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 -61:sc= 0.256 USER MOD Single : A 20 CYS SG : rot 180:sc= -3.01! USER MOD Single : A 21 SER OG : rot 180:sc= 0 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+ -164:sc=-0.00631 (180deg=-0.256) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.231 K(o=-0.23,f=-2.8) USER MOD Single : A 35 SER OG : rot 180:sc= -0.159 USER MOD Single : A 39 THR OG1 : rot 121:sc= -0.462 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 161:sc= 0 (180deg=-0.0218) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.713 K(o=-0.71,f=-4.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 58 TYR OH : rot 30:sc=-0.00611 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+ -177:sc= 0 (180deg=-0.0056) 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 2.573 16.830 1.435 1.00 0.00 N ATOM 137 CA PRO A 9 2.390 15.359 1.504 1.00 0.00 C ATOM 138 C PRO A 9 0.964 15.018 1.946 1.00 0.00 C ATOM 139 O PRO A 9 0.535 15.382 3.025 1.00 0.00 O ATOM 140 CB PRO A 9 3.415 14.912 2.543 1.00 0.00 C ATOM 141 CG PRO A 9 3.649 16.116 3.397 1.00 0.00 C ATOM 142 CD PRO A 9 3.437 17.324 2.521 1.00 0.00 C ATOM 0 HA PRO A 9 2.532 14.864 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.040 14.076 3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.338 14.579 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.962 16.128 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.659 16.108 3.806 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.962 18.137 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.381 17.709 2.136 1.00 0.00 H new ATOM 150 N LYS A 10 0.229 14.320 1.115 1.00 0.00 N ATOM 151 CA LYS A 10 -1.170 13.948 1.476 1.00 0.00 C ATOM 152 C LYS A 10 -1.166 13.031 2.702 1.00 0.00 C ATOM 153 O LYS A 10 -0.163 12.893 3.374 1.00 0.00 O ATOM 154 CB LYS A 10 -1.730 13.213 0.248 1.00 0.00 C ATOM 155 CG LYS A 10 -0.870 11.978 -0.069 1.00 0.00 C ATOM 156 CD LYS A 10 -0.212 12.138 -1.444 1.00 0.00 C ATOM 157 CE LYS A 10 0.656 10.913 -1.739 1.00 0.00 C ATOM 158 NZ LYS A 10 1.267 11.186 -3.070 1.00 0.00 N ATOM 0 H LYS A 10 0.541 13.992 0.201 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.776 14.818 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.760 12.910 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.746 13.884 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.105 11.851 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.488 11.080 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.976 12.250 -2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.397 13.042 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.420 10.777 -0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.059 10.001 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.878 10.389 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.516 11.304 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.835 12.056 -3.019 1.00 0.00 H new ATOM 172 N ARG A 11 -2.277 12.403 2.994 1.00 0.00 N ATOM 173 CA ARG A 11 -2.335 11.491 4.179 1.00 0.00 C ATOM 174 C ARG A 11 -1.328 10.343 4.011 1.00 0.00 C ATOM 175 O ARG A 11 -1.094 9.894 2.905 1.00 0.00 O ATOM 176 CB ARG A 11 -3.764 10.946 4.199 1.00 0.00 C ATOM 177 CG ARG A 11 -4.654 11.873 5.028 1.00 0.00 C ATOM 178 CD ARG A 11 -4.928 13.157 4.240 1.00 0.00 C ATOM 179 NE ARG A 11 -5.859 13.942 5.096 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.149 13.793 4.964 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.764 12.837 5.604 1.00 0.00 N ATOM 182 NH2 ARG A 11 -7.824 14.600 4.191 1.00 0.00 N ATOM 0 H ARG A 11 -3.145 12.482 2.465 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.084 12.007 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.149 10.869 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.775 9.941 4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.593 11.374 5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.168 12.111 5.974 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.007 13.708 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.374 12.937 3.270 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.489 14.596 5.786 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.237 12.206 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.772 12.721 5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.343 15.347 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.832 14.483 4.088 1.00 0.00 H new ATOM 196 N PRO A 12 -0.757 9.894 5.109 1.00 0.00 N ATOM 197 CA PRO A 12 0.224 8.787 5.040 1.00 0.00 C ATOM 198 C PRO A 12 -0.500 7.451 4.783 1.00 0.00 C ATOM 199 O PRO A 12 -1.386 7.089 5.532 1.00 0.00 O ATOM 200 CB PRO A 12 0.877 8.791 6.417 1.00 0.00 C ATOM 201 CG PRO A 12 -0.131 9.417 7.325 1.00 0.00 C ATOM 202 CD PRO A 12 -0.962 10.357 6.492 1.00 0.00 C ATOM 0 HA PRO A 12 0.948 8.907 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.123 7.779 6.739 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.808 9.359 6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.759 8.654 7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.363 9.955 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.014 10.315 6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.640 11.391 6.618 1.00 0.00 H new ATOM 210 N PRO A 13 -0.109 6.754 3.735 1.00 0.00 N ATOM 211 CA PRO A 13 -0.755 5.463 3.418 1.00 0.00 C ATOM 212 C PRO A 13 -0.157 4.350 4.282 1.00 0.00 C ATOM 213 O PRO A 13 0.717 4.591 5.094 1.00 0.00 O ATOM 214 CB PRO A 13 -0.429 5.251 1.944 1.00 0.00 C ATOM 215 CG PRO A 13 0.822 6.037 1.688 1.00 0.00 C ATOM 216 CD PRO A 13 0.944 7.088 2.766 1.00 0.00 C ATOM 0 HA PRO A 13 -1.828 5.456 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.279 4.194 1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.245 5.596 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.692 5.381 1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.784 6.504 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.930 7.066 3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.805 8.090 2.360 1.00 0.00 H new ATOM 224 N SER A 14 -0.624 3.137 4.120 1.00 0.00 N ATOM 225 CA SER A 14 -0.082 2.009 4.940 1.00 0.00 C ATOM 226 C SER A 14 -0.568 0.660 4.399 1.00 0.00 C ATOM 227 O SER A 14 -1.265 -0.073 5.076 1.00 0.00 O ATOM 228 CB SER A 14 -0.625 2.250 6.349 1.00 0.00 C ATOM 229 OG SER A 14 -0.126 1.247 7.223 1.00 0.00 O ATOM 0 H SER A 14 -1.355 2.879 3.457 1.00 0.00 H new ATOM 0 HA SER A 14 1.007 1.976 4.919 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.327 3.237 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.715 2.231 6.339 1.00 0.00 H new ATOM 0 HG SER A 14 -0.423 0.366 6.913 1.00 0.00 H new ATOM 235 N ALA A 15 -0.217 0.321 3.176 1.00 0.00 N ATOM 236 CA ALA A 15 -0.651 -0.980 2.561 1.00 0.00 C ATOM 237 C ALA A 15 -2.154 -0.965 2.279 1.00 0.00 C ATOM 238 O ALA A 15 -2.567 -0.796 1.147 1.00 0.00 O ATOM 239 CB ALA A 15 -0.277 -2.103 3.545 1.00 0.00 C ATOM 0 H ALA A 15 0.362 0.901 2.569 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.152 -1.141 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.578 -3.065 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.801 -2.100 3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.788 -1.941 4.494 1.00 0.00 H new ATOM 245 N PHE A 16 -2.981 -1.150 3.283 1.00 0.00 N ATOM 246 CA PHE A 16 -4.468 -1.154 3.059 1.00 0.00 C ATOM 247 C PHE A 16 -4.907 0.068 2.244 1.00 0.00 C ATOM 248 O PHE A 16 -5.663 -0.044 1.296 1.00 0.00 O ATOM 249 CB PHE A 16 -5.076 -1.094 4.460 1.00 0.00 C ATOM 250 CG PHE A 16 -6.498 -1.600 4.418 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.475 -0.888 3.712 1.00 0.00 C ATOM 252 CD2 PHE A 16 -6.840 -2.783 5.085 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.793 -1.357 3.673 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.158 -3.252 5.046 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.135 -2.540 4.340 1.00 0.00 C ATOM 0 H PHE A 16 -2.692 -1.299 4.250 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.787 -2.033 2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.485 -1.697 5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.055 -0.070 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.211 0.024 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.087 -3.333 5.629 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.546 -0.807 3.129 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.422 -4.164 5.561 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.152 -2.903 4.310 1.00 0.00 H new ATOM 265 N PHE A 17 -4.434 1.231 2.608 1.00 0.00 N ATOM 266 CA PHE A 17 -4.815 2.467 1.862 1.00 0.00 C ATOM 267 C PHE A 17 -4.379 2.359 0.398 1.00 0.00 C ATOM 268 O PHE A 17 -4.976 2.955 -0.479 1.00 0.00 O ATOM 269 CB PHE A 17 -4.067 3.607 2.558 1.00 0.00 C ATOM 270 CG PHE A 17 -4.906 4.863 2.510 1.00 0.00 C ATOM 271 CD1 PHE A 17 -5.079 5.543 1.299 1.00 0.00 C ATOM 272 CD2 PHE A 17 -5.507 5.346 3.677 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.856 6.706 1.256 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.284 6.510 3.634 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.458 7.190 2.423 1.00 0.00 C ATOM 0 H PHE A 17 -3.798 1.379 3.392 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.893 2.628 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.854 3.338 3.593 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.108 3.779 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.613 5.170 0.399 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.372 4.821 4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.991 7.230 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.749 6.883 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.057 8.088 2.389 1.00 0.00 H new ATOM 285 N LEU A 18 -3.334 1.613 0.127 1.00 0.00 N ATOM 286 CA LEU A 18 -2.848 1.477 -1.282 1.00 0.00 C ATOM 287 C LEU A 18 -3.637 0.391 -2.020 1.00 0.00 C ATOM 288 O LEU A 18 -3.894 0.499 -3.204 1.00 0.00 O ATOM 289 CB LEU A 18 -1.366 1.061 -1.185 1.00 0.00 C ATOM 290 CG LEU A 18 -0.594 1.945 -0.189 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.884 1.554 -0.210 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.730 3.422 -0.580 1.00 0.00 C ATOM 0 H LEU A 18 -2.797 1.093 0.821 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.975 2.410 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.300 0.018 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.903 1.130 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.005 1.800 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.435 2.177 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.987 0.507 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.284 1.699 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.180 4.039 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.324 3.572 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.782 3.706 -0.569 1.00 0.00 H new ATOM 304 N PHE A 19 -4.007 -0.660 -1.332 1.00 0.00 N ATOM 305 CA PHE A 19 -4.766 -1.768 -1.995 1.00 0.00 C ATOM 306 C PHE A 19 -6.199 -1.331 -2.308 1.00 0.00 C ATOM 307 O PHE A 19 -6.660 -1.449 -3.428 1.00 0.00 O ATOM 308 CB PHE A 19 -4.770 -2.914 -0.981 1.00 0.00 C ATOM 309 CG PHE A 19 -5.321 -4.160 -1.630 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.490 -4.965 -2.420 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.663 -4.512 -1.444 1.00 0.00 C ATOM 312 CE1 PHE A 19 -5.001 -6.120 -3.022 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.174 -5.669 -2.046 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.343 -6.472 -2.836 1.00 0.00 C ATOM 0 H PHE A 19 -3.817 -0.800 -0.340 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.312 -2.059 -2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.758 -3.097 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.374 -2.645 -0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.455 -4.694 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.305 -3.891 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.360 -6.740 -3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.209 -5.941 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.737 -7.363 -3.302 1.00 0.00 H new ATOM 324 N CYS A 20 -6.909 -0.832 -1.327 1.00 0.00 N ATOM 325 CA CYS A 20 -8.322 -0.390 -1.562 1.00 0.00 C ATOM 326 C CYS A 20 -8.382 0.658 -2.678 1.00 0.00 C ATOM 327 O CYS A 20 -9.099 0.503 -3.648 1.00 0.00 O ATOM 328 CB CYS A 20 -8.779 0.218 -0.234 1.00 0.00 C ATOM 329 SG CYS A 20 -10.554 0.568 -0.311 1.00 0.00 S ATOM 0 H CYS A 20 -6.572 -0.711 -0.372 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.959 -1.218 -1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.568 -0.470 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.225 1.135 -0.031 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.944 1.083 0.817 1.00 0.00 H new ATOM 335 N SER A 21 -7.637 1.725 -2.542 1.00 0.00 N ATOM 336 CA SER A 21 -7.647 2.798 -3.590 1.00 0.00 C ATOM 337 C SER A 21 -7.311 2.220 -4.972 1.00 0.00 C ATOM 338 O SER A 21 -7.665 2.786 -5.989 1.00 0.00 O ATOM 339 CB SER A 21 -6.571 3.793 -3.155 1.00 0.00 C ATOM 340 OG SER A 21 -6.706 4.990 -3.910 1.00 0.00 O ATOM 0 H SER A 21 -7.020 1.903 -1.750 1.00 0.00 H new ATOM 0 HA SER A 21 -8.629 3.264 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.667 4.008 -2.091 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.580 3.364 -3.306 1.00 0.00 H new ATOM 0 HG SER A 21 -6.019 5.631 -3.633 1.00 0.00 H new ATOM 346 N GLU A 22 -6.623 1.106 -5.015 1.00 0.00 N ATOM 347 CA GLU A 22 -6.254 0.498 -6.329 1.00 0.00 C ATOM 348 C GLU A 22 -7.215 -0.638 -6.707 1.00 0.00 C ATOM 349 O GLU A 22 -7.324 -1.001 -7.862 1.00 0.00 O ATOM 350 CB GLU A 22 -4.844 -0.048 -6.127 1.00 0.00 C ATOM 351 CG GLU A 22 -3.818 1.041 -6.453 1.00 0.00 C ATOM 352 CD GLU A 22 -3.888 1.380 -7.943 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.378 0.601 -8.732 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.450 2.413 -8.270 1.00 0.00 O ATOM 0 H GLU A 22 -6.301 0.591 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.308 1.227 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.718 -0.384 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.684 -0.915 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.016 1.932 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.816 0.700 -6.194 1.00 0.00 H new ATOM 361 N TYR A 23 -7.902 -1.207 -5.745 1.00 0.00 N ATOM 362 CA TYR A 23 -8.842 -2.329 -6.060 1.00 0.00 C ATOM 363 C TYR A 23 -10.295 -1.838 -6.130 1.00 0.00 C ATOM 364 O TYR A 23 -11.217 -2.631 -6.091 1.00 0.00 O ATOM 365 CB TYR A 23 -8.670 -3.323 -4.910 1.00 0.00 C ATOM 366 CG TYR A 23 -7.636 -4.358 -5.288 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.291 -3.990 -5.411 1.00 0.00 C ATOM 368 CD2 TYR A 23 -8.024 -5.684 -5.518 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.334 -4.949 -5.763 1.00 0.00 C ATOM 370 CE2 TYR A 23 -7.066 -6.642 -5.870 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.720 -6.275 -5.992 1.00 0.00 C ATOM 372 OH TYR A 23 -4.777 -7.219 -6.339 1.00 0.00 O ATOM 0 H TYR A 23 -7.853 -0.945 -4.761 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.624 -2.773 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.361 -2.799 -4.005 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.621 -3.808 -4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.992 -2.967 -5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.062 -5.967 -5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.296 -4.665 -5.858 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.365 -7.664 -6.048 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.213 -8.088 -6.460 1.00 0.00 H new ATOM 382 N ARG A 24 -10.509 -0.549 -6.237 1.00 0.00 N ATOM 383 CA ARG A 24 -11.901 -0.024 -6.316 1.00 0.00 C ATOM 384 C ARG A 24 -12.400 0.127 -7.768 1.00 0.00 C ATOM 385 O ARG A 24 -13.533 -0.214 -8.027 1.00 0.00 O ATOM 386 CB ARG A 24 -11.867 1.335 -5.634 1.00 0.00 C ATOM 387 CG ARG A 24 -11.949 1.153 -4.116 1.00 0.00 C ATOM 388 CD ARG A 24 -11.478 2.435 -3.417 1.00 0.00 C ATOM 389 NE ARG A 24 -12.684 2.963 -2.719 1.00 0.00 N ATOM 390 CZ ARG A 24 -13.306 4.009 -3.192 1.00 0.00 C ATOM 391 NH1 ARG A 24 -14.036 3.903 -4.268 1.00 0.00 N ATOM 392 NH2 ARG A 24 -13.196 5.161 -2.588 1.00 0.00 N ATOM 0 H ARG A 