H ILE A 36 -21.107 3.514 -3.031 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.714 2.489 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.862 4.427 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.992 5.052 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -19.435 6.189 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.022 5.431 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.297 3.733 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.914 4.164 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -17.575 5.532 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.256 4.977 -1.721 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.822 3.823 -2.951 1.00 0.00 H new ATOM 596 N GLY A 37 -21.382 1.503 -0.302 1.00 0.00 N ATOM 597 CA GLY A 37 -21.827 0.568 0.771 1.00 0.00 C ATOM 598 C GLY A 37 -21.180 -0.800 0.551 1.00 0.00 C ATOM 599 O GLY A 37 -20.327 -1.219 1.308 1.00 0.00 O ATOM 0 H GLY A 37 -22.131 1.886 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.550 0.961 1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.913 0.475 0.761 1.00 0.00 H new ATOM 603 N ASP A 38 -21.574 -1.488 -0.487 1.00 0.00 N ATOM 604 CA ASP A 38 -20.982 -2.831 -0.769 1.00 0.00 C ATOM 605 C ASP A 38 -19.509 -2.699 -1.170 1.00 0.00 C ATOM 606 O ASP A 38 -18.720 -3.588 -0.933 1.00 0.00 O ATOM 607 CB ASP A 38 -21.804 -3.395 -1.933 1.00 0.00 C ATOM 608 CG ASP A 38 -22.962 -4.229 -1.383 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.821 -3.658 -0.731 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.971 -5.425 -1.624 1.00 0.00 O ATOM 0 H ASP A 38 -22.281 -1.179 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.012 -3.480 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.188 -2.582 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.172 -4.009 -2.574 1.00 0.00 H new ATOM 615 N THR A 39 -19.130 -1.592 -1.757 1.00 0.00 N ATOM 616 CA THR A 39 -17.701 -1.404 -2.162 1.00 0.00 C ATOM 617 C THR A 39 -16.810 -1.325 -0.919 1.00 0.00 C ATOM 618 O THR A 39 -15.655 -1.705 -0.950 1.00 0.00 O ATOM 619 CB THR A 39 -17.665 -0.088 -2.951 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.464 -0.222 -4.118 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.225 0.236 -3.363 1.00 0.00 C ATOM 0 H THR A 39 -19.747 -0.810 -1.974 1.00 0.00 H new ATOM 0 HA THR A 39 -17.331 -2.234 -2.764 1.00 0.00 H new ATOM 0 HB THR A 39 -18.050 0.717 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.410 -0.260 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.208 1.171 -3.922 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.605 0.335 -2.472 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.836 -0.568 -3.988 1.00 0.00 H new ATOM 629 N ALA A 40 -17.342 -0.838 0.172 1.00 0.00 N ATOM 630 CA ALA A 40 -16.529 -0.736 1.421 1.00 0.00 C ATOM 631 C ALA A 40 -16.373 -2.121 2.055 1.00 0.00 C ATOM 632 O ALA A 40 -15.293 -2.508 2.460 1.00 0.00 O ATOM 633 CB ALA A 40 -17.322 0.191 2.343 1.00 0.00 C ATOM 0 H ALA A 40 -18.303 -0.507 0.252 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.526 -0.353 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.786 0.314 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.444 1.163 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.303 -0.242 2.539 1.00 0.00 H new ATOM 639 N LYS A 41 -17.447 -2.861 2.152 1.00 0.00 N ATOM 640 CA LYS A 41 -17.375 -4.220 2.771 1.00 0.00 C ATOM 641 C LYS A 41 -16.923 -5.286 1.757 1.00 0.00 C ATOM 642 O LYS A 41 -16.579 -6.390 2.137 1.00 0.00 O ATOM 643 CB LYS A 41 -18.791 -4.514 3.291 1.00 0.00 C ATOM 644 CG LYS A 41 -19.788 -4.619 2.130 1.00 0.00 C ATOM 645 CD LYS A 41 -21.208 -4.373 2.650 1.00 0.00 C ATOM 646 CE LYS A 41 -21.335 -2.936 3.179 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.811 -3.080 4.584 1.00 0.00 N ATOM 0 H LYS A 41 -18.373 -2.583 1.829 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.637 -4.247 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.789 -5.444 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -19.104 -3.724 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.541 -3.890 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.724 -5.605 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.930 -4.540 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.441 -5.083 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.378 -2.415 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.039 -2.357 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.921 -2.138 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.727 -3.573 4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.118 -3.629 