USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 500 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 12 SER OG : rot 12:sc= 0.619 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.574 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 74:sc= 0.904 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.257 USER MOD Single : A 39 GLN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 44 MET CE :methyl 177:sc= -1.8 (180deg=-1.85) USER MOD Single : A 47 GLN : amide:sc= -0.408 K(o=-0.41,f=-3.1!) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 93:sc= 0.0762 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0245 X(o=-0.025,f=-0.28) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N SER A 12 -10.684 18.439 -1.022 1.00 0.00 N ATOM 119 CA SER A 12 -9.950 17.593 -0.097 1.00 0.00 C ATOM 120 C SER A 12 -10.909 16.631 0.607 1.00 0.00 C ATOM 121 O SER A 12 -10.510 15.545 1.023 1.00 0.00 O ATOM 122 CB SER A 12 -9.189 18.432 0.931 1.00 0.00 C ATOM 123 OG SER A 12 -8.979 19.767 0.481 1.00 0.00 O ATOM 0 HA SER A 12 -9.221 17.016 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.745 18.449 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.227 17.964 1.140 1.00 0.00 H new ATOM 0 HG SER A 12 -9.522 19.932 -0.318 1.00 0.00 H new ATOM 129 N THR A 13 -12.155 17.066 0.719 1.00 0.00 N ATOM 130 CA THR A 13 -13.175 16.258 1.366 1.00 0.00 C ATOM 131 C THR A 13 -13.174 14.839 0.793 1.00 0.00 C ATOM 132 O THR A 13 -13.012 13.868 1.530 1.00 0.00 O ATOM 133 CB THR A 13 -14.517 16.976 1.210 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.554 17.885 2.307 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.709 16.048 1.454 1.00 0.00 C ATOM 0 H THR A 13 -12.482 17.968 0.373 1.00 0.00 H new ATOM 0 HA THR A 13 -12.973 16.145 2.431 1.00 0.00 H new ATOM 0 HB THR A 13 -14.587 17.401 0.209 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.391 18.394 2.282 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.637 16.607 1.331 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.683 15.226 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.658 15.649 2.467 1.00 0.00 H new ATOM 143 N ALA A 14 -13.357 14.765 -0.518 1.00 0.00 N ATOM 144 CA ALA A 14 -13.379 13.482 -1.199 1.00 0.00 C ATOM 145 C ALA A 14 -12.220 12.620 -0.692 1.00 0.00 C ATOM 146 O ALA A 14 -12.354 11.404 -0.569 1.00 0.00 O ATOM 147 CB ALA A 14 -13.322 13.705 -2.711 1.00 0.00 C ATOM 0 H ALA A 14 -13.491 15.573 -1.126 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.305 12.949 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.338 12.742 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.182 14.297 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.405 14.235 -2.966 1.00 0.00 H new ATOM 153 N ALA A 15 -11.109 13.285 -0.413 1.00 0.00 N ATOM 154 CA ALA A 15 -9.927 12.596 0.077 1.00 0.00 C ATOM 155 C ALA A 15 -10.205 12.052 1.480 1.00 0.00 C ATOM 156 O ALA A 15 -9.840 10.920 1.794 1.00 0.00 O ATOM 157 CB ALA A 15 -8.731 13.549 0.048 1.00 0.00 C ATOM 0 H ALA A 15 -11.002 14.294 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.684 11.748 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.845 13.032 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.558 13.884 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.937 14.411 0.682 1.00 0.00 H new ATOM 163 N VAL A 16 -10.848 12.884 2.286 1.00 0.00 N ATOM 164 CA VAL A 16 -11.178 12.500 3.648 1.00 0.00 C ATOM 165 C VAL A 16 -12.037 11.234 3.623 1.00 0.00 C ATOM 166 O VAL A 16 -11.855 10.340 4.447 1.00 0.00 O ATOM 167 CB VAL A 16 -11.854 13.667 4.371 1.00 0.00 C ATOM 168 CG1 VAL A 16 -12.084 13.338 5.848 1.00 0.00 C ATOM 169 CG2 VAL A 16 -11.041 14.953 4.215 1.00 0.00 C ATOM 0 H VAL A 16 -11.149 13.822 2.022 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.273 12.267 4.209 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.828 13.829 