USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=17 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= 0.0948 USER MOD Single : A 20 CYS SG : rot 170:sc= -6.56! USER MOD Single : A 21 SER OG : rot -85:sc= 1.11 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0327) USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.204) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.0673 K(o=-0.067,f=-3.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 86:sc= -0.666 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= -1.62 X(o=-1.6,f=-1.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc=-0.00633 (180deg=-0.0263) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.312 (180deg=-0.444) USER MOD Single : A 56 GLN : amide:sc= -0.0682 X(o=-0.068,f=-0.066) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) 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+ -114:sc=-0.00247 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 1.537 15.910 0.601 1.00 0.00 N ATOM 137 CA PRO A 9 1.081 14.588 1.099 1.00 0.00 C ATOM 138 C PRO A 9 -0.120 14.755 2.034 1.00 0.00 C ATOM 139 O PRO A 9 0.033 14.897 3.234 1.00 0.00 O ATOM 140 CB PRO A 9 2.288 14.051 1.862 1.00 0.00 C ATOM 141 CG PRO A 9 3.057 15.265 2.277 1.00 0.00 C ATOM 142 CD PRO A 9 2.792 16.333 1.248 1.00 0.00 C ATOM 0 HA PRO A 9 0.757 13.921 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.979 13.465 2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.893 13.397 1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.745 15.598 3.267 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.123 15.044 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.690 17.315 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.607 16.403 0.528 1.00 0.00 H new ATOM 150 N LYS A 10 -1.312 14.742 1.493 1.00 0.00 N ATOM 151 CA LYS A 10 -2.525 14.901 2.338 1.00 0.00 C ATOM 152 C LYS A 10 -3.221 13.551 2.532 1.00 0.00 C ATOM 153 O LYS A 10 -4.430 13.473 2.630 1.00 0.00 O ATOM 154 CB LYS A 10 -3.420 15.879 1.569 1.00 0.00 C ATOM 155 CG LYS A 10 -3.832 15.277 0.213 1.00 0.00 C ATOM 156 CD LYS A 10 -3.481 16.247 -0.919 1.00 0.00 C ATOM 157 CE LYS A 10 -3.933 15.659 -2.256 1.00 0.00 C ATOM 158 NZ LYS A 10 -4.125 16.835 -3.148 1.00 0.00 N ATOM 0 H LYS A 10 -1.494 14.627 0.496 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.289 15.272 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.309 16.108 2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.891 16.819 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.323 14.326 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.902 15.071 0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.965 17.209 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.407 16.430 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.186 14.975 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.857 15.092 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.436 16.512 -4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.846 17.465 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.227 17.351 -3.240 1.00 0.00 H new ATOM 172 N ARG A 11 -2.457 12.494 2.586 1.00 0.00 N ATOM 173 CA ARG A 11 -3.056 11.137 2.772 1.00 0.00 C ATOM 174 C ARG A 11 -1.960 10.097 3.061 1.00 0.00 C ATOM 175 O ARG A 11 -1.300 9.639 2.150 1.00 0.00 O ATOM 176 CB ARG A 11 -3.746 10.820 1.445 1.00 0.00 C ATOM 177 CG ARG A 11 -4.617 9.576 1.612 1.00 0.00 C ATOM 178 CD ARG A 11 -5.953 9.970 2.246 1.00 0.00 C ATOM 179 NE ARG A 11 -6.907 8.906 1.827 1.00 0.00 N ATOM 180 CZ ARG A 11 -8.171 9.191 1.666 1.00 0.00 C ATOM 181 NH1 ARG A 11 -8.553 9.900 0.639 1.00 0.00 N ATOM 182 NH2 ARG A 11 -9.050 8.768 2.531 1.00 0.00 N ATOM 0 H ARG A 11 -1.440 12.510 2.509 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.748 11.112 3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.357 11.666 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.002 10.655 0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.787 9.105 0.644 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.107 8.843 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.874 10.024 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.280 10.951 1.901 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.573 7.956 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.864 10.231 -0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.540 10.123 0.512 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.750 8.214 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.037 8.991 2.405 1.00 0.00 H new ATOM 196 N PRO A 12 -1.799 9.743 4.321 1.00 0.00 N ATOM 197 CA PRO A 12 -0.771 8.740 4.688 1.00 0.00 C ATOM 198 C PRO A 12 -1.245 7.326 4.298 1.00 0.00 C ATOM 199 O PRO A 12 -2.234 6.852 4.822 1.00 0.00 O ATOM 200 CB PRO A 12 -0.660 8.871 6.202 1.00 0.00 C ATOM 201 CG PRO A 12 -1.972 9.428 6.646 1.00 0.00 C ATOM 202 CD PRO A 12 -2.534 10.229 5.500 1.00 0.00 C ATOM 0 HA PRO A 12 0.181 8.899 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.465 7.905 6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.162 9.530 6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.655 8.625 6.924 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.843 10.057 7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.607 10.071 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.383 11.298 5.650 1.00 0.00 H new ATOM 210 N PRO A 13 -0.535 6.691 3.388 1.00 0.00 N ATOM 211 CA PRO A 13 -0.923 5.331 2.951 1.00 0.00 C ATOM 212 C PRO A 13 -0.417 4.284 3.951 1.00 0.00 C ATOM 213 O PRO A 13 0.439 4.562 4.769 1.00 0.00 O ATOM 214 CB PRO A 13 -0.230 5.177 1.600 1.00 0.00 C ATOM 215 CG PRO A 13 0.938 6.116 1.634 1.00 0.00 C ATOM 216 CD PRO A 13 0.670 7.162 2.690 1.00 0.00 C ATOM 0 HA PRO A 13 -2.002 5.192 2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.098 4.149 1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.907 5.424 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.856 5.573 1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.077 6.585 0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.512 7.257 3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.510 8.143 2.243 1.00 0.00 H new ATOM 224 N SER A 14 -0.944 3.085 3.889 1.00 0.00 N ATOM 225 CA SER A 14 -0.497 2.019 4.837 1.00 0.00 C ATOM 226 C SER A 14 -0.958 0.638 4.350 1.00 0.00 C ATOM 227 O SER A 14 -1.731 -0.035 5.005 1.00 0.00 O ATOM 228 CB SER A 14 -1.162 2.372 6.167 1.00 0.00 C ATOM 229 OG SER A 14 -0.688 1.493 7.178 1.00 0.00 O ATOM 0 H SER A 14 -1.663 2.800 3.224 1.00 0.00 H new ATOM 0 HA SER A 14 0.589 1.972 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.940 3.405 6.434 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.245 2.291 6.078 1.00 0.00 H new ATOM 0 HG SER A 14 -0.957 0.575 6.966 1.00 0.00 H new ATOM 235 N ALA A 15 -0.496 0.213 3.196 1.00 0.00 N ATOM 236 CA ALA A 15 -0.900 -1.120 2.634 1.00 0.00 C ATOM 237 C ALA A 15 -2.393 -1.119 2.304 1.00 0.00 C ATOM 238 O ALA A 15 -2.774 -0.996 1.156 1.00 0.00 O ATOM 239 CB ALA A 15 -0.566 -2.177 3.701 1.00 0.00 C ATOM 0 H ALA A 15 0.153 0.740 2.611 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.367 -1.339 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.844 -3.165 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.503 -2.156 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.120 -1.960 4.614 1.00 0.00 H new ATOM 245 N PHE A 16 -3.244 -1.264 3.295 1.00 0.00 N ATOM 246 CA PHE A 16 -4.727 -1.279 3.042 1.00 0.00 C ATOM 247 C PHE A 16 -5.152 -0.120 2.133 1.00 0.00 C ATOM 248 O PHE A 16 -5.844 -0.313 1.151 1.00 0.00 O ATOM 249 CB PHE A 16 -5.357 -1.112 4.424 1.00 0.00 C ATOM 250 CG PHE A 16 -6.792 -1.579 4.385 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.742 -0.862 3.647 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.173 -2.730 5.085 1.00 0.00 C ATOM 253 CE1 PHE A 16 -9.072 -1.295 3.610 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.504 -3.163 5.048 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.454 -2.446 4.311 1.00 0.00 C ATOM 0 H PHE A 16 -2.976 -1.373 4.273 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.037 -2.195 