5.131 1.00 0.00 H new ATOM 661 N LYS A 42 -16.912 -4.976 0.479 1.00 0.00 N ATOM 662 CA LYS A 42 -16.472 -5.991 -0.533 1.00 0.00 C ATOM 663 C LYS A 42 -14.943 -6.096 -0.533 1.00 0.00 C ATOM 664 O LYS A 42 -14.388 -7.150 -0.287 1.00 0.00 O ATOM 665 CB LYS A 42 -16.985 -5.472 -1.884 1.00 0.00 C ATOM 666 CG LYS A 42 -16.543 -6.407 -3.015 1.00 0.00 C ATOM 667 CD LYS A 42 -17.275 -7.748 -2.899 1.00 0.00 C ATOM 668 CE LYS A 42 -18.439 -7.782 -3.889 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.494 -9.192 -4.372 1.00 0.00 N ATOM 0 H LYS A 42 -17.187 -4.071 0.096 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.861 -6.986 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.073 -5.402 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.604 -4.467 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.756 -5.949 -3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.466 -6.566 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.587 -8.569 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.644 -7.886 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.374 -7.492 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.276 -7.088 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.270 -9.294 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.593 -9.437 -4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.657 -9.829 -3.566 1.00 0.00 H new ATOM 683 N LEU A 43 -14.259 -5.011 -0.809 1.00 0.00 N ATOM 684 CA LEU A 43 -12.759 -5.042 -0.831 1.00 0.00 C ATOM 685 C LEU A 43 -12.212 -5.616 0.483 1.00 0.00 C ATOM 686 O LEU A 43 -11.152 -6.212 0.514 1.00 0.00 O ATOM 687 CB LEU A 43 -12.326 -3.583 -0.997 1.00 0.00 C ATOM 688 CG LEU A 43 -12.394 -3.189 -2.479 1.00 0.00 C ATOM 689 CD1 LEU A 43 -13.656 -2.362 -2.734 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.162 -2.360 -2.849 1.00 0.00 C ATOM 0 H LEU A 43 -14.674 -4.104 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.379 -5.674 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.972 -2.932 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.312 -3.450 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.421 -4.092 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.702 -2.084 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.536 -2.952 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.631 -1.461 -2.121 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.213 -2.082 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.133 -1.459 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.261 -2.948 -2.673 1.00 0.00 H new ATOM 702 N GLY A 44 -12.936 -5.444 1.560 1.00 0.00 N ATOM 703 CA GLY A 44 -12.473 -5.982 2.872 1.00 0.00 C ATOM 704 C GLY A 44 -12.589 -7.507 2.857 1.00 0.00 C ATOM 705 O GLY A 44 -11.694 -8.210 3.284 1.00 0.00 O ATOM 0 H GLY A 44 -13.830 -4.953 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.441 -5.685 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.074 -5.567 3.682 1.00 0.00 H new ATOM 709 N GLU A 45 -13.691 -8.020 2.367 1.00 0.00 N ATOM 710 CA GLU A 45 -13.883 -9.506 2.318 1.00 0.00 C ATOM 711 C GLU A 45 -12.726 -10.173 1.566 1.00 0.00 C ATOM 712 O GLU A 45 -12.320 -11.275 1.888 1.00 0.00 O ATOM 713 CB GLU A 45 -15.197 -9.716 1.563 1.00 0.00 C ATOM 714 CG GLU A 45 -16.357 -9.769 2.558 1.00 0.00 C ATOM 715 CD GLU A 45 -16.386 -11.139 3.239 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.004 -12.038 2.692 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.790 -11.266 4.296 1.00 0.00 O ATOM 0 H GLU A 45 -14.469 -7.473 1.997 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.908 -9.945 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.352 -8.906 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.154 -10.642 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.245 -8.983 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.300 -9.588 2.043 1.00 0.00 H new ATOM 724 N MET A 46 -12.191 -9.507 0.574 1.00 0.00 N ATOM 725 CA MET A 46 -11.052 -10.091 -0.195 1.00 0.00 C ATOM 726 C MET A 46 -9.765 -9.963 0.620 1.00 0.00 C ATOM 727 O MET A 46 -9.028 -10.915 0.792 1.00 0.00 O ATOM 728 CB MET A 46 -10.963 -9.259 -1.477 1.00 0.00 C ATOM 729 CG MET A 46 -12.241 -9.448 -2.296 1.00 0.00 C ATOM 730 SD MET A 46 -12.207 -11.068 -3.103 1.00 0.00 S ATOM 731 CE MET A 46 -11.355 -10.551 -4.614 1.00 0.00 C ATOM 0 H MET A 46 -12.494 -8.584 0.264 1.00 0.00 H new ATOM 0 HA MET A 46 -11.195 -11.149 -0.414 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.828 -8.206 -1.231 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.095 -9.564 -2.062 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.115 -9.370 -1.649 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.327 -8.659 -3.043 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.225 -11.411 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.947 -9.791 -5.124 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.379 -10.139 -4.358 1.00 0.00 H new ATOM 741 N TRP A 47 -9.492 -8.784 1.124 1.00 0.00 N ATOM 742 CA TRP A 47 -8.251 -8.564 1.937 1.00 0.00 C ATOM 743 C TRP A 47 -8.121 -9.625 3.039 1.00 0.00 C ATOM 744 O TRP A 47 -7.103 -10.280 3.161 1.00 0.00 O ATOM 745 CB TRP A 47 -8.421 -7.174 2.556 1.00 0.00 C ATOM 746 CG TRP A 47 -7.144 -6.761 3.214 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.944 -6.701 4.551 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.892 -6.349 2.595 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.649 -6.278 4.791 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.961 -6.048 3.616 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.477 -6.208 1.258 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.664 -5.623 3.322 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.174 -5.780 0.958 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.269 -5.488 1.988 1.00 0.00 C ATOM 0 H TRP A 47 -10.079 -7.958 1.007 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.351 -8.638 1.326 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.696 -6.453 1.786 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.231 -7.186 3.285 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.676 -6.944 5.307 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.251 -6.152 5.722 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.166 -6.431 0.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.971 -5.400 4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.867 -5.675 -0.072 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.268 -5.159 1.751 1.00 0.00 H new ATOM 765 N SER A 48 -9.143 -9.794 3.841 1.00 0.00 N ATOM 766 CA SER A 48 -9.079 -10.811 4.938 1.00 0.00 C ATOM 767 C SER A 48 -8.921 -12.214 4.347 1.00 0.00 C ATOM 768 O SER A 48 -8.261 -13.064 4.914 1.00 0.00 O ATOM 769 CB SER A 48 -10.410 -10.690 5.680 1.00 0.00 C ATOM 770 OG SER A 48 -10.358 -11.470 6.867 1.00 0.00 O ATOM 0 H SER A 48 -10.018 -9.273 3.784 1.00 0.00 H new ATOM 0 HA SER A 48 -8.230 -10.645 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.610 -9.647 5.925 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.227 -11.030 5.043 1.00 0.00 H new ATOM 0 HG SER A 48 -11.209 -11.394 7.346 1.00 0.00 H new ATOM 776 N GLU A 49 -9.523 -12.459 3.211 1.00 0.00 N ATOM 777 CA GLU A 49 -9.412 -13.807 2.574 1.00 0.00 C ATOM 778 C GLU A 49 -7.958 -14.089 2.187 1.00 0.00 C ATOM 779 O GLU A 49 -7.471 -15.194 2.336 1.00 0.00 O ATOM 780 CB GLU A 49 -10.295 -13.737 1.326 1.00 0.00 C ATOM 781 CG GLU A 49 -11.697 -14.250 1.662 1.00 0.00 C ATOM 782 CD GLU A 49 -11.686 -15.780 1.700 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.575 -16.379 0.643 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.789 -16.326 2.787 1.00 0.00 O ATOM 0 H GLU A 49 -10.087 -11.783 2.696 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.725 -14.606 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.349 -12.711 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.860 -14.335 0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.019 -13.854 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.412 -13.899 0.918 1.00 0.00 H new ATOM 791 N GLN A 50 -7.265 -13.095 1.691 1.00 0.00 N ATOM 792 CA GLN A 50 -5.836 -13.291 1.287 1.00 0.00 C ATOM 793 C GLN A 50 -5.005 -13.792 2.472 1.00 0.00 C ATOM 794 O GLN A 50 -5.362 -13.601 3.619 1.00 0.00 O ATOM 795 CB GLN A 50 -5.349 -11.910 0.844 1.00 0.00 C ATOM 796 CG GLN A 50 -6.093 -11.491 -0.427 1.00 0.00 C ATOM 797 CD GLN A 50 -5.477 -12.199 -1.635 1.00 0.00 C ATOM 798 OE1 GLN A 50 -5.728 -13.366 -1.862 1.00 0.00 O ATOM 799 NE2 GLN A 50 -4.679 -11.537 -2.427 1.00 0.00 N ATOM 0 H GLN A 50 -7.627 -12.152 1.547 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.738 -14.033 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.520 -11.181 1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.275 -11.933 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.150 -11.745 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.034 -10.410 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.468 -10.557 -2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.266 -11.999 -3.237 1.00 0.00 H new ATOM 808 N SER A 51 -3.896 -14.425 2.193 1.00 0.00 N ATOM 809 CA SER A 51 -3.022 -14.939 3.288 1.00 0.00 C ATOM 810 C SER A 51 -2.029 -13.845 3.700 1.00 