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.566 14.184 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.723 12.459 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.127 13.136 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.543 15.767 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.047 14.809 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.953 15.201 3.157 1.00 0.00 H new ATOM 179 N ALA A 17 -12.955 11.199 2.668 1.00 0.00 N ATOM 180 CA ALA A 17 -13.843 10.058 2.524 1.00 0.00 C ATOM 181 C ALA A 17 -13.054 8.871 1.968 1.00 0.00 C ATOM 182 O ALA A 17 -12.981 7.819 2.601 1.00 0.00 O ATOM 183 CB ALA A 17 -15.026 10.440 1.633 1.00 0.00 C ATOM 0 H ALA A 17 -13.103 11.943 1.986 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.247 9.762 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.692 9.584 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.570 11.268 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.660 10.741 0.651 1.00 0.00 H new ATOM 189 N VAL A 18 -12.483 9.079 0.791 1.00 0.00 N ATOM 190 CA VAL A 18 -11.703 8.039 0.142 1.00 0.00 C ATOM 191 C VAL A 18 -10.683 7.479 1.136 1.00 0.00 C ATOM 192 O VAL A 18 -10.532 6.264 1.257 1.00 0.00 O ATOM 193 CB VAL A 18 -11.056 8.588 -1.132 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.627 9.062 -0.861 1.00 0.00 C ATOM 195 CG2 VAL A 18 -11.085 7.547 -2.252 1.00 0.00 C ATOM 0 H VAL A 18 -12.545 9.953 0.269 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.346 7.214 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.638 9.450 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.191 9.447 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.642 9.851 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.029 8.226 -0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.619 7.962 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.538 6.658 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.118 7.278 -2.472 1.00 0.00 H new ATOM 205 N LEU A 19 -10.011 8.390 1.823 1.00 0.00 N ATOM 206 CA LEU A 19 -9.010 8.002 2.802 1.00 0.00 C ATOM 207 C LEU A 19 -9.669 7.146 3.886 1.00 0.00 C ATOM 208 O LEU A 19 -9.177 6.067 4.214 1.00 0.00 O ATOM 209 CB LEU A 19 -8.287 9.235 3.348 1.00 0.00 C ATOM 210 CG LEU A 19 -7.264 9.881 2.412 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.626 11.111 3.061 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.215 8.863 1.960 1.00 0.00 C ATOM 0 H LEU A 19 -10.140 9.397 1.721 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.238 7.390 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.034 9.984 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.780 8.955 4.271 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.787 10.223 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.903 11.551 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.400 11.843 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.120 10.816 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.500 9.348 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.691 8.469 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.705 8.046 1.431 1.00 0.00 H new ATOM 224 N LYS A 20 -10.772 7.659 4.411 1.00 0.00 N ATOM 225 CA LYS A 20 -11.503 6.955 5.451 1.00 0.00 C ATOM 226 C LYS A 20 -11.828 5.539 4.971 1.00 0.00 C ATOM 227 O LYS A 20 -11.453 4.560 5.614 1.00 0.00 O ATOM 228 CB LYS A 20 -12.734 7.757 5.878 1.00 0.00 C ATOM 229 CG LYS A 20 -12.469 8.518 7.178 1.00 0.00 C ATOM 230 CD LYS A 20 -13.524 9.603 7.404 1.00 0.00 C ATOM 231 CE LYS A 20 -14.209 9.428 8.761 1.00 0.00 C ATOM 232 NZ LYS A 20 -15.385 8.539 8.637 1.00 0.00 N ATOM 0 H LYS A 20 -11.177 8.554 4.136 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.890 6.856 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.006 8.460 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.582 7.085 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.472 7.823 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.478 8.971 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.056 10.586 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.269 9.562 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.504 9.010 9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.519 10.399 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -15.838 8.431 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.064 8.953 7.