2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.797 -1.686 5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.312 -0.067 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.448 0.025 3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.440 -3.284 5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.804 -0.742 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.798 -4.051 5.588 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.481 -2.780 4.283 1.00 0.00 H new ATOM 265 N PHE A 17 -4.738 1.080 2.454 1.00 0.00 N ATOM 266 CA PHE A 17 -5.110 2.258 1.609 1.00 0.00 C ATOM 267 C PHE A 17 -4.616 2.048 0.174 1.00 0.00 C ATOM 268 O PHE A 17 -5.274 2.421 -0.779 1.00 0.00 O ATOM 269 CB PHE A 17 -4.399 3.455 2.248 1.00 0.00 C ATOM 270 CG PHE A 17 -5.380 4.244 3.082 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.340 5.050 2.459 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.329 4.168 4.479 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.248 5.781 3.233 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.238 4.899 5.254 1.00 0.00 C ATOM 275 CZ PHE A 17 -7.198 5.706 4.631 1.00 0.00 C ATOM 0 H PHE A 17 -4.158 1.296 3.265 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.189 2.407 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.573 3.110 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.971 4.092 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.380 5.108 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.588 3.545 4.959 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.988 6.404 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.199 4.840 6.332 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.899 6.270 5.228 1.00 0.00 H new ATOM 285 N LEU A 18 -3.460 1.455 0.020 1.00 0.00 N ATOM 286 CA LEU A 18 -2.908 1.219 -1.349 1.00 0.00 C ATOM 287 C LEU A 18 -3.762 0.187 -2.090 1.00 0.00 C ATOM 288 O LEU A 18 -4.008 0.309 -3.276 1.00 0.00 O ATOM 289 CB LEU A 18 -1.486 0.662 -1.145 1.00 0.00 C ATOM 290 CG LEU A 18 -0.649 1.574 -0.230 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.782 1.035 -0.159 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.617 3.001 -0.790 1.00 0.00 C ATOM 0 H LEU A 18 -2.873 1.123 0.785 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.904 2.136 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.544 -0.336 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.991 0.561 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.097 1.589 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.381 1.676 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.770 0.023 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.216 1.022 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.022 3.636 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.173 2.991 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.633 3.391 -0.849 1.00 0.00 H new ATOM 304 N PHE A 19 -4.202 -0.832 -1.399 1.00 0.00 N ATOM 305 CA PHE A 19 -5.031 -1.893 -2.053 1.00 0.00 C ATOM 306 C PHE A 19 -6.440 -1.375 -2.356 1.00 0.00 C ATOM 307 O PHE A 19 -6.914 -1.463 -3.471 1.00 0.00 O ATOM 308 CB PHE A 19 -5.090 -3.032 -1.032 1.00 0.00 C ATOM 309 CG PHE A 19 -5.748 -4.241 -1.652 1.00 0.00 C ATOM 310 CD1 PHE A 19 -7.144 -4.323 -1.713 1.00 0.00 C ATOM 311 CD2 PHE A 19 -4.962 -5.281 -2.162 1.00 0.00 C ATOM 312 CE1 PHE A 19 -7.754 -5.446 -2.284 1.00 0.00 C ATOM 313 CE2 PHE A 19 -5.572 -6.404 -2.733 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.968 -6.486 -2.794 1.00 0.00 C ATOM 0 H PHE A 19 -4.023 -0.977 -0.405 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.606 -2.211 -3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.084 -3.285 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.648 -2.715 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.750 -3.520 -1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.885 -5.217 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.831 -5.510 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.966 -7.207 -3.126 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.439 -7.352 -3.235 1.00 0.00 H new ATOM 324 N CYS A 20 -7.110 -0.839 -1.368 1.00 0.00 N ATOM 325 CA CYS A 20 -8.498 -0.318 -1.589 1.00 0.00 C ATOM 326 C CYS A 20 -8.508 0.748 -2.690 1.00 0.00 C ATOM 327 O CYS A 20 -9.296 0.689 -3.615 1.00 0.00 O ATOM 328 CB CYS A 20 -8.914 0.295 -0.250 1.00 0.00 C ATOM 329 SG CYS A 20 -10.684 0.674 -0.283 1.00 0.00 S ATOM 0 H CYS A 20 -6.758 -0.738 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.180 -1.106 -1.909 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.695 -0.397 0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.341 1.202 -0.059 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.082 0.992 0.913 1.00 0.00 H new ATOM 335 N SER A 21 -7.642 1.722 -2.591 1.00 0.00 N ATOM 336 CA SER A 21 -7.599 2.803 -3.625 1.00 0.00 C ATOM 337 C SER A 21 -7.298 2.221 -5.010 1.00 0.00 C ATOM 338 O SER A 21 -7.666 2.789 -6.020 1.00 0.00 O ATOM 339 CB SER A 21 -6.471 3.737 -3.184 1.00 0.00 C ATOM 340 OG SER A 21 -5.238 3.028 -3.213 1.00 0.00 O ATOM 0 H SER A 21 -6.961 1.817 -1.838 1.00 0.00 H new ATOM 0 HA SER A 21 -8.554 3.322 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.422 4.603 -3.843 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.665 4.112 -2.179 1.00 0.00 H new ATOM 0 HG SER A 21 -5.123 2.537 -2.373 1.00 0.00 H new ATOM 346 N GLU A 22 -6.617 1.102 -5.065 1.00 0.00 N ATOM 347 CA GLU A 22 -6.276 0.495 -6.389 1.00 0.00 C ATOM 348 C GLU A 22 -7.300 -0.572 -6.795 1.00 0.00 C ATOM 349 O GLU A 22 -7.452 -0.875 -7.964 1.00 0.00 O ATOM 350 CB GLU A 22 -4.903 -0.141 -6.186 1.00 0.00 C ATOM 351 CG GLU A 22 -3.813 0.909 -6.407 1.00 0.00 C ATOM 352 CD GLU A 22 -3.815 1.347 -7.874 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.118 0.726 -8.659 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.515 2.297 -8.186 1.00 0.00 O ATOM 0 H GLU A 22 -6.283 0.584 -4.252 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.280 1.241 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.827 -0.552 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.769 -0.970 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.985 1.769 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.839 0.499 -6.140 1.00 0.00 H new ATOM 361 N TYR A 23 -7.991 -1.154 -5.846 1.00 0.00 N ATOM 362 CA TYR A 23 -8.992 -2.213 -6.188 1.00 0.00 C ATOM 363 C TYR A 23 -10.382 -1.606 -6.402 1.00 0.00 C ATOM 364 O TYR A 23 -11.148 -2.081 -7.215 1.00 0.00 O ATOM 365 CB TYR A 23 -8.996 -3.162 -4.989 1.00 0.00 C ATOM 366 CG TYR A 23 -8.004 -4.275 -5.229 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.630 -4.011 -5.178 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.458 -5.569 -5.508 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.710 -5.043 -5.404 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.539 -6.601 -5.735 1.00 0.00 C ATOM 371 CZ TYR A 23 -6.165 -6.337 -5.683 1.00 0.00 C ATOM 372 OH TYR A 23 -5.258 -7.353 -5.906 1.00 0.00 O ATOM 0 H TYR A 23 -7.906 -0.943 -4.852 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.736 -2.726 -7.115 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.737 -2.619 -4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.994 -3.575 -4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.279 -3.012 -4.964 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.518 -5.772 -5.548 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.650 -4.840 -5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.890 -7.600 -5.950 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.739 -8.188 -6.084 1.00 0.00 H new ATOM 382 N ARG A 24 -10.715 -0.563 -5.680 1.00 0.00 N ATOM 383 CA ARG A 24 -12.060 0.077 -5.837 1.00 0.00 C ATOM 384 C ARG A 24 -12.410 0.338 -7.315 1.00 0.00 C ATOM 385 O ARG A 24 -13.459 -0.080 -7.753 1.00 0.00 O ATOM 386 CB ARG A 24 -11.982 1.393 -5.074 1.00 0.00 C ATOM 387 CG ARG A 24 -12.161 1.129 -3.576 1.00 0.00 C ATOM 388 CD ARG A 24 -11.870 2.411 -2.792 1.00 0.00 C ATOM 389 NE ARG A 24 -12.915 2.456 -1.731 1.00 0.00 N ATOM 390 CZ ARG A 24 -12.698 3.120 -0.630 1.00 0.00 C ATOM 391 NH1 ARG A 24 -12.225 4.335 -0.682 1.00 0.00 N ATOM 392 NH2 ARG A 24 -12.953 2.569 0.526 1.00 0.00 N ATOM 0 H ARG A 24 -10.110 -0.125 -4.985 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.842 -0.579 -5.454 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.021 1.875 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.754 2.077 -5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.177 0.790 -3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.490 0.333 -3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.869 2.392 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.923 3.289 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.800 1.967 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.025 4.766 -1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.056 4.854 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.322 1.619 0.568 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.783 3.089 1.387 1.00 0.00 H new ATOM 406 N PRO A 25 -11.531 1.008 -8.048 1.00 0.00 N ATOM 407 CA PRO A 25 -11.813 1.295 -9.488 1.00 0.00 C ATOM 408 C PRO A 25 -12.003 -0.011 -10.257 1.00 0.00 C ATOM 409 O PRO A 25 -12.734 -0.067 -11.229 1.00 0.00 O ATOM 410 CB PRO A 25 -10.581 2.074 -9.950 1.00 0.00 C ATOM 411 CG PRO A 25 -9.516 1.691 -8.982 1.00 0.00 C ATOM 412 CD PRO A 25 -10.213 1.540 -7.657 1.00 0.00 C ATOM 0 HA PRO A 25 -12.729 1.861 -9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.304 1.810 -10.971 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.762 3.149 -9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.032 0.761 -9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.738 2.453 -8.932 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.681 0.858 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.299 2.492 -7.133 1.00 0.00 H new ATOM 420 N LYS A 26 -11.378 -1.066 -9.807 1.00 0.00 N ATOM 421 CA LYS A 26 -11.551 -2.384 -10.483 1.00 0.00 C ATOM 422 C LYS A 26 -12.978 -2.868 -10.247 1.00 0.00 C ATOM 423 O LYS A 26 -13.652 -3.339 -11.143 1.00 0.00 O ATOM 424 CB LYS A 26 -10.569 -3.321 -9.788 1.00 0.00 C ATOM 425 CG LYS A 26 -10.363 -4.575 -10.641 1.00 0.00 C ATOM 426 CD LYS A 26 -11.504 -5.561 -10.383 1.00 0.00 C ATOM 427 CE LYS A 26 -11.124 -6.938 -10.929 1.00 0.00 C ATOM 428 NZ LYS A 26 -10.330 -7.577 -9.844 1.00 0.00 N ATOM 0 H LYS A 26 -10.755 -1.072 -9.000 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.374 -2.336 -11.557 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.616 -2.815 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.948 -3.597 -8.804 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.331 -4.308 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.406 -5.038 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.708 -5.626 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.418 -5.208 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.010 -7.526 -11.168 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.541 -6.852 -11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.626 -8.218 -10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.845 -6.843 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.964 -8.117 -9.222 1.00 0.00 H new ATOM 442 N ILE A 27 -13.436 -2.742 -9.028 1.00 0.00 N ATOM 443 CA ILE A 27 -14.821 -3.179 -8.680 1.00 0.00 C ATOM 444 C ILE A 27 -15.841 -2.412 -9.521 1.00 0.00 C ATOM 445 O ILE A 27 -16.916 -2.901 -9.800 1.00 0.00 O ATOM 446 CB ILE A 27 -15.012 -2.802 -7.197 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.969 -3.501 -6.309 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.415 -3.205 -6.733 1.00 0.00 C ATOM 449 CD1 ILE A 27 -14.053 -5.016 -6.483 1.00 0.00 C ATOM 0 H ILE A 27 -12.903 -2.351 -8.251 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.961 -4.244 -8.863 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.884 -1.723 -7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.969 -3.153 -6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.136 -3.238 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.543 -2.936 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.161 -2.685 -7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.541 -4.281 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.309 -5.497 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.048 -5.360 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.862 -5.274 -7.525 1.00 0.00 H new ATOM 461 N LYS A 28 -15.528 -1.196 -9.874 1.00 0.00 N ATOM 462 CA LYS A 28 -16.506 -0.364 -10.641 1.00 0.00 C ATOM 463 C LYS A 28 -16.618 -0.860 -12.086 1.00 0.00 C ATOM 464 O LYS A 28 -17.691 -0.868 -12.661 1.00 0.00 O ATOM 465 CB LYS A 28 -15.995 1.099 -10.608 1.00 0.00 C ATOM 466 CG LYS A 28 -15.324 1.498 -9.269 1.00 0.00 C ATOM 467 CD LYS A 28 -16.050 0.940 -8.030 1.00 0.00 C ATOM 468 CE LYS A 28 -17.530 1.332 -8.065 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.552 2.781 -7.723 1.00 0.00 N ATOM 0 H LYS A 28 -14.639 -0.740 -9.666 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.498 -0.434 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.280 1.243 -11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.832 1.771 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.294 1.143 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.286 2.585 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.954 -0.145 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.585 1.325 -7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.963 1.152 -9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.110 0.749 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.283 2.957 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.624 3.063 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.764 3.336 -8.577 1.00 0.00 H new ATOM 483 N SER A 29 -15.524 -1.265 -12.679 1.00 0.00 N ATOM 484 CA SER A 29 -15.568 -1.754 -14.096 1.00 0.00 C ATOM 485 C SER A 29 -16.542 -2.930 -14.235 1.00 0.00 C ATOM 486 O SER A 29 -17.086 -3.173 -15.296 1.00 0.00 O ATOM 487 CB SER A 29 -14.140 -2.205 -14.410 1.00 0.00 C ATOM 488 OG SER A 29 -14.037 -2.505 -15.795 1.00 0.00 O ATOM 0 H SER A 29 -14.601 -1.279 -12.246 1.00 0.00 H new ATOM 0 HA SER A 29 -15.913 -0.979 -14.780 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.431 -1.421 -14.142 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.884 -3.082 -13.816 1.00 0.00 H new ATOM 0 HG SER A 29 -13.123 -2.793 -16.000 1.00 0.00 H new ATOM 494 N GLU A 30 -16.758 -3.662 -13.172 1.00 0.00 N ATOM 495 CA GLU A 30 -17.690 -4.829 -13.233 1.00 0.00 C ATOM 496 C GLU A 30 -18.912 -4.599 -12.333 1.00 0.00 C ATOM 497 O GLU A 30 -19.958 -5.190 -12.533 1.00 0.00 O ATOM 498 CB GLU A 30 -16.864 -6.015 -12.725 1.00 0.00 C ATOM 499 CG GLU A 30 -16.451 -6.902 -13.904 1.00 0.00 C ATOM 500 CD GLU A 30 -17.644 -7.748 -14.349 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.474 -7.231 -15.079 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.709 -8.900 -13.952 1.00 0.00 O ATOM 0 H GLU A 30 -16.328 -3.501 -12.261 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.075 -4.993 -14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.979 -5.655 -12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.446 -6.595 -12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.100 -6.285 -14.731 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.622 -7.548 -13.614 1.00 0.00 H new ATOM 509 N HIS A 31 -18.787 -3.746 -11.348 1.00 0.00 N ATOM 510 CA HIS A 31 -19.942 -3.475 -10.436 1.00 0.00 C ATOM 511 C HIS A 31 -20.279 -1.976 -10.461 1.00 0.00 C ATOM 512 O HIS A 31 -19.673 -1.202 -9.747 1.00 0.00 O ATOM 513 CB HIS A 31 -19.498 -3.896 -9.025 1.00 0.00 C ATOM 514 CG HIS A 31 -18.884 -5.273 -9.046 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.515 -5.468 -9.120 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.439 -6.529 -9.003 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.291 -6.793 -9.119 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.431 -7.487 -9.049 1.00 0.00 N ATOM 0 H HIS A 31 -17.936 -3.225 -11.135 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.831 -4.025 -10.744 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.777 -3.177 -8.636 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.354 -3.885 -8.351 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.805 -4.738 -9.167 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.496 -6.740 -8.943 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.310 -7.242 -9.169 1.00 0.00 H new ATOM 526 N PRO A 32 -21.236 -1.606 -11.284 1.00 0.00 N ATOM 527 CA PRO A 32 -21.630 -0.181 -11.381 1.00 0.00 C ATOM 528 C PRO A 32 -22.455 0.223 -10.158 1.00 0.00 C ATOM 529 O PRO A 32 -22.294 1.301 -9.617 1.00 0.00 O ATOM 530 CB PRO A 32 -22.469 -0.121 -12.652 1.00 0.00 C ATOM 531 CG PRO A 32 -22.997 -1.508 -12.846 1.00 0.00 C ATOM 532 CD PRO A 32 -22.032 -2.458 -12.185 1.00 0.00 C ATOM 0 HA PRO A 32 -20.779 0.499 -11.413 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.282 0.598 -12.553 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.868 0.193 -13.505 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -23.990 -1.605 -12.408 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.093 -1.736 -13.907 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.557 -3.238 -11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.401 -2.958 -12.920 1.00 0.00 H new ATOM 540 N GLY A 33 -23.332 -0.640 -9.723 1.00 0.00 N ATOM 541 CA GLY A 33 -24.173 -0.327 -8.533 1.00 0.00 C ATOM 542 C GLY A 33 -23.310 -0.330 -7.262 1.00 0.00 C ATOM 543 O GLY A 33 -23.698 0.214 -6.249 1.00 0.00 O ATOM 0 H GLY A 33 -23.503 -1.554 -10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.646 0.647 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.973 -1.061 -8.440 1.00 0.00 H new ATOM 547 N LEU A 34 -22.154 -0.952 -7.308 1.00 0.00 N ATOM 548 CA LEU A 34 -21.258 -1.008 -6.101 1.00 0.00 C ATOM 549 C LEU A 34 -20.924 0.403 -5.594 1.00 0.00 C ATOM 550 O LEU A 34 -19.904 0.969 -5.940 1.00 0.00 O ATOM 551 CB LEU A 34 -19.979 -1.720 -6.586 1.00 0.00 C ATOM 552 CG LEU A 34 -19.786 -3.060 -5.855 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.489 -2.800 -4.379 1.00 0.00 C ATOM 554 CD2 LEU A 34 -21.047 -3.928 -5.980 1.00 0.00 C ATOM 0 H LEU A 34 -21.789 -1.427 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.734 -1.529 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.039 -1.893 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.114 -1.079 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.949 -3.590 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.353 -3.750 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.580 -2.205 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.322 -2.259 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.892 -4.872 -5.457 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.895 -3.404 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.250 -4.125 -7.033 1.00 0.00 H new ATOM 566 N SER A 35 -21.775 0.969 -4.775 1.00 0.00 N ATOM 567 CA SER A 35 -21.512 2.339 -4.237 1.00 0.00 C ATOM 568 C SER A 35 -20.400 2.280 -3.187 1.00 0.00 C ATOM 569 O SER A 35 -19.941 1.214 -2.826 1.00 0.00 O ATOM 570 CB SER A 35 -22.830 2.781 -3.600 1.00 0.00 C ATOM 571 OG SER A 35 -23.841 2.829 -4.599 1.00 0.00 O ATOM 0 H SER A 35 -22.643 0.540 -4.455 1.00 0.00 H new ATOM 0 HA SER A 35 -21.187 3.033 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.116 2.087 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.713 3.761 -3.137 1.00 0.00 H new ATOM 0 HG SER A 35 -24.688 3.110 -4.194 1.00 0.00 H new ATOM 577 N ILE A 36 -19.965 3.415 -2.691 1.00 0.00 N ATOM 578 CA ILE A 36 -18.877 3.420 -1.658 1.00 0.00 C ATOM 579 C ILE A 36 -19.266 2.526 -0.473 1.00 0.00 C ATOM 580 O ILE A 36 -18.423 1.903 0.146 1.00 0.00 O ATOM 581 CB ILE A 36 -18.739 4.884 -1.211 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.271 5.750 -2.394 1.00 0.00 C ATOM 583 CG2 ILE A 36 -17.723 4.985 -0.065 1.00 0.00 C ATOM 584 CD1 ILE A 36 -16.912 5.260 -2.910 1.00 0.00 C ATOM 0 H ILE A 36 -20.315 4.336 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.938 3.033 -2.054 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.708 5.242 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.008 5.710 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.195 6.792 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.629 6.025 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.063 4.382 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -16.754 4.620 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.594 5.882 -3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.175 5.324 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.000 4.225 -3.241 1.00 0.00 H new ATOM 596 N GLY A 37 -20.535 2.461 -0.158 1.00 0.00 N ATOM 597 CA GLY A 37 -20.987 1.609 0.981 1.00 0.00 C ATOM 598 C GLY A 37 -20.559 0.161 0.732 1.00 0.00 C ATOM 599 O GLY A 37 -19.743 -0.384 1.448 1.00 0.00 O ATOM 0 H GLY A 37 -21.279 2.963 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.557 1.972 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.070 1.667 1.086 1.00 0.00 H new ATOM 603 N ASP A 38 -21.093 -0.454 -0.289 1.00 0.00 N ATOM 604 CA ASP A 38 -20.714 -1.865 -0.599 1.00 0.00 C ATOM 605 C ASP A 38 -19.266 -1.929 -1.093 1.00 0.00 C ATOM 606 O ASP A 38 -18.545 -2.852 -0.785 1.00 0.00 O ATOM 607 CB ASP A 38 -21.678 -2.305 -1.705 1.00 0.00 C ATOM 608 CG ASP A 38 -22.878 -3.018 -1.083 1.00 0.00 C ATOM 609 OD1 ASP A 38 -23.675 -2.348 -0.446 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.983 -4.222 -1.254 1.00 0.00 O ATOM 0 H ASP A 38 -21.776 -0.040 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.779 -2.510 0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.012 -1.439 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.168 -2.970 -2.403 1.00 0.00 H new ATOM 615 N THR A 39 -18.831 -0.944 -1.835 1.00 0.00 N ATOM 616 CA THR A 39 -17.421 -0.944 -2.338 1.00 0.00 C ATOM 617 C THR A 39 -16.441 -0.895 -1.164 1.00 0.00 C ATOM 618 O THR A 39 -15.344 -1.419 -1.239 1.00 0.00 O ATOM 619 CB THR A 39 -17.293 0.313 -3.209 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.206 0.226 -4.292 1.00 0.00 O ATOM 621 CG2 THR A 39 -15.867 0.423 -3.756 1.00 0.00 C ATOM 0 H THR A 39 -19.390 -0.138 -2.116 1.00 0.00 H new ATOM 0 HA THR A 39 -17.190 -1.846 -2.905 1.00 0.00 H new ATOM 0 HB THR A 39 -17.516 1.194 -2.607 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.079 0.571 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.782 1.317 -4.374 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.163 0.487 -2.926 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.639 -0.457 -4.358 1.00 0.00 H new ATOM 629 N ALA A 40 -16.828 -0.272 -0.082 1.00 0.00 N ATOM 630 CA ALA A 40 -15.921 -0.189 1.100 1.00 0.00 C ATOM 631 C ALA A 40 -15.898 -1.528 1.841 1.00 0.00 C ATOM 632 O ALA A 40 -14.853 -2.006 2.243 1.00 0.00 O ATOM 633 CB ALA A 40 -16.517 0.905 1.988 1.00 0.00 C ATOM 0 H ALA A 40 -17.733 0.183 0.034 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.893 0.036 0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.902 1.024 2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.544 1.846 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.529 0.626 2.279 1.00 0.00 H new ATOM 639 N LYS A 41 -17.046 -2.127 2.038 1.00 0.00 N ATOM 640 CA LYS A 41 -17.099 -3.428 2.771 1.00 0.00 C ATOM 641 C LYS A 41 -16.882 -4.625 1.827 1.00 0.00 C ATOM 642 O LYS A 41 -16.627 -5.726 2.279 1.00 0.00 O ATOM 643 CB LYS A 41 -18.489 -3.480 3.426 1.00 0.00 C ATOM 644 CG LYS A 41 -19.586 -3.562 2.361 1.00 0.00 C ATOM 645 CD LYS A 41 -20.946 -3.275 3.003 1.00 0.00 C ATOM 646 CE LYS A 41 -21.030 -1.797 3.408 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.605 -1.806 4.783 1.00 0.00 N ATOM 0 H LYS A 41 -17.948 -1.771 1.723 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.303 -3.493 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.553 -4.344 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.639 -2.594 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.389 -2.844 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.590 -4.551 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.746 -3.516 2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.086 -3.910 