0.00 C ATOM 811 O SER A 51 -2.332 -12.669 3.616 1.00 0.00 O ATOM 812 CB SER A 51 -2.303 -16.143 2.676 1.00 0.00 C ATOM 813 OG SER A 51 -1.604 -16.841 3.699 1.00 0.00 O ATOM 0 H SER A 51 -3.557 -14.609 1.249 1.00 0.00 H new ATOM 0 HA SER A 51 -3.573 -15.220 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.023 -16.805 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.608 -15.813 1.904 1.00 0.00 H new ATOM 0 HG SER A 51 -1.143 -17.614 3.311 1.00 0.00 H new ATOM 819 N ALA A 52 -0.848 -14.212 4.138 1.00 0.00 N ATOM 820 CA ALA A 52 0.154 -13.183 4.545 1.00 0.00 C ATOM 821 C ALA A 52 1.009 -12.769 3.341 1.00 0.00 C ATOM 822 O ALA A 52 2.222 -12.709 3.426 1.00 0.00 O ATOM 823 CB ALA A 52 1.017 -13.867 5.606 1.00 0.00 C ATOM 0 H ALA A 52 -0.537 -15.179 4.230 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.317 -12.277 4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.781 -13.173 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.390 -14.171 6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.496 -14.746 5.174 1.00 0.00 H new ATOM 829 N LYS A 53 0.386 -12.482 2.223 1.00 0.00 N ATOM 830 CA LYS A 53 1.160 -12.072 1.013 1.00 0.00 C ATOM 831 C LYS A 53 0.620 -10.747 0.467 1.00 0.00 C ATOM 832 O LYS A 53 1.370 -9.872 0.083 1.00 0.00 O ATOM 833 CB LYS A 53 0.938 -13.197 0.002 1.00 0.00 C ATOM 834 CG LYS A 53 1.849 -14.377 0.342 1.00 0.00 C ATOM 835 CD LYS A 53 2.001 -15.276 -0.886 1.00 0.00 C ATOM 836 CE LYS A 53 3.207 -16.199 -0.698 1.00 0.00 C ATOM 837 NZ LYS A 53 2.763 -17.212 0.299 1.00 0.00 N ATOM 0 H LYS A 53 -0.626 -12.515 2.098 1.00 0.00 H new ATOM 0 HA LYS A 53 2.218 -11.921 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.105 -13.513 0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.148 -12.841 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.826 -14.015 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.430 -14.946 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.097 -15.867 -1.031 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.131 -14.668 -1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.495 -16.670 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.075 -15.646 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.380 -17.169 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.782 -17.014 0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.817 -18.161 -0.123 1.00 0.00 H new ATOM 851 N ASP A 54 -0.680 -10.599 0.424 1.00 0.00 N ATOM 852 CA ASP A 54 -1.284 -9.333 -0.104 1.00 0.00 C ATOM 853 C ASP A 54 -0.734 -8.110 0.643 1.00 0.00 C ATOM 854 O ASP A 54 -0.700 -7.017 0.110 1.00 0.00 O ATOM 855 CB ASP A 54 -2.794 -9.474 0.130 1.00 0.00 C ATOM 856 CG ASP A 54 -3.076 -9.676 1.622 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.613 -10.667 2.162 1.00 0.00 O ATOM 858 OD2 ASP A 54 -3.749 -8.837 2.196 1.00 0.00 O ATOM 0 H ASP A 54 -1.353 -11.301 0.732 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.047 -9.184 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.311 -8.584 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.181 -10.319 -0.439 1.00 0.00 H new ATOM 863 N LYS A 55 -0.311 -8.285 1.872 1.00 0.00 N ATOM 864 CA LYS A 55 0.228 -7.130 2.651 1.00 0.00 C ATOM 865 C LYS A 55 1.750 -7.231 2.799 1.00 0.00 C ATOM 866 O LYS A 55 2.314 -6.730 3.750 1.00 0.00 O ATOM 867 CB LYS A 55 -0.445 -7.221 4.021 1.00 0.00 C ATOM 868 CG LYS A 55 -0.334 -5.873 4.738 1.00 0.00 C ATOM 869 CD LYS A 55 -0.778 -6.031 6.193 1.00 0.00 C ATOM 870 CE LYS A 55 -0.810 -4.659 6.870 1.00 0.00 C ATOM 871 NZ LYS A 55 0.611 -4.366 7.210 1.00 0.00 N ATOM 0 H LYS A 55 -0.316 -9.177 2.367 1.00 0.00 H new ATOM 0 HA LYS A 55 0.025 -6.181 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.493 -7.497 3.905 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.026 -8.002 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.693 -5.511 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.954 -5.130 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.765 -6.492 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.094 -6.694 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.222 -3.900 6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.435 -4.673 7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.738 -4.411 8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.229 -5.068 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.860 -3.414 6.872 1.00 0.00 H new ATOM 885 N GLN A 56 2.416 -7.882 1.877 1.00 0.00 N ATOM 886 CA GLN A 56 3.904 -8.008 1.981 1.00 0.00 C ATOM 887 C GLN A 56 4.610 -6.982 1.070 1.00 0.00 C ATOM 888 O GLN A 56 5.427 -6.221 1.547 1.00 0.00 O ATOM 