24 -9.777 0.160 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.590 -0.720 -5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.950 1.862 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.698 1.948 -5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.973 0.922 -3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.331 0.310 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.674 2.226 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.091 3.157 -4.136 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.024 2.507 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.121 3.003 -4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.522 4.720 -4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.624 5.243 -1.747 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.682 5.979 -2.957 1.00 0.00 H new ATOM 406 N PRO A 25 -11.576 0.641 -8.678 1.00 0.00 N ATOM 407 CA PRO A 25 -12.044 0.821 -10.082 1.00 0.00 C ATOM 408 C PRO A 25 -12.276 -0.536 -10.747 1.00 0.00 C ATOM 409 O PRO A 25 -12.981 -0.637 -11.734 1.00 0.00 O ATOM 410 CB PRO A 25 -10.923 1.610 -10.752 1.00 0.00 C ATOM 411 CG PRO A 25 -9.709 1.330 -9.935 1.00 0.00 C ATOM 412 CD PRO A 25 -10.173 1.069 -8.524 1.00 0.00 C ATOM 0 HA PRO A 25 -12.998 1.343 -10.154 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.783 1.295 -11.786 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.148 2.676 -10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.170 0.468 -10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.022 2.176 -9.964 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.572 0.297 -8.043 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.095 1.964 -7.907 1.00 0.00 H new ATOM 420 N LYS A 26 -11.721 -1.587 -10.193 1.00 0.00 N ATOM 421 CA LYS A 26 -11.946 -2.943 -10.768 1.00 0.00 C ATOM 422 C LYS A 26 -13.384 -3.357 -10.470 1.00 0.00 C ATOM 423 O LYS A 26 -14.118 -3.788 -11.339 1.00 0.00 O ATOM 424 CB LYS A 26 -10.973 -3.856 -10.025 1.00 0.00 C ATOM 425 CG LYS A 26 -10.902 -5.213 -10.728 1.00 0.00 C ATOM 426 CD LYS A 26 -12.050 -6.101 -10.243 1.00 0.00 C ATOM 427 CE LYS A 26 -11.727 -7.564 -10.551 1.00 0.00 C ATOM 428 NZ LYS A 26 -13.050 -8.212 -10.772 1.00 0.00 N ATOM 0 H LYS A 26 -11.122 -1.561 -9.367 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.790 -2.984 -11.846 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.984 -3.400 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.298 -3.987 -8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.964 -5.078 -11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.945 -5.692 -10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.199 -5.968 -9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.980 -5.812 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.093 -7.651 -11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.191 -8.032 -9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.911 -9.220 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.630 -8.119 -9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.534 -7.750 -11.568 1.00 0.00 H new ATOM 442 N ILE A 27 -13.785 -3.220 -9.233 1.00 0.00 N ATOM 443 CA ILE A 27 -15.177 -3.589 -8.827 1.00 0.00 C ATOM 444 C ILE A 27 -16.201 -2.835 -9.671 1.00 0.00 C ATOM 445 O ILE A 27 -17.304 -3.296 -9.884 1.00 0.00 O ATOM 446 CB ILE A 27 -15.324 -3.117 -7.365 1.00 0.00 C ATOM 447 CG1 ILE A 27 -14.224 -3.695 -6.454 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.692 -3.539 -6.830 1.00 0.00 C ATOM 449 CD1 ILE A 27 -14.093 -5.205 -6.647 1.00 0.00 C ATOM 0 H ILE A 27 -13.201 -2.864 -8.476 1.00 0.00 H new ATOM 0 HA ILE A 27 -15.345 -4.659 -8.953 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.227 -2.031 -7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.272 -3.212 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.457 -3.477 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.797 -3.206 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.476 -3.088 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.780 -4.625 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.310 -5.589 -5.993 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.039 -5.687 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.836 -5.418 -7.685 1.00 0.00 H new ATOM 461 N LYS A 28 -15.853 -1.658 -10.108 1.00 0.00 N ATOM 462 CA LYS A 28 -16.824 -0.832 -10.889 1.00 0.00 C ATOM 463 C LYS A 28 -16.985 -1.398 -12.302 1.00 0.00 C ATOM 464 O LYS A 28 -18.057 -1.354 -12.875 1.00 0.00 O ATOM 465 CB LYS A 28 -16.277 0.618 -10.950 1.00 0.00 C ATOM 466 CG LYS A 28 -15.488 1.043 -9.691 1.00 0.00 C ATOM 467 CD LYS A 28 -16.190 0.643 -8.381 1.00 0.00 C ATOM 468 CE LYS A 28 -17.616 1.201 -8.356 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.453 2.664 -8.125 1.00 0.00 N ATOM 0 H LYS A 28 -14.939 -1.229 -9.960 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.802 -0.846 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.630 0.716 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.111 1.305 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.497 0.590 -9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.345 2.123 -9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.215 -0.443 -8.289 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.628 1.022 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.133 1.005 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.207 0.740 -7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.362 3.072 -7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.743 2.821 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.140 3.122 -9.005 1.00 0.00 H new ATOM 483 N SER A 29 -15.930 -1.925 -12.867 1.00 0.00 N ATOM 484 CA SER A 29 -16.020 -2.494 -14.248 1.00 0.00 C ATOM 485 C SER A 29 -16.995 -3.676 -14.283 1.00 0.00 C ATOM 486 O SER A 29 -17.540 -4.007 -15.319 1.00 0.00 O ATOM 487 CB SER A 29 -14.603 -2.960 -14.586 1.00 0.00 C ATOM 488 OG SER A 29 -14.527 -3.266 -15.972 1.00 0.00 O ATOM 0 H SER A 29 -15.009 -1.987 -12.433 1.00 0.00 H new ATOM 0 HA SER A 29 -16.390 -1.760 -14.964 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.882 -2.182 -14.334 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.345 -3.838 -13.993 1.00 0.00 H new ATOM 0 HG SER A 29 -13.620 -3.564 -16.192 1.00 0.00 H new ATOM 494 N GLU A 30 -17.210 -4.320 -13.162 1.00 0.00 N ATOM 495 CA GLU A 30 -18.142 -5.489 -13.130 1.00 0.00 C ATOM 496 C GLU A 30 -19.331 -5.226 -12.193 1.00 0.00 C ATOM 497 O GLU A 30 -20.337 -5.907 -12.262 1.00 0.00 O ATOM 498 CB GLU A 30 -17.293 -6.647 -12.606 1.00 0.00 C ATOM 499 CG GLU A 30 -16.807 -7.503 -13.778 1.00 0.00 C ATOM 500 CD GLU A 30 -17.966 -8.352 -14.304 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.294 -9.335 -13.662 1.00 0.00 O ATOM 502 OE2 GLU A 30 -18.506 -8.003 -15.341 1.00 0.00 O ATOM 0 H GLU A 30 -16.780 -4.086 -12.267 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.569 -5.695 -14.112 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.440 -6.261 -12.047 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.877 -7.256 -11.916 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.420 -6.865 -14.