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.081 7.607 8.290 1.00 0.00 H new ATOM 246 N ARG A 21 -12.523 5.476 3.844 1.00 0.00 N ATOM 247 CA ARG A 21 -12.903 4.196 3.270 1.00 0.00 C ATOM 248 C ARG A 21 -11.684 3.277 3.168 1.00 0.00 C ATOM 249 O ARG A 21 -11.749 2.109 3.547 1.00 0.00 O ATOM 250 CB ARG A 21 -13.514 4.376 1.879 1.00 0.00 C ATOM 251 CG ARG A 21 -15.022 4.619 1.971 1.00 0.00 C ATOM 252 CD ARG A 21 -15.759 3.341 2.377 1.00 0.00 C ATOM 253 NE ARG A 21 -17.160 3.657 2.737 1.00 0.00 N ATOM 254 CZ ARG A 21 -17.990 2.799 3.346 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.567 1.569 3.666 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.245 3.173 3.634 1.00 0.00 N ATOM 0 H ARG A 21 -12.833 6.290 3.313 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.648 3.746 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.037 5.216 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.321 3.489 1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.224 5.406 2.698 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.397 4.970 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.739 2.623 1.557 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.254 2.873 3.222 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.515 4.585 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.612 1.285 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.199 0.917 4.130 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.567 4.110 3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.878 2.521 4.097 1.00 0.00 H new ATOM 270 N ALA A 22 -10.599 3.840 2.655 1.00 0.00 N ATOM 271 CA ALA A 22 -9.367 3.086 2.499 1.00 0.00 C ATOM 272 C ALA A 22 -9.044 2.368 3.811 1.00 0.00 C ATOM 273 O ALA A 22 -8.993 1.139 3.854 1.00 0.00 O ATOM 274 CB ALA A 22 -8.245 4.027 2.057 1.00 0.00 C ATOM 0 H ALA A 22 -10.548 4.810 2.342 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.477 2.326 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.321 3.461 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.511 4.489 1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.103 4.803 2.810 1.00 0.00 H new ATOM 280 N VAL A 23 -8.834 3.165 4.848 1.00 0.00 N ATOM 281 CA VAL A 23 -8.517 2.621 6.158 1.00 0.00 C ATOM 282 C VAL A 23 -9.363 1.370 6.404 1.00 0.00 C ATOM 283 O VAL A 23 -8.826 0.293 6.658 1.00 0.00 O ATOM 284 CB VAL A 23 -8.711 3.694 7.231 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.003 3.061 8.593 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.495 4.620 7.306 1.00 0.00 C ATOM 0 H VAL A 23 -8.877 4.183 4.808 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.470 2.320 6.204 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.575 4.297 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.137 3.846 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.912 2.463 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.169 2.423 8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.659 5.374 8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.608 4.036 7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.351 5.111 6.343 1.00 0.00 H new ATOM 296 N GLU A 24 -10.673 1.554 6.320 1.00 0.00 N ATOM 297 CA GLU A 24 -11.598 0.453 6.530 1.00 0.00 C ATOM 298 C GLU A 24 -11.153 -0.774 5.732 1.00 0.00 C ATOM 299 O GLU A 24 -10.839 -1.814 6.310 1.00 0.00 O ATOM 300 CB GLU A 24 -13.026 0.860 6.161 1.00 0.00 C ATOM 301 CG GLU A 24 -13.518 2.003 7.050 