889 CB GLN A 56 4.229 -9.443 1.552 1.00 0.00 C ATOM 890 CG GLN A 56 4.501 -10.304 2.789 1.00 0.00 C ATOM 891 CD GLN A 56 5.920 -10.036 3.295 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.883 -10.489 2.709 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.091 -9.314 4.369 1.00 0.00 N ATOM 0 H GLN A 56 1.997 -8.329 1.061 1.00 0.00 H new ATOM 0 HA GLN A 56 4.254 -7.806 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.398 -9.860 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.099 -9.448 0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.776 -10.076 3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.384 -11.360 2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.283 -8.933 4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.033 -9.131 4.716 1.00 0.00 H new ATOM 902 N PRO A 57 4.292 -6.983 -0.213 1.00 0.00 N ATOM 903 CA PRO A 57 4.940 -6.024 -1.139 1.00 0.00 C ATOM 904 C PRO A 57 4.230 -4.665 -1.096 1.00 0.00 C ATOM 905 O PRO A 57 4.856 -3.627 -1.195 1.00 0.00 O ATOM 906 CB PRO A 57 4.763 -6.668 -2.505 1.00 0.00 C ATOM 907 CG PRO A 57 3.550 -7.532 -2.381 1.00 0.00 C ATOM 908 CD PRO A 57 3.337 -7.850 -0.920 1.00 0.00 C ATOM 0 HA PRO A 57 5.983 -5.835 -0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.631 -5.914 -3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.639 -7.257 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.678 -7.021 -2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.679 -8.450 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.311 -7.644 -0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.526 -8.903 -0.711 1.00 0.00 H new ATOM 916 N TYR A 58 2.928 -4.669 -0.967 1.00 0.00 N ATOM 917 CA TYR A 58 2.164 -3.381 -0.935 1.00 0.00 C ATOM 918 C TYR A 58 2.216 -2.726 0.458 1.00 0.00 C ATOM 919 O TYR A 58 1.577 -1.717 0.687 1.00 0.00 O ATOM 920 CB TYR A 58 0.719 -3.766 -1.295 1.00 0.00 C ATOM 921 CG TYR A 58 0.303 -3.069 -2.571 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.015 -1.707 -2.552 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.238 -3.787 -3.771 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.399 -1.061 -3.733 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.147 -3.141 -4.952 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.465 -1.778 -4.933 1.00 0.00 C ATOM 927 OH TYR A 58 -0.843 -1.141 -6.098 1.00 0.00 O ATOM 0 H TYR A 58 2.358 -5.510 -0.882 1.00 0.00 H new ATOM 0 HA TYR A 58 2.585 -2.651 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.641 -4.846 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.047 -3.489 -0.483 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.036 -1.154 -1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.485 -4.838 -3.786 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.644 -0.009 -3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.199 -3.695 -5.878 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.836 -1.783 -6.839 1.00 0.00 H new ATOM 937 N GLU A 59 2.965 -3.281 1.383 1.00 0.00 N ATOM 938 CA GLU A 59 3.044 -2.672 2.745 1.00 0.00 C ATOM 939 C GLU A 59 4.294 -1.783 2.868 1.00 0.00 C ATOM 940 O GLU A 59 4.368 -0.923 3.726 1.00 0.00 O ATOM 941 CB GLU A 59 3.104 -3.868 3.708 1.00 0.00 C ATOM 942 CG GLU A 59 4.435 -4.623 3.544 1.00 0.00 C ATOM 943 CD GLU A 59 5.368 -4.277 4.706 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.453 -3.109 5.046 1.00 0.00 O ATOM 945 OE2 GLU A 59 5.984 -5.188 5.237 1.00 0.00 O ATOM 0 H GLU A 59 3.522 -4.126 1.252 1.00 0.00 H new ATOM 0 HA GLU A 59 2.194 -2.025 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.000 -3.521 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.270 -4.542 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.254 -5.698 3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.903 -4.355 2.597 1.00 0.00 H new ATOM 952 N GLN A 60 5.269 -1.983 2.013 1.00 0.00 N ATOM 953 CA GLN A 60 6.508 -1.148 2.074 1.00 0.00 C ATOM 954 C GLN A 60 6.249 0.233 1.458 1.00 0.00 C ATOM 955 O GLN A 60 6.913 1.200 1.780 1.00 0.00 O ATOM 956 CB GLN A 60 7.560 -1.928 1.268 1.00 0.00 C ATOM 957 CG GLN A 60 7.134 -2.046 -0.201 1.00 0.00 C ATOM 958 CD GLN A 60 7.552 -3.412 -0.751 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.432 -4.414 -0.074 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.043 -3.493 -1.957 1.00 0.00 N ATOM 0 H GLN A 60 5.259 -2.688 1.276 1.00 0.00 H new ATOM 0 HA GLN A 60 6.840 -0.973 3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.524 -1.424 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.691 -2.922 1.696 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.054 -1.923 -0.288 