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.987 -8.146 -13.457 1.00 0.00 H new ATOM 509 N HIS A 31 -19.229 -4.246 -11.329 1.00 0.00 N ATOM 510 CA HIS A 31 -20.366 -3.946 -10.401 1.00 0.00 C ATOM 511 C HIS A 31 -20.734 -2.458 -10.502 1.00 0.00 C ATOM 512 O HIS A 31 -20.127 -1.633 -9.850 1.00 0.00 O ATOM 513 CB HIS A 31 -19.875 -4.280 -8.983 1.00 0.00 C ATOM 514 CG HIS A 31 -19.280 -5.664 -8.938 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.913 -5.877 -9.012 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.849 -6.908 -8.824 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.705 -7.203 -8.941 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.852 -7.880 -8.825 1.00 0.00 N ATOM 0 H HIS A 31 -18.413 -3.643 -11.225 1.00 0.00 H new ATOM 0 HA HIS A 31 -21.253 -4.528 -10.652 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.131 -3.548 -8.669 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.705 -4.213 -8.280 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -17.195 -5.158 -9.104 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.908 -7.103 -8.746 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.730 -7.665 -8.974 1.00 0.00 H new ATOM 526 N PRO A 32 -21.715 -2.155 -11.323 1.00 0.00 N ATOM 527 CA PRO A 32 -22.141 -0.746 -11.495 1.00 0.00 C ATOM 528 C PRO A 32 -22.944 -0.282 -10.281 1.00 0.00 C ATOM 529 O PRO A 32 -22.852 0.856 -9.863 1.00 0.00 O ATOM 530 CB PRO A 32 -23.011 -0.780 -12.746 1.00 0.00 C ATOM 531 CG PRO A 32 -23.513 -2.187 -12.846 1.00 0.00 C ATOM 532 CD PRO A 32 -22.514 -3.075 -12.153 1.00 0.00 C ATOM 0 HA PRO A 32 -21.304 -0.054 -11.588 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.837 -0.073 -12.669 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.437 -0.504 -13.631 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.494 -2.278 -12.380 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.627 -2.480 -13.890 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -23.010 -3.830 -11.543 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.889 -3.606 -12.871 1.00 0.00 H new ATOM 540 N GLY A 33 -23.726 -1.161 -9.715 1.00 0.00 N ATOM 541 CA GLY A 33 -24.540 -0.790 -8.524 1.00 0.00 C ATOM 542 C GLY A 33 -23.644 -0.701 -7.279 1.00 0.00 C ATOM 543 O GLY A 33 -24.019 -0.108 -6.290 1.00 0.00 O ATOM 0 H GLY A 33 -23.836 -2.125 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.034 0.166 -8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -25.324 -1.530 -8.365 1.00 0.00 H new ATOM 547 N LEU A 34 -22.476 -1.301 -7.320 1.00 0.00 N ATOM 548 CA LEU A 34 -21.549 -1.271 -6.137 1.00 0.00 C ATOM 549 C LEU A 34 -21.218 0.172 -5.723 1.00 0.00 C ATOM 550 O LEU A 34 -20.200 0.717 -6.108 1.00 0.00 O ATOM 551 CB LEU A 34 -20.273 -1.997 -6.610 1.00 0.00 C ATOM 552 CG LEU A 34 -20.050 -3.291 -5.808 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.746 -2.944 -4.351 1.00 0.00 C ATOM 554 CD2 LEU A 34 -21.298 -4.184 -5.875 1.00 0.00 C ATOM 0 H LEU A 34 -22.121 -1.814 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 34 -22.000 -1.745 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.355 -2.231 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.411 -1.339 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.208 -3.832 -6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.588 -3.861 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.847 -2.329 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.585 -2.394 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -21.124 -5.095 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -22.151 -3.650 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.506 -4.442 -6.914 1.00 0.00 H new ATOM 566 N SER A 35 -22.068 0.788 -4.941 1.00 0.00 N ATOM 567 CA SER A 35 -21.806 2.190 -4.494 1.00 0.00 C ATOM 568 C SER A 35 -20.679 2.195 -3.458 1.00 0.00 C ATOM 569 O SER A 35 -20.191 1.154 -3.063 1.00 0.00 O ATOM 570 CB SER A 35 -23.116 2.665 -3.866 1.00 0.00 C ATOM 571 OG SER A 35 -22.964 4.005 -3.417 1.00 0.00 O ATOM 0 H SER A 35 -22.935 0.379 -4.592 1.00 0.00 H new ATOM 0 HA SER A 35 -21.498 2.839 -5.314 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.925 2.603 -4.594 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.388 2.019 -3.032 1.00 0.00 H new ATOM 0 HG SER A 35 -23.803 4.313 -3.015 1.00 0.00 H new ATOM 577 N ILE A 36 -20.261 3.357 -3.014 1.00 0.00 N ATOM 578 CA ILE A 36 -19.159 3.423 -1.998 1.00 0.00 C ATOM 579 C ILE A 36 -19.537 2.607 -0.756 1.00 0.00 C ATOM 580 O ILE A 36 -18.684 2.072 -0.073 1.00 0.00 O ATOM 581 CB ILE A 36 -19.011 4.912 -1.647 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.570 5.702 -2.890 1.00 0.00 C ATOM 583 CG2 ILE A 36 -17.970 5.082 -0.531 1.00 0.00 C ATOM 584 CD1 ILE A 36 -17.221 5.180 -3.404 1.00 0.00 C ATOM 0 H ILE A 36 -20.633 4.260 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.226 3.009 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.973 5.293 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.324 5.612 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.488 6.761 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.869 6.139 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.293 4.534 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.009 4.694 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.922 5.749 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.467 5.293 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.315 4.127 -3.668 1.00 0.00 H new ATOM 596 N GLY A 37 -20.808 2.512 -0.463 1.00 0.00 N ATOM 597 CA GLY A 37 -21.251 1.732 0.730 1.00 0.00 C ATOM 598 C GLY A 37 -20.786 0.281 0.592 1.00 0.00 C ATOM 599 O GLY A 37 -19.972 -0.191 1.358 1.00 0.00 O ATOM 0 H GLY A 37 -21.560 2.943 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.840 2.172 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.337 1.770 0.820 1.00 0.00 H new ATOM 603 N ASP A 38 -21.294 -0.420 -0.386 1.00 0.00 N ATOM 604 CA ASP A 38 -20.884 -1.843 -0.586 1.00 0.00 C ATOM 605 C ASP A 38 -19.449 -1.920 -1.118 1.00 0.00 C ATOM 606 O ASP A 38 -18.724 -2.841 -0.814 1.00 0.00 O ATOM 607 CB ASP A 38 -21.868 -2.402 -1.619 1.00 0.00 C ATOM 608 CG ASP A 38 -22.963 -3.201 -0.908 1.00 0.00 C ATOM 609 OD1 ASP A 38 -22.673 -4.300 -0.464 1.00 0.00 O ATOM 610 OD2 ASP A 38 -24.072 -2.700 -0.821 1.00 0.00 O ATOM 0 H ASP A 38 -21.977 -0.069 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.905 -2.407 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.312 -1.587 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.342 -3.040 -2.329 1.00 0.00 H new ATOM 615 N THR A 39 -19.031 -0.950 -1.889 1.00 0.00 N ATOM 616 CA THR A 39 -17.633 -0.968 -2.428 1.00 0.00 C ATOM 617 C THR A 39 -16.632 -0.792 -1.285 1.00 0.00 C ATOM 618 O THR A 39 -15.535 -1.320 -1.322 1.00 0.00 O ATOM 619 CB THR A 39 -17.554 0.209 -3.407 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.490 0.009 -4.456 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.143 0.299 -3.997 1.00 0.00 C ATOM 0 H THR A 39 -19.594 -0.147 -2.170 1.00 0.00 H new ATOM 0 HA THR A 39 -17.394 -1.910 -2.921 1.00 0.00 H new ATOM 0 HB THR A 39 -17.783 1.134 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.123 0.757 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.092 1.137 -4.692 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.422 0.449 -3.194 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.910 -0.625 -4.525 1.00 0.00 H new ATOM 629 N ALA A 40 -17.004 -0.056 -0.272 1.00 0.00 N ATOM 630 CA ALA A 40 -16.079 0.160 0.879 1.00 0.00 C ATOM 631 C ALA A 40 -15.961 -1.125 1.701 1.00 0.00 C ATOM 632 O ALA A 40 -14.912 -1.431 2.238 1.00 0.00 O ATOM 633 CB ALA A 40 -16.723 1.271 1.711 1.00 0.00 C ATOM 0 H ALA A 40 -17.910 0.406 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.074 0.430 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.098 1.485 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.821 2.170 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.709 0.950 2.046 1.00 0.00 H new ATOM 639 N LYS A 41 -17.031 -1.870 1.812 1.00 0.00 N ATOM 640 CA LYS A 41 -16.989 -3.133 2.612 1.00 0.00 C ATOM 641 C LYS A 41 -16.781 -4.368 1.718 1.00 0.00 C ATOM 642 O LYS A 41 -16.482 -5.440 2.211 1.00 0.00 O ATOM 643 CB LYS A 41 -18.334 -3.201 3.354 1.00 0.00 C ATOM 644 CG LYS A 41 -19.493 -3.375 2.366 1.00 0.00 C ATOM 645 CD LYS A 41 -20.820 -3.116 3.084 1.00 0.00 C ATOM 646 CE LYS A 41 -20.922 -1.636 3.481 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.303 -1.645 4.922 1.00 0.00 N ATOM 0 H LYS A 41 -17.932 -1.659 1.384 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.148 -3.130 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.324 -4.032 4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.480 -2.291 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.379 -2.685 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.483 -4.383 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.653 -3.385 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.892 -3.745 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.974 -1.121 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.668 -1.117 2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.391 -0.667 5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.213 -2.136 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.571 -2.139 5.472 1.00 0.00 H new ATOM 661 N LYS A 42 -16.920 -4.235 0.417 1.00 0.00 N ATOM 662 CA LYS A 42 -16.710 -5.417 -0.482 1.00 0.00 C ATOM 663 C LYS A 42 -15.219 -5.577 -0.823 1.00 0.00 C ATOM 664 O LYS A 42 -14.846 -6.433 -1.602 1.00 0.00 O ATOM 665 CB LYS A 42 -17.530 -5.113 -1.745 1.00 0.00 C ATOM 666 CG LYS A 42 -17.523 -6.317 -2.700 1.00 0.00 C ATOM 667 CD LYS A 42 -18.063 -7.563 -1.985 1.00 0.00 C ATOM 668 CE LYS A 42 -18.939 -8.371 -2.944 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.609 -9.795 -2.661 1.00 0.00 N ATOM 0 H LYS A 42 -17.168 -3.366 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.023 -6.349 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.555 -4.868 -1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.118 -4.239 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.133 -6.099 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.509 -6.503 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.235 -8.177 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.642 -7.269 -1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.997 -8.170 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.727 -8.116 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.172 -10.412 -3.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.597 -9.958 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.828 -10.011 -1.667 1.00 0.00 H new ATOM 683 N LEU A 43 -14.360 -4.777 -0.234 1.00 0.00 N ATOM 684 CA LEU A 43 -12.901 -4.901 -0.514 1.00 0.00 C ATOM 685 C LEU A 43 -12.225 -5.640 0.642 1.00 0.00 C ATOM 686 O LEU A 43 -11.278 -6.381 0.451 1.00 0.00 O ATOM 687 CB LEU A 43 -12.389 -3.463 -0.612 1.00 0.00 C ATOM 688 CG LEU A 43 -12.626 -2.933 -2.026 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.424 -1.416 -2.044 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.633 -3.589 -2.988 1.00 0.00 C ATOM 0 H LEU A 43 -14.611 -4.044 0.429 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.692 -5.461 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.902 -2.833 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.326 -3.427 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.644 -3.168 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.593 -1.038 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.129 -0.947 -1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.406 -1.181 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.801 -3.212 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.615 -3.353 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.775 -4.670 -2.976 1.00 0.00 H new ATOM 702 N GLY A 44 -12.715 -5.445 1.840 1.00 0.00 N ATOM 703 CA GLY A 44 -12.121 -6.134 3.021 1.00 0.00 C ATOM 704 C GLY A 44 -12.359 -7.640 2.903 1.00 0.00 C ATOM 705 O GLY A 44 -11.575 -8.441 3.374 1.00 0.00 O ATOM 0 H GLY A 44 -13.505 -4.835 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.052 -5.927 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.568 -5.755 3.940 1.00 0.00 H new ATOM 709 N GLU A 45 -13.443 -8.033 2.273 1.00 0.00 N ATOM 710 CA GLU A 45 -13.749 -9.493 2.117 1.00 0.00 C ATOM 711 C GLU A 45 -12.551 -10.236 1.511 1.00 0.00 C ATOM 712 O GLU A 45 -12.212 -11.327 1.929 1.00 0.00 O ATOM 713 CB GLU A 45 -14.947 -9.553 1.164 1.00 0.00 C ATOM 714 CG GLU A 45 -15.774 -10.804 1.463 1.00 0.00 C ATOM 715 CD GLU A 45 -15.046 -12.038 0.926 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.188 -12.319 -0.253 1.00 0.00 O ATOM 717 OE2 GLU A 45 -14.359 -12.681 1.703 1.00 0.00 O ATOM 0 H GLU A 45 -14.131 -7.403 1.859 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.962 -9.966 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.562 -8.661 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.602 -9.570 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.932 -10.900 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.759 -10.721 1.003 1.00 0.00 H new ATOM 724 N MET A 46 -11.909 -9.646 0.535 1.00 0.00 N ATOM 725 CA MET A 46 -10.730 -10.305 -0.098 1.00 0.00 C ATOM 726 C MET A 46 -9.458 -9.960 0.679 1.00 0.00 C ATOM 727 O MET A 46 -8.618 -10.806 0.922 1.00 0.00 O ATOM 728 CB MET A 46 -10.663 -9.731 -1.514 1.00 0.00 C ATOM 729 CG MET A 46 -11.906 -10.158 -2.297 1.00 0.00 C ATOM 730 SD MET A 46 -11.649 -11.814 -2.979 1.00 0.00 S ATOM 731 CE MET A 46 -13.380 -12.173 -3.364 1.00 0.00 C ATOM 0 H MET A 46 -12.152 -8.734 0.149 1.00 0.00 H new ATOM 0 HA MET A 46 -10.818 -11.391 -0.105 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.601 -8.643 -1.474 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.763 -10.084 -2.019 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.779 -10.153 -1.645 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.104 -9.449 -3.101 1.00 0.00 H new ATOM 0 HE1 MET A 46 -13.431 -12.985 -4.089 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.902 -12.467 -2.453 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.852 -11.284 -3.782 1.00 0.00 H new ATOM 741 N TRP A 47 -9.311 -8.716 1.069 1.00 0.00 N ATOM 742 CA TRP A 47 -8.090 -8.300 1.832 1.00 0.00 C ATOM 743 C TRP A 47 -7.917 -9.160 3.090 1.00 0.00 C ATOM 744 O TRP A 47 -6.822 -9.301 3.605 1.00 0.00 O ATOM 745 CB TRP A 47 -8.329 -6.838 2.215 1.00 0.00 C ATOM 746 CG TRP A 47 -7.102 -6.290 2.872 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.009 -5.946 4.177 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.797 -6.025 2.284 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.728 -5.486 4.427 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.944 -5.514 3.291 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.274 -6.175 0.987 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.619 -5.166 3.021 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.942 -5.825 0.712 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.116 -5.321 1.727 1.00 0.00 C ATOM 0 H TRP A 47 -9.984 -7.970 0.892 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.184 -8.424 1.239 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.572 -6.253 1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.181 -6.762 2.890 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.804 -6.018 4.904 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.403 -5.165 5.339 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.901 -6.562 0.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.987 -4.780 3.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.551 -5.945 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.093 -5.053 1.509 1.00 0.00 H new ATOM 765 N SER A 48 -8.983 -9.737 3.586 1.00 0.00 N ATOM 766 CA SER A 48 -8.878 -10.590 4.808 1.00 0.00 C ATOM 767 C SER A 48 -8.498 -12.020 4.417 1.00 0.00 C ATOM 768 O SER A 48 -7.763 -12.689 5.119 1.00 0.00 O ATOM 769 CB SER A 48 -10.271 -10.556 5.435 1.00 0.00 C ATOM 770 OG SER A 48 -10.224 -11.172 6.715 1.00 0.00 O ATOM 0 H SER A 48 -9.922 -9.654 3.197 1.00 0.00 H new ATOM 0 HA SER A 48 -8.114 -10.235 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.616 -9.526 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.984 -11.075 4.794 1.00 0.00 H new ATOM 0 HG SER A 48 -11.116 -11.151 7.121 1.00 0.00 H new ATOM 776 N GLU A 49 -8.992 -12.487 3.298 1.00 0.00 N ATOM 777 CA GLU A 49 -8.660 -13.875 2.850 1.00 0.00 C ATOM 778 C GLU A 49 -7.158 -13.988 2.579 1.00 0.00 C ATOM 779 O GLU A 49 -6.554 -15.021 2.800 1.00 0.00 O ATOM 780 CB GLU A 49 -9.455 -14.086 1.560 1.00 0.00 C ATOM 781 CG GLU A 49 -10.940 -14.244 1.895 1.00 0.00 C ATOM 782 CD GLU A 49 -11.744 -14.380 0.601 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.889 -13.386 -0.092 1.00 0.00 O ATOM 784 OE2 GLU A 49 -12.201 -15.476 0.323 1.00 0.00 O ATOM 0 H GLU A 49 -9.611 -11.968 2.675 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.910 -14.623 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.311 -13.239 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.093 -14.972 1.038 