1.00 0.00 C ATOM 302 CD GLU A 24 -13.577 1.571 8.516 1.00 0.00 C ATOM 303 OE1 GLU A 24 -14.626 1.010 8.901 1.00 0.00 O ATOM 304 OE2 GLU A 24 -12.572 1.812 9.220 1.00 0.00 O ATOM 0 H GLU A 24 -11.115 2.449 6.109 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.591 0.194 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.062 1.167 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.691 0.002 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.854 2.861 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.507 2.324 6.722 1.00 0.00 H new ATOM 311 N LEU A 25 -11.141 -0.613 4.417 1.00 0.00 N ATOM 312 CA LEU A 25 -10.740 -1.695 3.535 1.00 0.00 C ATOM 313 C LEU A 25 -9.441 -2.315 4.052 1.00 0.00 C ATOM 314 O LEU A 25 -9.301 -3.537 4.084 1.00 0.00 O ATOM 315 CB LEU A 25 -10.653 -1.203 2.089 1.00 0.00 C ATOM 316 CG LEU A 25 -11.986 -0.897 1.402 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.783 0.021 0.196 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.717 -2.187 1.025 1.00 0.00 C ATOM 0 H LEU A 25 -11.403 0.251 3.941 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.492 -2.484 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.042 -0.301 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.129 -1.956 1.501 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.620 -0.363 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.746 0.223 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.336 0.959 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.123 -0.464 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.661 -1.941 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.098 -2.770 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.913 -2.770 1.925 1.00 0.00 H new ATOM 330 N ASP A 26 -8.523 -1.445 4.446 1.00 0.00 N ATOM 331 CA ASP A 26 -7.240 -1.892 4.961 1.00 0.00 C ATOM 332 C ASP A 26 -7.469 -2.810 6.163 1.00 0.00 C ATOM 333 O ASP A 26 -6.766 -3.805 6.333 1.00 0.00 O ATOM 334 CB ASP A 26 -6.390 -0.707 5.426 1.00 0.00 C ATOM 335 CG ASP A 26 -4.949 -0.705 4.914 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.783 -0.861 3.685 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.045 -0.548 5.764 1.00 0.00 O ATOM 0 H ASP A 26 -8.642 -0.432 4.419 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.720 -2.417 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.874 0.216 5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.373 -0.697 6.516 1.00 0.00 H new ATOM 342 N ALA A 27 -8.457 -2.443 6.968 1.00 0.00 N ATOM 343 CA ALA A 27 -8.788 -3.221 8.149 1.00 0.00 C ATOM 344 C ALA A 27 -9.536 -4.488 7.727 1.00 0.00 C ATOM 345 O ALA A 27 -9.517 -5.490 8.439 1.00 0.00 O ATOM 346 CB ALA A 27 -9.601 -2.359 9.117 1.00 0.00 C ATOM 0 H ALA A 27 -9.038 -1.617 6.825 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.882 -3.531 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.849 -2.943 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.014 -1.488 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.519 -2.031 8.629 1.00 0.00 H new ATOM 352 N GLU A 28 -10.177 -4.400 6.571 1.00 0.00 N ATOM 353 CA GLU A 28 -10.929 -5.527 6.046 1.00 0.00 C ATOM 354 C GLU A 28 -10.002 -6.478 5.286 1.00 0.00 C ATOM 355 O GLU A 28 -10.448 -7.493 4.755 1.00 0.00 O ATOM 356 CB GLU A 28 -12.077 -5.051 5.153 1.00 0.00 C ATOM 357 CG GLU A 28 -13.102 -4.249 5.958 1.00 0.00 C ATOM 358 CD GLU A 28 -14.355 -5.082 6.234 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.242 -6.025 7.047 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.398 -4.757 5.626 1.00 0.00 O ATOM 0 H GLU A 28 -10.191 -3.566 5.983 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.365 -6.070 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.682 -4.436 4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.564 -5.910 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.659 -3.928 