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.593 -1.251 -0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.143 -2.651 -2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.327 -4.398 -2.332 1.00 0.00 H new ATOM 969 N LYS A 61 5.281 0.329 0.578 1.00 0.00 N ATOM 970 CA LYS A 61 4.965 1.643 -0.061 1.00 0.00 C ATOM 971 C LYS A 61 4.555 2.659 1.012 1.00 0.00 C ATOM 972 O LYS A 61 4.948 3.810 0.971 1.00 0.00 O ATOM 973 CB LYS A 61 3.797 1.350 -1.013 1.00 0.00 C ATOM 974 CG LYS A 61 3.325 2.644 -1.684 1.00 0.00 C ATOM 975 CD LYS A 61 2.418 2.305 -2.869 1.00 0.00 C ATOM 976 CE LYS A 61 2.364 3.497 -3.827 1.00 0.00 C ATOM 977 NZ LYS A 61 1.061 3.361 -4.537 1.00 0.00 N ATOM 0 H LYS A 61 4.695 -0.449 0.275 1.00 0.00 H new ATOM 0 HA LYS A 61 5.818 2.068 -0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.108 0.631 -1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.974 0.896 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.787 3.263 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.183 3.224 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.795 1.424 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.416 2.063 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.422 4.441 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.199 3.479 -4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.951 4.144 -5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.037 2.456 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.284 3.388 -3.846 1.00 0.00 H new ATOM 991 N ALA A 62 3.770 2.237 1.970 1.00 0.00 N ATOM 992 CA ALA A 62 3.330 3.171 3.052 1.00 0.00 C ATOM 993 C ALA A 62 4.492 3.494 4.005 1.00 0.00 C ATOM 994 O ALA A 62 4.388 4.383 4.829 1.00 0.00 O ATOM 995 CB ALA A 62 2.221 2.427 3.797 1.00 0.00 C ATOM 0 H ALA A 62 3.414 1.285 2.050 1.00 0.00 H new ATOM 0 HA ALA A 62 2.987 4.123 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.846 3.051 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.408 2.201 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.618 1.498 4.207 1.00 0.00 H new ATOM 1001 N ALA A 63 5.596 2.791 3.897 1.00 0.00 N ATOM 1002 CA ALA A 63 6.756 3.072 4.796 1.00 0.00 C ATOM 1003 C ALA A 63 7.789 3.966 4.092 1.00 0.00 C ATOM 1004 O ALA A 63 8.839 4.250 4.638 1.00 0.00 O ATOM 1005 CB ALA A 63 7.358 1.701 5.102 1.00 0.00 C ATOM 0 H ALA A 63 5.741 2.037 3.226 1.00 0.00 H new ATOM 0 HA ALA A 63 6.452 3.601 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.219 1.820 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.611 1.077 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.674 1.227 4.173 1.00 0.00 H new ATOM 1011 N LYS A 64 7.502 4.421 2.893 1.00 0.00 N ATOM 1012 CA LYS A 64 8.464 5.301 2.167 1.00 0.00 C ATOM 1013 C LYS A 64 7.958 6.743 2.181 1.00 0.00 C ATOM 1014 O LYS A 64 8.716 7.677 2.361 1.00 0.00 O ATOM 1015 CB LYS A 64 8.494 4.761 0.737 1.00 0.00 C ATOM 1016 CG LYS A 64 9.124 3.367 0.728 1.00 0.00 C ATOM 1017 CD LYS A 64 10.640 3.483 0.918 1.00 0.00 C ATOM 1018 CE LYS A 64 10.997 3.220 2.383 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.351 1.775 2.439 1.00 0.00 N ATOM 0 H LYS A 64 6.639 4.218 2.388 1.00 0.00 H new ATOM 0 HA LYS A 64 9.454 5.300 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.483 4.717 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.064 5.433 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.694 2.758 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.903 2.864 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.153 2.768 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.978 4.477 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.831 3.844 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.158 3.447 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.608 1.518 3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.536 1.206 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.157 1.590 1.808 1.00 0.00 H new ATOM 1033 N LEU A 65 6.676 6.921 1.997 1.00 0.00 N ATOM 1034 CA LEU A 65 6.096 8.296 2.003 1.00 0.00 C ATOM 1035 C LEU A 65 5.923 8.809 3.446 1.00 0.00 C ATOM 1036 O LEU A 65 5.476 9.921 3.659 1.00 0.00 O ATOM 1037 CB LEU A 65 4.739 8.157 1.294 1.00 0.00 C ATOM 1038 CG LEU A 65 3.795 7.283 2.125 1.00 0.00 C ATOM 1039 CD1 LEU A 65 2.916 8.180 3.001 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.909 6.456 1.190 1.00 0.00 C ATOM 0 H LEU A 65 6.003 6.170 1.842 1.00 0.00 H new ATOM 0 HA LEU A 65 6.741 9.018 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.297 9.142 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.880 7.717 0.307 1.00 0.00 H new ATOM 0 HG LEU A 65 4.378 