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.090 -15.122 2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.289 -13.382 2.463 1.00 0.00 H new ATOM 791 N GLN A 50 -6.555 -12.927 2.106 1.00 0.00 N ATOM 792 CA GLN A 50 -5.087 -12.959 1.821 1.00 0.00 C ATOM 793 C GLN A 50 -4.305 -13.187 3.116 1.00 0.00 C ATOM 794 O GLN A 50 -4.741 -12.811 4.188 1.00 0.00 O ATOM 795 CB GLN A 50 -4.758 -11.584 1.234 1.00 0.00 C ATOM 796 CG GLN A 50 -5.492 -11.407 -0.096 1.00 0.00 C ATOM 797 CD GLN A 50 -4.829 -12.277 -1.165 1.00 0.00 C ATOM 798 OE1 GLN A 50 -3.630 -12.220 -1.353 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.563 -13.086 -1.879 1.00 0.00 N ATOM 0 H GLN A 50 -7.015 -12.039 1.905 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.820 -13.765 1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.053 -10.800 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.683 -11.489 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.540 -11.685 0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.470 -10.360 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.570 -13.134 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.130 -13.670 -2.594 1.00 0.00 H new ATOM 808 N SER A 51 -3.153 -13.796 3.018 1.00 0.00 N ATOM 809 CA SER A 51 -2.327 -14.048 4.233 1.00 0.00 C ATOM 810 C SER A 51 -1.176 -13.040 4.289 1.00 0.00 C ATOM 811 O SER A 51 -1.278 -11.949 3.759 1.00 0.00 O ATOM 812 CB SER A 51 -1.799 -15.473 4.060 1.00 0.00 C ATOM 813 OG SER A 51 -0.888 -15.507 2.970 1.00 0.00 O ATOM 0 H SER A 51 -2.748 -14.131 2.144 1.00 0.00 H new ATOM 0 HA SER A 51 -2.891 -13.940 5.159 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.304 -15.803 4.973 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.626 -16.160 3.880 1.00 0.00 H new ATOM 0 HG SER A 51 -0.546 -16.419 2.857 1.00 0.00 H new ATOM 819 N ALA A 52 -0.082 -13.393 4.916 1.00 0.00 N ATOM 820 CA ALA A 52 1.076 -12.452 4.993 1.00 0.00 C ATOM 821 C ALA A 52 1.910 -12.539 3.710 1.00 0.00 C ATOM 822 O ALA A 52 3.096 -12.806 3.748 1.00 0.00 O ATOM 823 CB ALA A 52 1.889 -12.923 6.200 1.00 0.00 C ATOM 0 H ALA A 52 0.059 -14.292 5.377 1.00 0.00 H new ATOM 0 HA ALA A 52 0.762 -11.413 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.761 -12.280 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.271 -12.874 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.216 -13.950 6.040 1.00 0.00 H new ATOM 829 N LYS A 53 1.294 -12.320 2.573 1.00 0.00 N ATOM 830 CA LYS A 53 2.044 -12.393 1.284 1.00 0.00 C ATOM 831 C LYS A 53 1.702 -11.187 0.404 1.00 0.00 C ATOM 832 O LYS A 53 2.577 -10.503 -0.090 1.00 0.00 O ATOM 833 CB LYS A 53 1.565 -13.689 0.625 1.00 0.00 C ATOM 834 CG LYS A 53 2.754 -14.410 -0.015 1.00 0.00 C ATOM 835 CD LYS A 53 2.257 -15.647 -0.765 1.00 0.00 C ATOM 836 CE LYS A 53 3.363 -16.705 -0.797 1.00 0.00 C ATOM 837 NZ LYS A 53 2.884 -17.731 -1.765 1.00 0.00 N ATOM 0 H LYS A 53 0.303 -12.094 2.484 1.00 0.00 H new ATOM 0 HA LYS A 53 3.124 -12.382 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.093 -14.333 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.811 -13.468 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.273 -13.740 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.472 -14.701 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.369 -16.049 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.968 -15.377 -1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.312 -16.274 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.524 -17.138 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.589 -18.491 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.982 -18.128 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.746 -17.291 -2.697 1.00 0.00 H new ATOM 851 N ASP A 54 0.435 -10.928 0.203 1.00 0.00 N ATOM 852 CA ASP A 54 0.026 -9.770 -0.651 1.00 0.00 C ATOM 853 C ASP A 54 0.391 -8.445 0.026 1.00 0.00 C ATOM 854 O ASP A 54 0.589 -7.443 -0.634 1.00 0.00 O ATOM 855 CB ASP A 54 -1.493 -9.894 -0.796 1.00 0.00 C ATOM 856 CG ASP A 54 -1.967 -9.023 -1.962 1.00 0.00 C ATOM 857 OD1 ASP A 54 -1.670 -9.369 -3.093 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.620 -8.025 -1.702 1.00 0.00 O ATOM 0 H ASP A 54 -0.336 -11.469 0.594 1.00 0.00 H new ATOM 0 HA ASP A 54 0.531 -9.780 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.769 -10.934 -0.970 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.984 -9.584 0.127 1.00 0.00 H new ATOM 863 N LYS A 55 0.476 -8.433 1.332 1.00 0.00 N ATOM 864 CA LYS A 55 0.824 -7.168 2.046 1.00 0.00 C ATOM 865 C LYS A 55 2.338 -6.954 2.058 1.00 0.00 C ATOM 866 O LYS A 55 2.803 -5.844 1.969 1.00 0.00 O ATOM 867 CB LYS A 55 0.305 -7.351 3.473 1.00 0.00 C ATOM 868 CG LYS A 55 -0.188 -6.006 4.012 1.00 0.00 C ATOM 869 CD LYS A 55 -0.195 -6.041 5.542 1.00 0.00 C ATOM 870 CE LYS A 55 -1.483 -6.705 6.033 1.00 0.00 C ATOM 871 NZ LYS A 55 -1.278 -6.906 7.495 1.00 0.00 N ATOM 0 H LYS A 55 0.320 -9.242 1.933 1.00 0.00 H new ATOM 0 HA LYS A 55 0.384 -6.298 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.506 -8.080 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.096 -7.743 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.458 -5.202 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.190 -5.797 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.672 -6.591 5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.121 -5.029 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.351 -6.075 5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.657 -7.653 5.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.120 -7.358 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.449 -7.515 7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.121 -5.986 7.953 1.00 0.00 H new ATOM 885 N GLN A 56 3.105 -8.008 2.191 1.00 0.00 N ATOM 886 CA GLN A 56 4.607 -7.878 2.237 1.00 0.00 C ATOM 887 C GLN A 56 5.148 -6.893 1.174 1.00 0.00 C ATOM 888 O GLN A 56 5.897 -5.996 1.506 1.00 0.00 O ATOM 889 CB GLN A 56 5.129 -9.291 1.962 1.00 0.00 C ATOM 890 CG GLN A 56 5.487 -9.976 3.283 1.00 0.00 C ATOM 891 CD GLN A 56 6.449 -11.134 3.014 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.568 -11.132 3.487 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.057 -12.131 2.269 1.00 0.00 N ATOM 0 H GLN A 56 2.758 -8.964 2.271 1.00 0.00 H new ATOM 0 HA GLN A 56 4.934 -7.480 3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.373 -9.872 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.006 -9.246 1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.946 -9.259 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.584 -10.345 3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.117 -12.132 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.690 -12.909 2.084 1.00 0.00 H new ATOM 902 N PRO A 57 4.771 -7.091 -0.070 1.00 0.00 N ATOM 903 CA PRO A 57 5.256 -6.198 -1.154 1.00 0.00 C ATOM 904 C PRO A 57 4.494 -4.862 -1.179 1.00 0.00 C ATOM 905 O PRO A 57 5.059 -3.826 -1.473 1.00 0.00 O ATOM 906 CB PRO A 57 4.965 -6.986 -2.423 1.00 0.00 C ATOM 907 CG PRO A 57 3.829 -7.890 -2.070 1.00 0.00 C ATOM 908 CD PRO A 57 3.887 -8.146 -0.586 1.00 0.00 C ATOM 0 HA PRO A 57 6.307 -5.938 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.700 -6.323 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.838 -7.556 -2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.878 -7.432 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.901 -8.827 -2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.897 -8.092 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.283 -9.138 -0.369 1.00 0.00 H new ATOM 916 N TYR A 58 3.212 -4.887 -0.913 1.00 0.00 N ATOM 917 CA TYR A 58 2.399 -3.626 -0.964 1.00 0.00 C ATOM 918 C TYR A 58 2.469 -2.828 0.353 1.00 0.00 C ATOM 919 O TYR A 58 2.010 -1.702 0.417 1.00 0.00 O ATOM 920 CB TYR A 58 0.961 -4.107 -1.224 1.00 0.00 C ATOM 921 CG TYR A 58 0.364 -3.346 -2.386 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.553 -3.809 -3.693 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.379 -2.183 -2.155 1.00 0.00 C ATOM 924 CE1 TYR A 58 -0.001 -3.107 -4.771 1.00 0.00 C ATOM 925 CE2 TYR A 58 -0.933 -1.482 -3.232 1.00 0.00 C ATOM 926 CZ TYR A 58 -0.743 -1.944 -4.540 1.00 0.00 C ATOM 927 OH TYR A 58 -1.291 -1.252 -5.602 1.00 0.00 O ATOM 0 H TYR A 58 2.690 -5.726 -0.662 1.00 0.00 H new ATOM 0 HA TYR A 58 2.770 -2.948 -1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.959 -5.176 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.353 -3.960 -0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.126 -4.707 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.525 -1.827 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.145 -3.463 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.507 -0.585 -3.054 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.498 -1.877 -6.328 1.00 0.00 H new ATOM 937 N GLU A 59 3.017 -3.395 1.399 1.00 0.00 N ATOM 938 CA GLU A 59 3.085 -2.662 2.702 1.00 0.00 C ATOM 939 C GLU A 59 4.329 -1.761 2.761 1.00 0.00 C ATOM 940 O GLU A 59 4.343 -0.759 3.452 1.00 0.00 O ATOM 941 CB GLU A 59 3.130 -3.761 3.780 1.00 0.00 C ATOM 942 CG GLU A 59 4.452 -4.538 3.705 1.00 0.00 C ATOM 943 CD GLU A 59 5.429 -3.992 4.747 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.212 -4.240 5.922 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.378 -3.333 4.353 1.00 0.00 O ATOM 0 H GLU A 59 3.420 -4.332 1.408 1.00 0.00 H new ATOM 0 HA GLU A 59 2.232 -1.998 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.021 -3.314 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.292 -4.445 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.272 -5.599 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.882 -4.449 2.707 1.00 0.00 H new ATOM 952 N GLN A 60 5.367 -2.110 2.043 1.00 0.00 N ATOM 953 CA GLN A 60 6.609 -1.275 2.056 1.00 0.00 C ATOM 954 C GLN A 60 6.420 0.003 1.226 1.00 0.00 C ATOM 955 O GLN A 60 7.163 0.957 1.370 1.00 0.00 O ATOM 956 CB GLN A 60 7.704 -2.160 1.449 1.00 0.00 C ATOM 957 CG GLN A 60 7.314 -2.584 0.030 1.00 0.00 C ATOM 958 CD GLN A 60 8.565 -3.027 -0.732 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.130 -2.265 -1.492 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.024 -4.236 -0.560 1.00 0.00 N ATOM 0 H GLN A 60 5.409 -2.937 1.448 1.00 0.00 H new ATOM 0 HA GLN A 60 6.864 -0.952 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.650 -1.618 1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.856 -3.042 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.591 -3.399 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.833 -1.755 -0.490 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.550 -4.876 0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.857 -4.542 -1.063 1.00 0.00 H new ATOM 969 N LYS A 61 5.434 0.032 0.361 1.00 0.00 N ATOM 970 CA LYS A 61 5.199 1.251 -0.477 1.00 0.00 C ATOM 971 C LYS A 61 4.798 2.432 0.409 1.00 0.00 C ATOM 972 O LYS A 61 5.283 3.535 0.237 1.00 0.00 O ATOM 973 CB LYS A 61 4.058 0.863 -1.431 1.00 0.00 C ATOM 974 CG LYS A 61 3.658 2.062 -2.295 1.00 0.00 C ATOM 975 CD LYS A 61 2.825 1.581 -3.484 1.00 0.00 C ATOM 976 CE LYS A 61 2.870 2.629 -4.597 1.00 0.00 C ATOM 977 NZ LYS A 61 2.213 1.977 -5.765 1.00 0.00 N ATOM 0 H LYS A 61 4.782 -0.736 0.199 1.00 0.00 H new ATOM 0 HA LYS A 61 6.091 1.561 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.372 0.036 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.198 0.516 -0.858 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.086 2.776 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.548 2.582 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.211 0.630 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.794 1.409 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.344 3.538 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.896 2.915 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.205 2.635 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.739 1.118 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.236 1.723 -5.516 1.00 0.00 H new ATOM 991 N ALA A 62 3.929 2.209 1.359 1.00 0.00 N ATOM 992 CA ALA A 62 3.510 3.321 2.264 1.00 0.00 C ATOM 993 C ALA A 62 4.607 3.609 3.298 1.00 0.00 C ATOM 994 O ALA A 62 4.573 4.617 3.978 1.00 0.00 O ATOM 995 CB ALA A 62 2.241 2.821 2.952 1.00 0.00 C ATOM 0 H ALA A 62 3.492 1.307 1.548 1.00 0.00 H new ATOM 0 HA ALA A 62 3.337 4.249 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.872 3.586 3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.480 2.607 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.464 1.912 3.511 1.00 0.00 H new ATOM 1001 N ALA A 63 5.579 2.732 3.424 1.00 0.00 N ATOM 1002 CA ALA A 63 6.673 2.960 4.415 1.00 0.00 C ATOM 1003 C ALA A 63 7.428 4.249 4.089 1.00 0.00 C ATOM 1004 O ALA A 63 7.770 5.009 4.976 1.00 0.00 O ATOM 1005 CB ALA A 63 7.600 1.749 4.285 1.00 0.00 C ATOM 0 H ALA A 63 5.658 1.871 2.883 1.00 0.00 H new ATOM 0 HA ALA A 63 6.286 3.066 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.429 1.849 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.043 0.839 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.989 1.696 3.268 1.00 0.00 H new ATOM 1011 N LYS A 64 7.688 4.512 2.829 1.00 0.00 N ATOM 1012 CA LYS A 64 8.422 5.766 2.466 1.00 0.00 C ATOM 1013 C LYS A 64 7.524 6.980 2.715 1.00 0.00 C ATOM 1014 O LYS A 64 7.832 7.837 3.519 1.00 0.00 O ATOM 1015 CB LYS A 64 8.743 5.633 0.976 1.00 0.00 C ATOM 1016 CG LYS A 64 9.638 4.413 0.753 1.00 0.00 C ATOM 1017 CD LYS A 64 11.058 4.727 1.226 1.00 0.00 C ATOM 1018 CE LYS A 64 12.030 3.699 0.640 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.883 2.495 1.505 1.00 0.00 N ATOM 0 H LYS A 64 7.426 3.918 2.043 1.00 0.00 H new ATOM 0 HA LYS A 64 9.326 5.903 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.822 5.531 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.243 6.534 0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.243 3.555 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.647 4.143 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.343 5.732 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.103 4.707 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.786 3.472 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.054 4.072 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.555 1.763 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.079 2.752 2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.913 2.129 1.428 1.00 0.00 H new ATOM 1033 N LEU A 65 6.416 7.059 2.016 1.00 0.00 N ATOM 1034 CA LEU A 65 5.472 8.220 2.181 1.00 0.00 C ATOM 1035 C LEU A 65 5.204 8.544 3.662 1.00 0.00 C ATOM 1036 O LEU A 65 4.868 9.663 4.001 1.00 0.00 O ATOM 1037 CB LEU A 65 4.179 7.777 1.495 1.00 0.00 C ATOM 1038 CG LEU A 65 4.248 8.120 0.006 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.891 6.961 -0.756 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.835 8.361 -0.527 1.00 0.00 C ATOM 0 H LEU A 65 6.120 6.364 1.331 1.00 0.00 H new ATOM 0 HA LEU A 65 5.891 9.129 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.034 6.705 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.323 8.272 1.954 1.00 0.00 H new ATOM 0 HG LEU A 65 4.847 9.020 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.940 7.206 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.898 6.790 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.294 6.060 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.883 8.606 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.236 7.461 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.378 9.188 0.016 1.00 0.00 H new ATOM 1052 N LYS A 66 5.367 7.586 4.542 1.00 0.00 N ATOM 1053 CA LYS A 66 5.140 7.858 5.995 1.00 0.00 C ATOM 1054 C LYS A 66 6.268 8.740 6.532 1.00 0.00 C ATOM 1055 O LYS A 66 6.036 9.704 7.235 1.00 0.00 O ATOM 1056 CB LYS A 66 5.164 6.490 6.674 1.00 0.00 C ATOM 1057 CG LYS A 66 4.751 6.638 8.140 1.00 0.00 C ATOM 1058 CD LYS A 66 3.235 6.820 8.228 1.00 0.00 C ATOM 1059 CE LYS A 66 2.740 6.335 9.592 1.00 0.00 C ATOM 1060 NZ LYS A 66 1.289 6.060 9.399 1.00 0.00 N ATOM 0 H LYS A 66 5.646 6.631 4.318 1.00 0.00 H new ATOM 0 HA LYS A 66 4.200 8.378 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.487 5.807 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.162 6.058 