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.374 -3.347 5.411 1.00 0.00 H new ATOM 367 N SER A 29 -8.728 -6.114 5.259 1.00 0.00 N ATOM 368 CA SER A 29 -7.734 -6.922 4.573 1.00 0.00 C ATOM 369 C SER A 29 -7.838 -6.708 3.062 1.00 0.00 C ATOM 370 O SER A 29 -7.147 -7.371 2.289 1.00 0.00 O ATOM 371 CB SER A 29 -7.900 -8.405 4.913 1.00 0.00 C ATOM 372 OG SER A 29 -8.441 -8.597 6.217 1.00 0.00 O ATOM 0 H SER A 29 -8.362 -5.271 5.701 1.00 0.00 H new ATOM 0 HA SER A 29 -6.746 -6.609 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.553 -8.875 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.933 -8.903 4.845 1.00 0.00 H new ATOM 0 HG SER A 29 -8.533 -9.556 6.395 1.00 0.00 H new ATOM 378 N ARG A 30 -8.706 -5.781 2.686 1.00 0.00 N ATOM 379 CA ARG A 30 -8.909 -5.472 1.281 1.00 0.00 C ATOM 380 C ARG A 30 -7.923 -4.393 0.827 1.00 0.00 C ATOM 381 O ARG A 30 -8.330 -3.339 0.341 1.00 0.00 O ATOM 382 CB ARG A 30 -10.337 -4.987 1.024 1.00 0.00 C ATOM 383 CG ARG A 30 -11.360 -5.965 1.605 1.00 0.00 C ATOM 384 CD ARG A 30 -12.789 -5.484 1.343 1.00 0.00 C ATOM 385 NE ARG A 30 -13.550 -6.527 0.619 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.861 -6.452 0.354 1.00 0.00 C ATOM 387 NH1 ARG A 30 -15.565 -5.383 0.752 1.00 0.00 N ATOM 388 NH2 ARG A 30 -15.469 -7.446 -0.308 1.00 0.00 N ATOM 0 H ARG A 30 -9.277 -5.234 3.330 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.740 -6.387 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.476 -4.002 1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.501 -4.878 -0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.218 -6.951 1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.199 -6.071 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.282 -5.252 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.770 -4.564 0.758 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.045 -7.354 0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.102 -4.627 1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.563 -5.326 0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.934 -8.260 -0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.467 -7.389 -0.510 1.00 0.00 H new ATOM 402 N TYR A 31 -6.644 -4.695 1.000 1.00 0.00 N ATOM 403 CA TYR A 31 -5.597 -3.765 0.614 1.00 0.00 C ATOM 404 C TYR A 31 -5.730 -3.369 -0.857 1.00 0.00 C ATOM 405 O TYR A 31 -5.445 -2.231 -1.226 1.00 0.00 O ATOM 406 CB TYR A 31 -4.276 -4.511 0.812 1.00 0.00 C ATOM 407 CG TYR A 31 -3.983 -4.883 2.267 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.098 -3.930 3.259 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.604 -6.170 2.587 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.822 -4.280 4.629 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.328 -6.520 3.957 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.451 -5.558 4.910 1.00 0.00 C ATOM 413 OH TYR A 31 -3.190 -5.888 6.203 1.00 0.00 O ATOM 0 H TYR A 31 -6.310 -5.571 1.402 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.655 -2.853 1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.291 -5.420 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.461 -3.893 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.395 -2.922 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.514 -6.915 1.811 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.908 -3.544 5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.030 -7.524 4.221 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.938 -6.834 6.255 1.00 0.00 H new ATOM 423 N GLN A 32 -6.164 -4.331 -1.659 1.00 0.00 N ATOM 424 CA GLN A 32 -6.338 -4.097 -3.082 1.00 0.00 C ATOM 425 C GLN A 32 -7.331 -2.957 -3.315 1.00 0.00 C ATOM 426 O GLN A 32 -7.369 -2.373 -4.397 1.00 0.00 O ATOM 427 CB GLN A 32 -6.791 -5.373 -3.796 1.00 0.00 C ATOM 428 CG GLN A 32 -5.816 -5.752 -4.912 1.00 0.00 C ATOM 429 CD GLN A 32 -6.160 -5.024 -6.212 1.00 0.00 C ATOM 430 OE1 GLN A 32 -6.934 -5.492 -7.030 