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.046 -1.328 3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.661 -1.234 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.693 -0.829 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.544 -2.253 4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.980 -2.343 5.417 1.00 0.00 H new ATOM 661 N LYS A 42 -16.965 -4.430 0.529 1.00 0.00 N ATOM 662 CA LYS A 42 -16.743 -5.575 -0.416 1.00 0.00 C ATOM 663 C LYS A 42 -15.247 -5.722 -0.740 1.00 0.00 C ATOM 664 O LYS A 42 -14.864 -6.521 -1.573 1.00 0.00 O ATOM 665 CB LYS A 42 -17.534 -5.205 -1.678 1.00 0.00 C ATOM 666 CG LYS A 42 -17.569 -6.384 -2.663 1.00 0.00 C ATOM 667 CD LYS A 42 -18.192 -7.620 -1.992 1.00 0.00 C ATOM 668 CE LYS A 42 -19.265 -8.230 -2.904 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.824 -9.634 -3.140 1.00 0.00 N ATOM 0 H LYS A 42 -17.175 -3.535 0.086 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.067 -6.526 0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.551 -4.922 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.079 -4.338 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.146 -6.112 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.559 -6.615 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.418 -8.359 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.633 -7.341 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.247 -8.200 -2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.345 -7.679 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.510 -10.114 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.890 -9.632 -3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.764 -10.136 -2.231 1.00 0.00 H new ATOM 683 N LEU A 43 -14.396 -4.972 -0.078 1.00 0.00 N ATOM 684 CA LEU A 43 -12.932 -5.081 -0.339 1.00 0.00 C ATOM 685 C LEU A 43 -12.264 -5.861 0.794 1.00 0.00 C ATOM 686 O LEU A 43 -11.267 -6.530 0.597 1.00 0.00 O ATOM 687 CB LEU A 43 -12.428 -3.638 -0.377 1.00 0.00 C ATOM 688 CG LEU A 43 -12.583 -3.080 -1.793 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.389 -1.564 -1.769 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.534 -3.714 -2.707 1.00 0.00 C ATOM 0 H LEU A 43 -14.657 -4.289 0.633 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.708 -5.608 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.990 -3.027 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.382 -3.599 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.580 -3.312 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.500 -1.167 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.137 -1.112 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.392 -1.331 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.643 -3.317 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.537 -3.482 -2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.673 -4.795 -2.725 1.00 0.00 H new ATOM 702 N GLY A 44 -12.814 -5.781 1.981 1.00 0.00 N ATOM 703 CA GLY A 44 -12.225 -6.517 3.138 1.00 0.00 C ATOM 704 C GLY A 44 -12.376 -8.023 2.914 1.00 0.00 C ATOM 705 O GLY A 44 -11.573 -8.810 3.379 1.00 0.00 O ATOM 0 H GLY A 44 -13.648 -5.235 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.172 -6.259 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.724 -6.224 4.062 1.00 0.00 H new ATOM 709 N GLU A 45 -13.402 -8.430 2.204 1.00 0.00 N ATOM 710 CA GLU A 45 -13.619 -9.892 1.943 1.00 0.00 C ATOM 711 C GLU A 45 -12.352 -10.534 1.362 1.00 0.00 C ATOM 712 O GLU A 45 -11.947 -11.606 1.770 1.00 0.00 O ATOM 713 CB GLU A 45 -14.760 -9.953 0.924 1.00 0.00 C ATOM 714 CG GLU A 45 -15.361 -11.361 0.915 1.00 0.00 C ATOM 715 CD GLU A 45 -16.259 -11.525 -0.313 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.725 -11.598 -1.407 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.466 -11.573 -0.138 1.00 0.00 O ATOM 0 H GLU A 45 -14.101 -7.812 1.792 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.856 -10.435 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.527 -9.220 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.389 -9.698 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.566 -12.107 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.937 -11.528 1.825 1.00 0.00 H new ATOM 724 N MET A 46 -11.725 -9.877 0.421 1.00 0.00 N ATOM 725 CA MET A 46 -10.479 -10.433 -0.186 1.00 0.00 C ATOM 726 C MET A 46 -9.266 -10.026 0.652 1.00 0.00 C ATOM 727 O MET A 46 -8.371 -10.815 0.890 1.00 0.00 O ATOM 728 CB MET A 46 -10.402 -9.808 -1.580 1.00 0.00 C ATOM 729 CG MET A 46 -11.408 -10.495 -2.505 1.00 0.00 C ATOM 730 SD MET A 46 -11.259 -9.808 -4.173 1.00 0.00 S ATOM 731 CE MET A 46 -11.561 -11.344 -5.079 1.00 0.00 C ATOM 0 H MET A 46 -12.023 -8.977 0.046 1.00 0.00 H new ATOM 0 HA MET A 46 -10.488 -11.522 -0.231 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.614 -8.740 -1.523 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.394 -9.912 -1.981 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.225 -11.569 -2.525 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.421 -10.351 -2.130 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.515 -11.149 -6.151 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.803 -12.080 -4.811 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.548 -11.730 -4.823 1.00 0.00 H new ATOM 741 N TRP A 47 -9.230 -8.794 1.095 1.00 0.00 N ATOM 742 CA TRP A 47 -8.073 -8.314 1.918 1.00 0.00 C ATOM 743 C TRP A 47 -7.862 -9.214 3.143 1.00 0.00 C ATOM 744 O TRP A 47 -6.778 -9.275 3.690 1.00 0.00 O ATOM 745 CB TRP A 47 -8.452 -6.896 2.358 1.00 0.00 C ATOM 746 CG TRP A 47 -7.301 -6.278 3.087 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.276 -6.012 4.414 1.00 0.00 C ATOM 748 CD2 TRP A 47 -6.013 -5.848 2.559 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.055 -5.447 4.733 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.242 -5.324 3.623 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.446 -5.861 1.272 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.953 -4.831 3.419 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.148 -5.365 1.063 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.404 -4.852 2.134 1.00 0.00 C ATOM 0 H TRP A 47 -9.954 -8.096 0.922 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.142 -8.334 1.352 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.714 -6.292 1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.331 -6.926 3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.078 -6.209 5.110 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.787 -5.156 5.673 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.011 -6.254 0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.384 -4.436 4.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.721 -5.379 0.071 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.407 -4.473 1.966 1.00 0.00 H new ATOM 765 N SER A 48 -8.884 -9.912 3.572 1.00 0.00 N ATOM 766 CA SER A 48 -8.736 -10.808 4.758 1.00 0.00 C ATOM 767 C SER A 48 -8.418 -12.233 4.301 1.00 0.00 C ATOM 768 O SER A 48 -7.703 -12.961 4.964 1.00 0.00 O ATOM 769 CB SER A 48 -10.091 -10.760 5.462 1.00 0.00 C ATOM 770 OG SER A 48 -10.036 -11.554 6.640 1.00 0.00 O ATOM 0 H SER A 48 -9.813 -9.900 3.152 1.00 0.00 H new ATOM 0 HA SER A 48 -7.925 -10.495 5.416 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.346 -9.731 5.715 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.872 -11.128 4.797 1.00 0.00 H new ATOM 0 HG SER A 48 -10.903 -11.524 7.095 1.00 0.00 H new ATOM 776 N GLU A 49 -8.940 -12.631 3.168 1.00 0.00 N ATOM 777 CA GLU A 49 -8.666 -14.009 2.656 1.00 0.00 C ATOM 778 C GLU A 49 -7.169 -14.169 2.383 1.00 0.00 C ATOM 779 O GLU A 49 -6.594 -15.216 2.615 1.00 0.00 O ATOM 780 CB GLU A 49 -9.466 -14.125 1.356 1.00 0.00 C ATOM 781 CG GLU A 49 -10.944 -14.347 1.684 1.00 0.00 C ATOM 782 CD GLU A 49 -11.173 -15.816 2.043 1.00 0.00 C ATOM 783 OE1 GLU A 49 -10.998 -16.653 1.173 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.520 -16.080 3.182 1.00 0.00 O ATOM 0 H GLU A 49 -9.544 -12.061 2.575 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.950 -14.782 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.347 -13.219 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.087 -14.953 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.243 -13.708 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.562 -14.070 0.830 1.00 0.00 H new ATOM 791 N GLN A 50 -6.537 -13.131 1.897 1.00 0.00 N ATOM 792 CA GLN A 50 -5.071 -13.205 1.612 1.00 0.00 C ATOM 793 C GLN A 50 -4.300 -13.440 2.910 1.00 0.00 C ATOM 794 O GLN A 50 -4.768 -13.121 3.986 1.00 0.00 O ATOM 795 CB GLN A 50 -4.707 -11.845 1.011 1.00 0.00 C ATOM 796 CG GLN A 50 -5.322 -11.723 -0.384 1.00 0.00 C ATOM 797 CD GLN A 50 -4.596 -12.663 -1.348 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.855 -13.850 -1.367 1.00 0.00 O ATOM 799 NE2 GLN A 50 -3.690 -12.179 -2.153 1.00 0.00 N ATOM 0 H GLN A 50 -6.973 -12.234 1.685 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.823 -14.023 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.072 -11.043 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.624 -11.739 0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.383 -11.971 -0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.247 -10.695 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.473 -11.182 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.199 -12.797 -2.799 1.00 0.00 H new ATOM 808 N SER A 51 -3.119 -13.988 2.810 1.00 0.00 N ATOM 809 CA SER A 51 -2.300 -14.243 4.029 1.00 0.00 C ATOM 810 C SER A 51 -1.174 -13.209 4.110 1.00 0.00 C ATOM 811 O SER A 51 -1.304 -12.108 3.609 1.00 0.00 O ATOM 812 CB SER A 51 -1.742 -15.654 3.839 1.00 0.00 C ATOM 813 OG SER A 51 -2.808 -16.542 3.527 1.00 0.00 O ATOM 0 H SER A 51 -2.685 -14.271 1.932 1.00 0.00 H new ATOM 0 HA SER A 51 -2.873 -14.164 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.002 -15.660 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.234 -15.982 4.746 1.00 0.00 H new ATOM 0 HG SER A 51 -2.454 -17.447 3.403 1.00 0.00 H new ATOM 819 N ALA A 52 -0.072 -13.551 4.728 1.00 0.00 N ATOM 820 CA ALA A 52 1.061 -12.585 4.826 1.00 0.00 C ATOM 821 C ALA A 52 1.920 -12.658 3.560 1.00 0.00 C ATOM 822 O ALA A 52 3.118 -12.859 3.623 1.00 0.00 O ATOM 823 CB ALA A 52 1.861 -13.035 6.050 1.00 0.00 C ATOM 0 H ALA A 52 0.091 -14.457 5.168 1.00 0.00 H new ATOM 0 HA ALA A 52 0.723 -11.553 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.715 -12.372 6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.224 -12.999 6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.214 -14.055 5.899 1.00 0.00 H new ATOM 829 N LYS A 53 1.311 -12.500 2.407 1.00 0.00 N ATOM 830 CA LYS A 53 2.084 -12.565 1.134 1.00 0.00 C ATOM 831 C LYS A 53 1.763 -11.353 0.257 1.00 0.00 C ATOM 832 O LYS A 53 2.648 -10.675 -0.222 1.00 0.00 O ATOM 833 CB LYS A 53 1.618 -13.853 0.455 1.00 0.00 C ATOM 834 CG LYS A 53 2.239 -15.058 1.163 1.00 0.00 C ATOM 835 CD LYS A 53 1.644 -16.347 0.593 1.00 0.00 C ATOM 836 CE LYS A 53 2.171 -17.546 1.383 1.00 0.00 C ATOM 837 NZ LYS A 53 3.509 -17.833 0.796 1.00 0.00 N ATOM 0 H LYS A 53 0.311 -12.329 2.297 1.00 0.00 H new ATOM 0 HA LYS A 53 3.161 -12.558 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.531 -13.920 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.907 -13.847 -0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.321 -15.054 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.050 -15.001 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.556 -16.313 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.908 -16.447 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.247 -17.316 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.506 -18.404 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.787 -18.808 1.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.466 -17.720 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.209 -17.171 1.188 1.00 0.00 H new ATOM 851 N ASP A 54 0.500 -11.092 0.026 1.00 0.00 N ATOM 852 CA ASP A 54 0.115 -9.934 -0.841 1.00 0.00 C ATOM 853 C ASP A 54 0.290 -8.602 -0.103 1.00 0.00 C ATOM 854 O ASP A 54 0.435 -7.565 -0.722 1.00 0.00 O ATOM 855 CB ASP A 54 -1.360 -10.163 -1.180 1.00 0.00 C ATOM 856 CG ASP A 54 -1.757 -9.276 -2.360 1.00 0.00 C ATOM 857 OD1 ASP A 54 -1.232 -9.488 -3.440 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.580 -8.397 -2.163 1.00 0.00 O ATOM 0 H ASP A 54 -0.281 -11.630 0.400 1.00 0.00 H new ATOM 0 HA ASP A 54 0.743 -9.877 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.529 -11.211 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.982 -9.935 -0.315 1.00 0.00 H new ATOM 863 N LYS A 55 0.268 -8.614 1.207 1.00 0.00 N ATOM 864 CA LYS A 55 0.421 -7.338 1.970 1.00 0.00 C ATOM 865 C LYS A 55 1.897 -7.053 2.269 1.00 0.00 C ATOM 866 O LYS A 55 2.334 -5.923 2.210 1.00 0.00 O ATOM 867 CB LYS A 55 -0.353 -7.560 3.271 1.00 0.00 C ATOM 868 CG LYS A 55 -1.859 -7.492 2.995 1.00 0.00 C ATOM 869 CD LYS A 55 -2.427 -8.910 2.888 1.00 0.00 C ATOM 870 CE LYS A 55 -2.554 -9.514 4.289 1.00 0.00 C ATOM 871 NZ LYS A 55 -3.458 -10.686 4.121 1.00 0.00 N ATOM 0 H LYS A 55 0.151 -9.450 1.779 1.00 0.00 H new ATOM 0 HA LYS A 55 0.048 -6.483 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.095 -8.529 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.074 -6.804 4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.361 -6.948 3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.045 -6.944 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.401 -8.887 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.776 -9.529 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.582 -9.817 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.968 -8.793 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.851 -10.957 5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.234 -10.436 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.921 -11.484 3.726 1.00 0.00 H new ATOM 885 N GLN A 56 2.655 -8.065 2.614 1.00 0.00 N ATOM 886 CA GLN A 56 4.112 -7.873 2.951 1.00 0.00 C ATOM 887 C GLN A 56 4.829 -6.930 1.959 1.00 0.00 C ATOM 888 O GLN A 56 5.397 -5.939 2.370 1.00 0.00 O ATOM 889 CB GLN A 56 4.719 -9.274 2.882 1.00 0.00 C ATOM 890 CG GLN A 56 4.645 -9.930 4.263 1.00 0.00 C ATOM 891 CD GLN A 56 5.715 -9.327 5.173 1.00 0.00 C ATOM 892 OE1 GLN A 56 5.403 -8.667 6.144 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.975 -9.526 4.899 1.00 0.00 N ATOM 0 H GLN A 56 2.328 -9.029 2.679 1.00 0.00 H new ATOM 0 HA GLN A 56 4.225 -7.407 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.183 -9.879 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.756 -9.217 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.656 -9.778 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.793 -11.006 4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.238 -10.080 4.084 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.697 -9.128 5.500 1.00 0.00 H new ATOM 902 N PRO A 57 4.790 -7.257 0.685 1.00 0.00 N ATOM 903 CA PRO A 57 5.459 -6.400 -0.327 1.00 0.00 C ATOM 904 C PRO A 57 4.699 -5.081 -0.488 1.00 0.00 C ATOM 905 O PRO A 57 5.287 -4.037 -0.697 1.00 0.00 O ATOM 906 CB PRO A 57 5.396 -7.230 -1.605 1.00 0.00 C ATOM 907 CG PRO A 57 4.230 -8.140 -1.409 1.00 0.00 C ATOM 908 CD PRO A 57 4.140 -8.423 0.067 1.00 0.00 C ATOM 0 HA PRO A 57 6.480 -6.132 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.261 -6.597 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.317 -7.793 -1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.312 -7.675 -1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.362 -9.064 -1.972 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.105 -8.524 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.649 -9.351 0.329 1.00 0.00 H new ATOM 916 N TYR A 58 3.396 -5.126 -0.391 1.00 0.00 N ATOM 917 CA TYR A 58 2.585 -3.879 -0.534 1.00 0.00 C ATOM 918 C TYR A 58 2.674 -3.020 0.741 1.00 0.00 C ATOM 919 O TYR A 58 2.237 -1.884 0.758 1.00 0.00 O ATOM 920 CB TYR A 58 1.148 -4.366 -0.767 1.00 0.00 C ATOM 921 CG TYR A 58 0.540 -3.623 -1.934 1.00 0.00 C ATOM 922 CD1 TYR A 58 1.031 -3.836 -3.229 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.511 -2.725 -1.724 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.472 -3.148 -4.312 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.071 -2.037 -2.808 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.580 -2.249 -4.102 1.00 0.00 C ATOM 927 OH TYR A 58 -1.133 -1.572 -5.169 1.00 0.00 O ATOM 0 H TYR A 58 2.857 -5.974 -0.218 1.00 0.00 H new ATOM 0 HA TYR A 58 2.940 -3.251 -1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.145 -5.438 -0.965 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.550 -4.206 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.841 -4.531 -3.391 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.891 -2.562 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.852 -3.311 -5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.882 -1.343 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.853 -0.989 -4.849 1.00 0.00 H new ATOM 937 N GLU A 59 3.240 -3.548 1.803 1.00 0.00 N ATOM 938 CA GLU A 59 3.358 -2.757 3.068 1.00 0.00 C ATOM 939 C GLU A 59 4.490 -1.733 2.942 1.00 0.00 C ATOM 940 O GLU A 59 4.283 -0.545 3.089 1.00 0.00 O ATOM 941 CB GLU A 59 3.694 -3.780 4.158 1.00 0.00 C ATOM 942 CG GLU A 59 2.409 -4.418 4.689 1.00 0.00 C ATOM 943 CD GLU A 59 1.771 -3.498 5.733 1.00 0.00 C ATOM 944 OE1 GLU A 59 2.508 -2.813 6.424 1.00 0.00 O ATOM 945 OE2 GLU A 59 0.554 -3.496 5.828 1.00 0.00 O ATOM 0 H GLU A 59 3.624 -4.492 1.846 1.00 0.00 H new ATOM 0 HA GLU A 59 2.443 -2.208 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.353 -4.550 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.232 -3.294 4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.712 -4.592 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.630 -5.389 5.132 1.00 0.00 H new ATOM 952 N GLN A 60 5.691 -2.195 2.683 1.00 0.00 N ATOM 953 CA GLN A 60 6.864 -1.265 2.556 1.00 0.00 C ATOM 954 C GLN A 60 6.549 -0.086 1.623 1.00 0.00 C ATOM 955 O GLN A 60 7.104 0.987 1.767 1.00 0.00 O ATOM 956 CB GLN A 60 8.000 -2.120 1.980 1.00 0.00 C ATOM 957 CG GLN A 60 7.575 -2.725 0.640 1.00 0.00 C ATOM 958 CD GLN A 60 8.797 -3.322 -0.062 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.231 -2.821 -1.080 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.372 -4.379 0.443 1.00 0.00 N ATOM 0 H GLN A 60 5.912 -3.182 2.553 1.00 0.00 H new ATOM 0 HA GLN A 60 7.127 -0.827 3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.893 -1.509 1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.259 -2.914 2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.822 -3.496 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.119 -1.960 0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.007 -4.799 1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.187 -4.785 -0.017 1.00 0.00 H new ATOM 969 N LYS A 61 5.663 -0.275 0.675 1.00 0.00 N ATOM 970 CA LYS A 61 5.313 0.842 -0.263 1.00 0.00 C ATOM 971 C LYS A 61 4.789 2.042 0.526 1.00 0.00 C ATOM 972 O LYS A 61 5.286 3.145 0.394 1.00 0.00 O ATOM 973 CB LYS A 61 4.222 0.274 -1.178 1.00 0.00 C ATOM 974 CG LYS A 61 3.810 1.332 -2.205 1.00 0.00 C ATOM 975 CD LYS A 61 2.993 0.672 -3.317 1.00 0.00 C ATOM 976 CE LYS A 61 3.130 1.489 -4.605 1.00 0.00 C ATOM 977 NZ LYS A 61 2.046 0.989 -5.495 1.00 0.00 N ATOM 0 H LYS A 61 5.168 -1.151 0.509 1.00 0.00 H new ATOM 0 HA LYS A 61 6.174 1.188 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.588 -0.618 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.358 -0.029 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.223 2.113 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.695 1.811 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.341 -0.348 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.945 0.608 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.020 2.556 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.111 1.348 -5.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.075 1.502 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.181 -0.027 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.124 1.143 -5.039 1.00 0.00 H new ATOM 991 N ALA A 62 3.802 1.831 1.356 1.00 0.00 N ATOM 992 CA ALA A 62 3.259 2.958 2.170 1.00 0.00 C ATOM 993 C ALA A 62 4.237 3.328 3.292 1.00 0.00 C ATOM 994 O ALA A 62 4.083 4.345 3.941 1.00 0.00 O ATOM 995 CB ALA A 62 1.946 2.442 2.756 1.00 0.00 C ATOM 0 H ALA A 62 3.349 0.929 1.505 1.00 0.00 H new ATOM 0 HA ALA A 62 3.109 3.855 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.490 3.220 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.267 2.172 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.142 1.565 3.372 1.00 0.00 H new ATOM 1001 N ALA A 63 5.255 2.526 3.509 1.00 0.00 N ATOM 1002 CA ALA A 63 6.250 2.853 4.569 1.00 0.00 C ATOM 1003 C ALA A 63 7.290 3.846 4.028 1.00 0.00 C ATOM 1004 O ALA A 63 8.186 4.258 4.741 1.00 0.00 O ATOM 1005 CB ALA A 63 6.913 1.520 4.919 1.00 0.00 C ATOM 0 H ALA A 63 5.435 1.663 2.997 1.00 0.00 H new ATOM 0 HA ALA A 63 5.788 3.317 5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.661 1.679 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.158 0.822 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.393 1.108 4.031 1.00 0.00 H new ATOM 1011 N LYS A 64 7.174 4.248 2.779 1.00 0.00 N ATOM 1012 CA LYS A 64 8.142 5.223 2.201 1.00 0.00 C ATOM 1013 C LYS A 64 7.481 6.595 2.078 1.00 0.00 C ATOM 1014 O LYS A 64 8.129 7.622 2.150 1.00 0.00 O ATOM 1015 CB LYS A 64 8.448 4.674 0.813 1.00 0.00 C ATOM 1016 CG LYS A 64 9.417 3.498 0.928 1.00 0.00 C ATOM 1017 CD LYS A 64 10.805 4.007 1.340 1.00 0.00 C ATOM 1018 CE LYS A 64 11.414 3.060 2.377 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.717 3.681 2.745 1.00 0.00 N ATOM 0 H LYS A 64 6.444 3.937 2.138 1.00 0.00 H new ATOM 0 HA LYS A 64 9.036 5.341 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.527 4.353 0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.882 5.456 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.049 2.782 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.480 2.972 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.454 4.071 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.726 5.013 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.766 2.957 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.555 2.061 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.196 3.089 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.316 3.760 1.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.551 4.628 3.141 1.00 0.00 H new ATOM 1033 N LEU A 65 6.185 6.608 1.919 1.00 0.00 N ATOM 1034 CA LEU A 65 5.442 7.897 1.818 1.00 0.00 C ATOM 1035 C LEU A 65 5.041 8.388 3.216 1.00 0.00 C ATOM 1036 O LEU A 65 4.605 9.512 3.379 1.00 0.00 O ATOM 1037 CB LEU A 65 4.200 7.572 0.989 1.00 0.00 C ATOM 1038 CG LEU A 65 4.545 7.651 -0.496 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.098 6.303 -0.963 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.285 7.988 -1.296 1.00 0.00 C ATOM 0 H LEU A 65 5.604 5.772 1.854 1.00 0.00 H new ATOM 0 HA LEU A 65 6.042 8.686 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.835 6.575 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.399 8.272 1.225 1.00 0.00 H new ATOM 0 HG LEU A 65 5.294 8.427 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.345 6.359 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.996 6.061 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.348 5.528 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.531 8.044 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.536 7.212 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.889 8.948 -0.964 1.00 0.00 H new ATOM 1052 N LYS A 66 5.197 7.560 4.227 1.00 0.00 N ATOM 1053 CA LYS A 66 4.841 7.988 5.608 1.00 0.00 C ATOM 1054 C LYS A 66 5.980 8.828 6.183 1.00 0.00 C ATOM 1055 O LYS A 66 5.761 9.746 6.951 1.00 0.00 O ATOM 1056 CB LYS A 66 4.675 6.689 6.401 1.00 0.00 C ATOM 1057 CG LYS A 66 4.268 7.015 7.839 1.00 0.00 C ATOM 1058 CD LYS A 66 2.745 6.959 7.965 1.00 0.00 C ATOM 1059 CE LYS A 66 2.295 5.503 8.102 1.00 0.00 C ATOM 1060 NZ LYS A 66 0.873 5.577 8.539 1.00 0.00 N ATOM 0 H LYS A 66 5.556 6.608 4.148 1.00 0.00 H new ATOM 0 HA LYS A 66 3.935 8.594 5.642 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.919 