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.055 5.757 8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.257 7.494 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.975 7.869 8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.744 6.261 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.273 5.439 9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.900 7.090 10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.878 5.723 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.807 6.933 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.168 5.332 8.666 1.00 0.00 H new ATOM 1074 N GLU A 67 7.491 8.413 6.193 1.00 0.00 N ATOM 1075 CA GLU A 67 8.649 9.227 6.670 1.00 0.00 C ATOM 1076 C GLU A 67 8.593 10.624 6.050 1.00 0.00 C ATOM 1077 O GLU A 67 8.561 11.619 6.749 1.00 0.00 O ATOM 1078 CB GLU A 67 9.895 8.477 6.192 1.00 0.00 C ATOM 1079 CG GLU A 67 11.092 8.866 7.062 1.00 0.00 C ATOM 1080 CD GLU A 67 12.362 8.229 6.496 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.487 7.019 6.589 1.00 0.00 O ATOM 1082 OE2 GLU A 67 13.189 8.962 5.979 1.00 0.00 O ATOM 0 H GLU A 67 7.736 7.616 5.606 1.00 0.00 H new ATOM 0 HA GLU A 67 8.647 9.354 7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.728 7.401 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.098 8.716 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.198 9.951 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.932 8.535 8.088 1.00 0.00 H new ATOM 1089 N LYS A 68 8.580 10.704 4.741 1.00 0.00 N ATOM 1090 CA LYS A 68 8.524 12.039 4.062 1.00 0.00 C ATOM 1091 C LYS A 68 7.323 12.852 4.562 1.00 0.00 C ATOM 1092 O LYS A 68 7.331 14.067 4.529 1.00 0.00 O ATOM 1093 CB LYS A 68 8.372 11.727 2.571 1.00 0.00 C ATOM 1094 CG LYS A 68 9.748 11.425 1.973 1.00 0.00 C ATOM 1095 CD LYS A 68 9.629 11.310 0.452 1.00 0.00 C ATOM 1096 CE LYS A 68 11.000 11.545 -0.187 1.00 0.00 C ATOM 1097 NZ LYS A 68 10.717 11.782 -1.630 1.00 0.00 N ATOM 0 H LYS A 68 8.606 9.902 4.112 1.00 0.00 H new ATOM 0 HA LYS A 68 9.414 12.634 4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.708 10.874 2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.917 12.573 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.451 12.215 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.141 10.497 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.253 10.324 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.911 12.039 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.503 12.401 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.653 10.683 -0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.610 11.951 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.244 10.948 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.099 12.613 -1.731 1.00 0.00 H new ATOM 1111 N TYR A 69 6.299 12.187 5.034 1.00 0.00 N ATOM 1112 CA TYR A 69 5.100 12.913 5.548 1.00 0.00 C ATOM 1113 C TYR A 69 5.390 13.456 6.952 1.00 0.00 C ATOM 1114 O TYR A 69 5.441 14.652 7.167 1.00 0.00 O ATOM 1115 CB TYR A 69 3.984 11.856 5.587 1.00 0.00 C ATOM 1116 CG TYR A 69 2.730 12.440 6.205 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.562 12.421 7.595 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.740 13.000 5.389 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.405 12.962 8.168 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.583 13.542 5.964 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.416 13.522 7.353 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.724 14.057 7.918 1.00 0.00 O ATOM 0 H TYR A 69 6.242 11.170 5.085 1.00 0.00 H new ATOM 0 HA TYR A 69 4.823 13.765 4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.771 11.505 4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.313 10.991 6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.325 11.989 8.225 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.868 13.014 4.317 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.276 12.947 9.240 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.180 13.975 5.335 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.307 14.405 7.211 1.00 0.00 H new ATOM 1132 N GLU A 70 5.569 12.579 7.903 1.00 0.00 N ATOM 1133 CA GLU A 70 5.841 13.026 9.308 1.00 0.00 C ATOM 1134 C GLU A 70 7.102 13.899 9.381 1.00 0.00 C ATOM 1135 O GLU A 70 7.273 14.664 10.313 1.00 0.00 O ATOM 1136 CB GLU A 70 6.043 11.736 10.106 1.00 0.00 C ATOM 1137 CG GLU A 70 4.716 10.981 10.200 1.00 0.00 C ATOM 1138 CD GLU A 70 4.856 9.822 11.188 1.00 0.00 C ATOM 1139 OE1 GLU A 70 5.339 8.777 10.780 1.00 0.00 O ATOM 1140 OE2 GLU A 70 4.480 9.998 12.335 1.00 0.00 O ATOM 0 H GLU A 70 5.539 11.568 7.771 1.00 0.00 H new ATOM 0 HA GLU A 70 5.023 13.632 9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.795 11.112 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.413 11.968 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.924 11.656 10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.430 10.603 9.218 1.00 0.00 H new ATOM 1147 N LYS A 71 7.989 13.783 8.425 1.00 0.00 N ATOM 1148 CA LYS A 71 9.245 14.598 8.463 1.00 0.00 C ATOM 1149 C LYS A 71 9.096 15.902 7.667 1.00 0.00 C ATOM 1150 O LYS A 71 9.863 16.829 7.849 1.00 0.00 O ATOM 1151 CB LYS A 71 10.316 13.710 7.828 1.00 0.00 C ATOM 1152 CG LYS A 71 10.607 12.523 8.750 1.00 0.00 C ATOM 1153 CD LYS A 71 12.058 12.074 8.562 1.00 0.00 C ATOM 1154 CE LYS A 71 12.363 10.915 9.513 1.00 0.00 C ATOM 1155 NZ LYS A 71 13.818 11.029 9.805 1.00 0.00 N ATOM 0 H LYS A 71 7.900 13.161 7.621 1.00 0.00 H new ATOM 0 HA LYS A 71 9.495 14.891 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.978 13.354 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.227 14.285 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.434 12.805 9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.929 11.700 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.223 11.764 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.735 12.906 8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.771 10.987 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.127 9.955 9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.103 10.267 10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.357 10.950 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.012 11.950 10.248 1.00 0.00 H new ATOM 1169 N ASP A 72 8.130 15.982 6.785 1.00 0.00 N ATOM 1170 CA ASP A 72 7.958 17.231 5.977 1.00 0.00 C ATOM 1171 C ASP A 72 6.692 17.985 6.394 1.00 0.00 C ATOM 1172 O ASP A 72 6.605 19.190 6.244 1.00 0.00 O ATOM 1173 CB ASP A 72 7.841 16.754 4.530 1.00 0.00 C ATOM 1174 CG ASP A 72 8.025 17.941 3.584 1.00 0.00 C ATOM 1175 OD1 ASP A 72 9.156 18.206 3.208 1.00 0.00 O ATOM 1176 OD2 ASP A 72 7.032 18.566 3.249 1.00 0.00 O ATOM 0 H ASP A 72 7.456 15.241 6.590 1.00 0.00 H new ATOM 0 HA ASP A 72 8.790 17.921 6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.593 15.992 4.325 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.867 16.292 4.366 1.00 0.00 H new ATOM 1181 N ILE A 73 5.709 17.289 6.907 1.00 0.00 N ATOM 1182 CA ILE A 73 4.445 17.971 7.323 1.00 0.00 C ATOM 1183 C ILE A 73 4.704 18.898 8.521 1.00 0.00 C ATOM 1184 O ILE A 73 4.093 19.941 8.652 1.00 0.00 O ATOM 1185 CB ILE A 73 3.472 16.838 7.687 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.082 17.426 7.934 1.00 0.00 C ATOM 1187 CG2 ILE A 73 3.948 16.100 8.944 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.380 17.651 6.594 1.00 0.00 C ATOM 0 H ILE A 73 5.727 16.280 7.056 1.00 0.00 H new ATOM 0 HA ILE A 73 4.038 18.602 6.533 1.00 0.00 H new ATOM 0 HB ILE A 73 3.434 16.128 6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.495 16.750 8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.165 18.368 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.246 15.302 9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.935 15.673 8.764 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.002 16.800 9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.389 18.070 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.965 18.343 5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.285 16.701 6.069 1.00 0.00 H new