6.613 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.242 7.562 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.547 8.770 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.332 8.848 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.237 5.834 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.323 7.124 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.535 5.820 0.564 1.00 0.00 H new ATOM 1052 N LYS A 66 6.283 8.018 4.433 1.00 0.00 N ATOM 1053 CA LYS A 66 6.150 8.471 5.847 1.00 0.00 C ATOM 1054 C LYS A 66 7.459 9.118 6.312 1.00 0.00 C ATOM 1055 O LYS A 66 7.473 9.898 7.247 1.00 0.00 O ATOM 1056 CB LYS A 66 5.867 7.197 6.645 1.00 0.00 C ATOM 1057 CG LYS A 66 5.308 7.567 8.019 1.00 0.00 C ATOM 1058 CD LYS A 66 4.537 6.377 8.594 1.00 0.00 C ATOM 1059 CE LYS A 66 5.524 5.292 9.030 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.710 4.048 9.127 1.00 0.00 N ATOM 0 H LYS A 66 6.663 7.079 4.314 1.00 0.00 H new ATOM 0 HA LYS A 66 5.362 9.213 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.155 6.570 6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.782 6.616 6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.120 7.846 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.651 8.433 7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.934 6.697 9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.850 5.980 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.332 5.180 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.984 5.538 9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.318 3.257 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.953 4.182 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.290 3.835 8.200 1.00 0.00 H new ATOM 1074 N GLU A 67 8.555 8.818 5.653 1.00 0.00 N ATOM 1075 CA GLU A 67 9.858 9.436 6.040 1.00 0.00 C ATOM 1076 C GLU A 67 9.998 10.827 5.397 1.00 0.00 C ATOM 1077 O GLU A 67 10.860 11.602 5.765 1.00 0.00 O ATOM 1078 CB GLU A 67 10.925 8.484 5.497 1.00 0.00 C ATOM 1079 CG GLU A 67 11.015 7.251 6.398 1.00 0.00 C ATOM 1080 CD GLU A 67 12.285 6.467 6.067 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.361 7.008 6.266 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.161 5.339 5.621 1.00 0.00 O ATOM 0 H GLU A 67 8.600 8.172 4.865 1.00 0.00 H new ATOM 0 HA GLU A 67 9.946 9.574 7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.677 8.186 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.890 8.988 5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.024 7.553 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.138 6.619 6.256 1.00 0.00 H new ATOM 1089 N LYS A 68 9.144 11.153 4.453 1.00 0.00 N ATOM 1090 CA LYS A 68 9.206 12.493 3.801 1.00 0.00 C ATOM 1091 C LYS A 68 8.060 13.364 4.322 1.00 0.00 C ATOM 1092 O LYS A 68 8.174 14.571 4.413 1.00 0.00 O ATOM 1093 CB LYS A 68 9.042 12.217 2.302 1.00 0.00 C ATOM 1094 CG LYS A 68 10.100 12.993 1.514 1.00 0.00 C ATOM 1095 CD LYS A 68 9.748 12.968 0.025 1.00 0.00 C ATOM 1096 CE LYS A 68 8.681 14.024 -0.266 1.00 0.00 C ATOM 1097 NZ LYS A 68 8.793 14.292 -1.727 1.00 0.00 N ATOM 0 H LYS A 68 8.404 10.541 4.108 1.00 0.00 H new ATOM 0 HA LYS A 68 10.136 13.021 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.140 11.149 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.044 12.510 1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.151 14.022 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.084 12.552 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.638 13.161 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.383 11.980 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.686 13.662 -0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.853 14.930 0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.091 15.008 -2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.748 14.642 -1.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.618 13.414 -2.256 1.00 0.00 H new ATOM 1111 N TYR A 69 6.960 12.748 4.675 1.00 0.00 N ATOM 1112 CA TYR A 69 5.793 13.515 5.207 1.00 0.00 C ATOM 1113 C TYR A 69 6.083 13.959 6.650 1.00 0.00 C ATOM 1114 O TYR A 69 5.976 15.122 6.984 1.00 0.00 O ATOM 1115 CB TYR A 69 4.616 12.515 5.136 1.00 0.00 C ATOM 1116 CG TYR A 69 3.459 12.952 6.015 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.985 14.268 5.958 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.865 12.032 6.888 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.919 14.663 6.774 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.798 12.428 7.704 1.00 0.00 C ATOM 1121 CZ TYR A 69 1.325 13.744 7.647 1.00 0.00 C ATOM 1122 OH TYR A 69 0.274 14.135 8.451 1.00 