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.543 -3.854 -6.357 1.00 0.00 N ATOM 0 H GLN A 32 -6.400 -5.274 -1.350 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.376 -3.806 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.863 -6.190 -3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.787 -5.227 -4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.798 -5.504 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.846 -6.829 -5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.906 -3.520 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.707 -3.291 -7.192 1.00 0.00 H new ATOM 440 N GLN A 33 -8.111 -2.673 -2.282 1.00 0.00 N ATOM 441 CA GLN A 33 -9.101 -1.613 -2.361 1.00 0.00 C ATOM 442 C GLN A 33 -8.650 -0.403 -1.539 1.00 0.00 C ATOM 443 O GLN A 33 -8.853 0.739 -1.947 1.00 0.00 O ATOM 444 CB GLN A 33 -10.473 -2.109 -1.899 1.00 0.00 C ATOM 445 CG GLN A 33 -11.013 -3.186 -2.842 1.00 0.00 C ATOM 446 CD GLN A 33 -12.536 -3.100 -2.958 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.276 -3.810 -2.296 1.00 0.00 O ATOM 448 NE2 GLN A 33 -12.961 -2.193 -3.833 1.00 0.00 N ATOM 0 H GLN A 33 -8.077 -3.159 -1.386 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.194 -1.306 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.397 -2.510 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.171 -1.273 -1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.563 -3.070 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.728 -4.172 -2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.287 -1.632 -4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.961 -2.058 -3.983 1.00 0.00 H new ATOM 457 N ALA A 34 -8.047 -0.696 -0.397 1.00 0.00 N ATOM 458 CA ALA A 34 -7.565 0.353 0.486 1.00 0.00 C ATOM 459 C ALA A 34 -6.384 1.067 -0.175 1.00 0.00 C ATOM 460 O ALA A 34 -6.058 2.198 0.183 1.00 0.00 O ATOM 461 CB ALA A 34 -7.197 -0.249 1.843 1.00 0.00 C ATOM 0 H ALA A 34 -7.881 -1.645 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.344 1.095 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.836 0.538 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.077 -0.718 2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.416 -0.997 1.709 1.00 0.00 H new ATOM 467 N LEU A 35 -5.775 0.377 -1.128 1.00 0.00 N ATOM 468 CA LEU A 35 -4.637 0.931 -1.842 1.00 0.00 C ATOM 469 C LEU A 35 -5.106 2.096 -2.716 1.00 0.00 C ATOM 470 O LEU A 35 -4.703 3.238 -2.502 1.00 0.00 O ATOM 471 CB LEU A 35 -3.907 -0.166 -2.620 1.00 0.00 C ATOM 472 CG LEU A 35 -2.550 0.221 -3.212 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.720 0.897 -4.574 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.754 1.089 -2.237 1.00 0.00 C ATOM 0 H LEU A 35 -6.048 -0.561 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.906 1.333 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.762 -1.019 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.553 -0.500 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.975 -0.691 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.741 1.162 -4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.219 0.212 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.322 1.799 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.794 1.350 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.313 1.999 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.587 0.537 -1.312 1.00 0.00 H new ATOM 486 N VAL A 36 -5.951 1.766 -3.681 1.00 0.00 N ATOM 487 CA VAL A 36 -6.479 2.771 -4.588 1.00 0.00 C ATOM 488 C VAL A 36 -7.087 3.916 -3.776 1.00 0.00 C ATOM 489 O VAL A 36 -6.795 5.084 -4.027 1.00 0.00 O ATOM 490 CB VAL A 36 -7.476 2.130 -5.556 1.00 0.00 C ATOM 491 CG1 VAL A 36 -6.985 0.757 -6.018 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.867 2.033 -4.927 1.00 0.00 C ATOM 0 H VAL A 36 -6.283 0.817 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.680 3.193 