6.059 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.608 6.126 6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.727 6.305 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.630 8.006 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.420 7.534 8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.281 7.413 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.390 4.970 7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.904 4.969 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.495 4.615 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.814 6.083 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.316 6.084 7.823 1.00 0.00 H new ATOM 1074 N GLU A 67 7.196 8.522 5.803 1.00 0.00 N ATOM 1075 CA GLU A 67 8.358 9.306 6.313 1.00 0.00 C ATOM 1076 C GLU A 67 8.305 10.723 5.741 1.00 0.00 C ATOM 1077 O GLU A 67 8.220 11.693 6.468 1.00 0.00 O ATOM 1078 CB GLU A 67 9.599 8.568 5.810 1.00 0.00 C ATOM 1079 CG GLU A 67 9.971 7.461 6.798 1.00 0.00 C ATOM 1080 CD GLU A 67 10.478 8.089 8.099 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.663 8.370 8.175 1.00 0.00 O ATOM 1082 OE2 GLU A 67 9.673 8.276 8.996 1.00 0.00 O ATOM 0 H GLU A 67 7.432 7.764 5.163 1.00 0.00 H new ATOM 0 HA GLU A 67 8.360 9.391 7.400 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.407 8.142 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.430 9.265 5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.104 6.832 6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.739 6.818 6.368 1.00 0.00 H new ATOM 1089 N LYS A 68 8.350 10.844 4.437 1.00 0.00 N ATOM 1090 CA LYS A 68 8.302 12.199 3.799 1.00 0.00 C ATOM 1091 C LYS A 68 7.034 12.949 4.221 1.00 0.00 C ATOM 1092 O LYS A 68 6.996 14.162 4.216 1.00 0.00 O ATOM 1093 CB LYS A 68 8.286 11.935 2.292 1.00 0.00 C ATOM 1094 CG LYS A 68 9.582 11.232 1.882 1.00 0.00 C ATOM 1095 CD LYS A 68 10.607 12.273 1.431 1.00 0.00 C ATOM 1096 CE LYS A 68 10.211 12.818 0.056 1.00 0.00 C ATOM 1097 NZ LYS A 68 11.330 13.721 -0.336 1.00 0.00 N ATOM 0 H LYS A 68 8.418 10.063 3.785 1.00 0.00 H new ATOM 0 HA LYS A 68 9.149 12.817 4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.427 11.318 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.182 12.874 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.977 10.657 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.386 10.526 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.658 13.086 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.600 11.825 1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.082 12.012 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.265 13.358 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.132 14.134 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.424 14.482 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.216 13.178 -0.379 1.00 0.00 H new ATOM 1111 N TYR A 69 6.002 12.236 4.596 1.00 0.00 N ATOM 1112 CA TYR A 69 4.741 12.911 5.031 1.00 0.00 C ATOM 1113 C TYR A 69 4.946 13.533 6.418 1.00 0.00 C ATOM 1114 O TYR A 69 4.935 14.737 6.578 1.00 0.00 O ATOM 1115 CB TYR A 69 3.686 11.789 5.073 1.00 0.00 C ATOM 1116 CG TYR A 69 2.376 12.294 5.655 1.00 0.00 C ATOM 1117 CD1 TYR A 69 1.856 13.537 5.266 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.681 11.509 6.584 1.00 0.00 C ATOM 1119 CE1 TYR A 69 0.648 13.993 5.807 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.472 11.965 7.124 1.00 0.00 C ATOM 1121 CZ TYR A 69 -0.044 13.207 6.736 1.00 0.00 C ATOM 1122 OH TYR A 69 -1.235 13.657 7.269 1.00 0.00 O ATOM 0 H TYR A 69 5.978 11.217 4.620 1.00 0.00 H new ATOM 0 HA TYR A 69 4.436 13.717 4.364 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.517 11.406 4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.058 10.958 5.672 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.388 14.143 4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.078 10.551 6.884 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.250 14.951 5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.062 11.358 7.840 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.585 12.991 7.896 1.00 0.00 H new ATOM 1132 N GLU A 70 5.132 12.707 7.413 1.00 0.00 N ATOM 1133 CA GLU A 70 5.337 13.225 8.802 1.00 0.00 C ATOM 1134 C GLU A 70 6.596 14.101 8.893 1.00 0.00 C ATOM 1135 O GLU A 70 6.774 14.834 9.848 1.00 0.00 O ATOM 1136 CB GLU A 70 5.499 11.976 9.673 1.00 0.00 C ATOM 1137 CG GLU A 70 4.176 11.210 9.721 1.00 0.00 C ATOM 1138 CD GLU A 70 4.312 10.015 10.665 1.00 0.00 C ATOM 1139 OE1 GLU A 70 4.886 9.021 10.253 1.00 0.00 O ATOM 1140 OE2 GLU A 70 3.839 10.114 11.786 1.00 0.00 O ATOM 0 H GLU A 70 5.151 11.691 7.325 1.00 0.00 H new ATOM 0 HA GLU A 70 4.503 13.851 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.286 11.338 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.804 12.260 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.376 11.867 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.905 10.869 8.722 1.00 0.00 H new ATOM 1147 N LYS A 71 7.474 14.028 7.919 1.00 0.00 N ATOM 1148 CA LYS A 71 8.723 14.853 7.969 1.00 0.00 C ATOM 1149 C LYS A 71 8.576 16.133 7.140 1.00 0.00 C ATOM 1150 O LYS A 71 9.263 17.111 7.376 1.00 0.00 O ATOM 1151 CB LYS A 71 9.806 13.957 7.372 1.00 0.00 C ATOM 1152 CG LYS A 71 11.180 14.412 7.871 1.00 0.00 C ATOM 1153 CD LYS A 71 12.259 13.481 7.314 1.00 0.00 C ATOM 1154 CE LYS A 71 12.299 12.194 8.140 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.111 12.534 9.342 1.00 0.00 N ATOM 0 H LYS A 71 7.379 13.435 7.095 1.00 0.00 H new ATOM 0 HA LYS A 71 8.955 15.171 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.630 12.919 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.770 14.001 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.372 15.438 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.204 14.403 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.050 13.249 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.230 13.975 7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.296 11.873 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.750 11.377 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.996 11.989 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.330 13.551 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.574 12.301 10.201 1.00 0.00 H new ATOM 1169 N ASP A 72 7.699 16.134 6.168 1.00 0.00 N ATOM 1170 CA ASP A 72 7.522 17.355 5.319 1.00 0.00 C ATOM 1171 C ASP A 72 6.246 18.107 5.705 1.00 0.00 C ATOM 1172 O ASP A 72 6.168 19.314 5.571 1.00 0.00 O ATOM 1173 CB ASP A 72 7.420 16.833 3.885 1.00 0.00 C ATOM 1174 CG ASP A 72 7.546 18.001 2.906 1.00 0.00 C ATOM 1175 OD1 ASP A 72 6.693 18.872 2.942 1.00 0.00 O ATOM 1176 OD2 ASP A 72 8.493 18.004 2.137 1.00 0.00 O ATOM 0 H ASP A 72 7.099 15.346 5.925 1.00 0.00 H new ATOM 0 HA ASP A 72 8.347 18.057 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.205 16.101 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.467 16.324 3.739 1.00 0.00 H new ATOM 1181 N ILE A 73 5.244 17.407 6.177 1.00 0.00 N ATOM 1182 CA ILE A 73 3.971 18.091 6.563 1.00 0.00 C ATOM 1183 C ILE A 73 4.217 19.054 7.733 1.00 0.00 C ATOM 1184 O ILE A 73 3.521 20.040 7.891 1.00 0.00 O ATOM 1185 CB ILE A 73 3.000 16.961 6.949 1.00 0.00 C ATOM 1186 CG1 ILE A 73 1.595 17.543 7.119 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.438 16.291 8.257 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.002 17.847 5.742 1.00 0.00 C ATOM 0 H ILE A 73 5.252 16.396 6.311 1.00 0.00 H new ATOM 0 HA ILE A 73 3.563 18.696 5.753 1.00 0.00 H new ATOM 0 HB ILE A 73 3.002 16.210 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.959 16.837 7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.636 18.452 7.719 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.737 15.495 8.511 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.436 15.870 8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.452 17.031 9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.001 18.262 5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.635 18.568 5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.947 16.928 5.158 1.00 0.00 H new