0.00 O ATOM 0 H TYR A 69 6.820 11.739 4.617 1.00 0.00 H new ATOM 0 HA TYR A 69 5.576 14.424 4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.276 12.425 4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.957 11.528 5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.442 14.978 5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.230 11.017 6.932 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.554 15.679 6.730 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.340 11.718 8.377 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.022 13.375 8.995 1.00 0.00 H new ATOM 1132 N GLU A 70 6.438 13.031 7.501 1.00 0.00 N ATOM 1133 CA GLU A 70 6.723 13.377 8.932 1.00 0.00 C ATOM 1134 C GLU A 70 7.813 14.452 9.042 1.00 0.00 C ATOM 1135 O GLU A 70 7.936 15.104 10.063 1.00 0.00 O ATOM 1136 CB GLU A 70 7.202 12.070 9.570 1.00 0.00 C ATOM 1137 CG GLU A 70 5.991 11.204 9.926 1.00 0.00 C ATOM 1138 CD GLU A 70 5.312 11.765 11.176 1.00 0.00 C ATOM 1139 OE1 GLU A 70 4.507 12.670 11.033 1.00 0.00 O ATOM 1140 OE2 GLU A 70 5.608 11.279 12.255 1.00 0.00 O ATOM 0 H GLU A 70 6.544 12.044 7.268 1.00 0.00 H new ATOM 0 HA GLU A 70 5.840 13.784 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.856 11.535 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.787 12.282 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.287 11.185 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.305 10.175 10.101 1.00 0.00 H new ATOM 1147 N LYS A 71 8.603 14.642 8.015 1.00 0.00 N ATOM 1148 CA LYS A 71 9.684 15.673 8.082 1.00 0.00 C ATOM 1149 C LYS A 71 9.316 16.903 7.244 1.00 0.00 C ATOM 1150 O LYS A 71 9.742 18.005 7.531 1.00 0.00 O ATOM 1151 CB LYS A 71 10.922 14.987 7.504 1.00 0.00 C ATOM 1152 CG LYS A 71 11.559 14.097 8.574 1.00 0.00 C ATOM 1153 CD LYS A 71 12.672 13.259 7.943 1.00 0.00 C ATOM 1154 CE LYS A 71 12.991 12.066 8.847 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.510 11.014 7.928 1.00 0.00 N ATOM 0 H LYS A 71 8.547 14.129 7.135 1.00 0.00 H new ATOM 0 HA LYS A 71 9.845 16.026 9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.647 14.389 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.639 15.734 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.963 14.710 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.805 13.446 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.364 12.909 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.564 13.869 7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.731 12.330 9.603 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.102 11.724 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.751 10.163 8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.782 10.778 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.360 11.366 7.443 1.00 0.00 H new ATOM 1169 N ASP A 72 8.541 16.719 6.204 1.00 0.00 N ATOM 1170 CA ASP A 72 8.159 17.875 5.337 1.00 0.00 C ATOM 1171 C ASP A 72 6.913 18.584 5.880 1.00 0.00 C ATOM 1172 O ASP A 72 6.821 19.797 5.845 1.00 0.00 O ATOM 1173 CB ASP A 72 7.864 17.259 3.968 1.00 0.00 C ATOM 1174 CG ASP A 72 7.635 18.373 2.946 1.00 0.00 C ATOM 1175 OD1 ASP A 72 8.596 19.037 2.595 1.00 0.00 O ATOM 1176 OD2 ASP A 72 6.500 18.544 2.530 1.00 0.00 O ATOM 0 H ASP A 72 8.157 15.818 5.918 1.00 0.00 H new ATOM 0 HA ASP A 72 8.948 18.626 5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.696 16.629 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.984 16.619 4.027 1.00 0.00 H new ATOM 1181 N ILE A 73 5.952 17.841 6.370 1.00 0.00 N ATOM 1182 CA ILE A 73 4.707 18.480 6.901 1.00 0.00 C ATOM 1183 C ILE A 73 5.028 19.408 8.085 1.00 0.00 C ATOM 1184 O ILE A 73 4.259 20.292 8.412 1.00 0.00 O ATOM 1185 CB ILE A 73 3.795 17.314 7.323 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.393 17.855 7.612 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.343 16.616 8.577 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.671 18.123 6.288 1.00 0.00 C ATOM 0 H ILE A 73 5.975 16.823 6.426 1.00 0.00 H new ATOM 0 HA ILE A 73 4.222 19.109 6.155 1.00 0.00 H new ATOM 0 HB ILE A 73 3.758 16.586 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.829 17.137 8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.458 18.773 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.681 15.796 8.855 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.339 16.224 8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.398 17.332 9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.672 18.509 6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.233 18.856 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.594 17.195 5.721 1.00 0.00 H new