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.551 2.772 -6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.712 0.323 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.026 0.865 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.867 0.103 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.556 1.574 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.816 1.424 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.221 3.032 -4.672 1.00 0.00 H new ATOM 502 N CYS A 37 -7.922 3.541 -2.818 1.00 0.00 N ATOM 503 CA CYS A 37 -8.574 4.522 -1.967 1.00 0.00 C ATOM 504 C CYS A 37 -7.502 5.456 -1.401 1.00 0.00 C ATOM 505 O CYS A 37 -7.607 6.675 -1.526 1.00 0.00 O ATOM 506 CB CYS A 37 -9.392 3.856 -0.859 1.00 0.00 C ATOM 507 SG CYS A 37 -10.701 2.808 -1.592 1.00 0.00 S ATOM 0 H CYS A 37 -8.162 2.571 -2.612 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.285 5.101 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.741 3.251 -0.228 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.839 4.616 -0.219 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.169 1.725 -2.076 1.00 0.00 H new ATOM 513 N TYR A 38 -6.495 4.847 -0.792 1.00 0.00 N ATOM 514 CA TYR A 38 -5.404 5.609 -0.207 1.00 0.00 C ATOM 515 C TYR A 38 -4.740 6.507 -1.252 1.00 0.00 C ATOM 516 O TYR A 38 -4.340 7.629 -0.948 1.00 0.00 O ATOM 517 CB TYR A 38 -4.386 4.578 0.284 1.00 0.00 C ATOM 518 CG TYR A 38 -4.608 4.123 1.728 1.00 0.00 C ATOM 519 CD1 TYR A 38 -4.965 5.041 2.694 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.451 2.793 2.064 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.173 4.613 4.053 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.660 2.365 3.423 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.011 3.296 4.350 1.00 0.00 C ATOM 524 OH TYR A 38 -5.208 2.891 5.634 1.00 0.00 O ATOM 0 H TYR A 38 -6.411 3.835 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.770 6.250 0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.422 3.707 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.385 5.001 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.089 6.081 2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.172 2.074 1.308 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.451 5.322 4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.541 1.328 3.700 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.059 1.925 5.699 1.00 0.00 H new ATOM 534 N GLN A 39 -4.642 5.978 -2.463 1.00 0.00 N ATOM 535 CA GLN A 39 -4.033 6.717 -3.556 1.00 0.00 C ATOM 536 C GLN A 39 -4.968 7.832 -4.029 1.00 0.00 C ATOM 537 O GLN A 39 -4.518 8.934 -4.341 1.00 0.00 O ATOM 538 CB GLN A 39 -3.664 5.785 -4.711 1.00 0.00 C ATOM 539 CG GLN A 39 -2.839 4.595 -4.213 1.00 0.00 C ATOM 540 CD GLN A 39 -1.371 4.737 -4.620 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.959 4.345 -5.699 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.609 5.319 -3.699 1.00 0.00 N ATOM 0 H GLN A 39 -4.974 5.046 -2.711 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.112 7.172 -3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.571 5.425 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.097 6.336 -5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.914 4.525 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.245 3.670 -4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.019 5.624 -2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.386 5.461 -3.875 1.00 0.00 H new ATOM 551 N GLU A 40 -6.252 7.508 -4.066 1.00 0.00 N ATOM 552 CA GLU A 40 -7.254 8.468 -4.495 1.00 0.00 C ATOM 553 C GLU A 40 -7.191 9.726 -3.627 1.00 0.00 C ATOM 554 O GLU A 40 -7.333 10.840 -4.129 1.00 0.00 O ATOM 555 CB GLU A 40 -8.654 7.851 -4.465 1.00 0.00 C ATOM 556 CG GLU A 40 -8.701 6.558 -5.282 1.00 0.00 C ATOM 557 CD GLU A 40 -9.634 6.704 -6.486 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.198 7.345 -7.467 1.00 0.00 O ATOM 559 OE2 GLU A 40 -10.762 6.172 -6.397 1.00 0.00 O ATOM 0 H GLU A 40 -6.621 6.594 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.039 8.750 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.942 7.645 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.378 8.563 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.698 6.303 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.041 5.737 -4.651 1.00 0.00 H new ATOM 566 N GLY A 41 -6.977 9.506 -2.338 1.00 0.00 N ATOM 567 CA GLY A 41 -6.893 10.608 -1.395 1.00 0.00 C ATOM 568 C GLY A 41 -5.559 11.346 -1.530 1.00 0.00 C ATOM 569 O GLY A 41 -5.533 12.567 -1.676 1.00 0.00 O ATOM 0 H GLY A 41 -6.859 8.581 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.716 11.302 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.002 10.230 -0.378 1.00 0.00 H new ATOM 573 N ILE A 42 -4.484 10.573 -1.478 1.00 0.00 N ATOM 574 CA ILE A 42 -3.150 11.138 -1.593 1.00 0.00 C ATOM 575 C ILE A 42 -3.110 12.101 -2.781 1.00 0.00 C ATOM 576 O ILE A 42 -2.667 13.241 -2.646 1.00 0.00 O ATOM 577 CB ILE A 42 -2.102 10.025 -1.668 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.919 9.353 -0.306 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.781 10.554 -2.229 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.791 7.836 -0.456 1.00 0.00 C ATOM 0 H ILE A 42 -4.510 9.560 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.903 11.718 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.462 9.262 -2.358 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.029 9.750 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.767 9.588 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.053 9.744 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.944 10.949 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.403 11.347 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.662 7.383 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.692 7.439 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.927 7.604 -1.079 1.00 0.00 H new ATOM 592 N ASP A 43 -3.578 11.608 -3.918 1.00 0.00 N ATOM 593 CA ASP A 43 -3.600 12.410 -5.129 1.00 0.00 C ATOM 594 C ASP A 43 -4.409 13.685 -4.876 1.00 0.00 C ATOM 595 O ASP A 43 -4.017 14.768 -5.306 1.00 0.00 O ATOM 596 CB ASP A 43 -4.263 11.652 -6.281 1.00 0.00 C ATOM 597 CG ASP A 43 -3.603 11.846 -7.648 1.00 0.00 C ATOM 598 OD1 ASP A 43 -3.122 12.974 -7.890 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.595 10.863 -8.419 1.00 0.00 O ATOM 0 H ASP A 43 -3.945 10.663 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.570 12.644 -5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.265 10.588 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.305 11.965 -6.350 1.00 0.00 H new ATOM 604 N MET A 44 -5.522 13.512 -4.179 1.00 0.00 N ATOM 605 CA MET A 44 -6.389 14.635 -3.863 1.00 0.00 C ATOM 606 C MET A 44 -5.706 15.598 -2.890 1.00 0.00 C ATOM 607 O MET A 44 -5.735 16.811 -3.089 1.00 0.00 O ATOM 608 CB MET A 44 -7.689 14.118 -3.243 1.00 0.00 C ATOM 609 CG MET A 44 -8.658 13.634 -4.324 1.00 0.00 C ATOM 610 SD MET A 44 -10.272 13.354 -3.615 1.00 0.00 S ATOM 611 CE MET A 44 -10.184 11.594 -3.329 1.00 0.00 C ATOM 0 H MET A 44 -5.844 12.611 -3.824 1.00 0.00 H new ATOM 0 HA MET A 44 -6.606 15.174 -4.786 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.469 13.302 -2.555 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.157 14.910 -2.658 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.725 14.374 -5.122 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.284 12.714 -4.774 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.097 11.259 -2.837 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.074 11.076 -4.282 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.327 11.371 -2.694 1.00 0.00 H new ATOM 621 N LEU A 45 -5.108 15.021 -1.858 1.00 0.00 N ATOM 622 CA LEU A 45 -4.419 15.813 -0.854 1.00 0.00 C ATOM 623 C LEU A 45 -3.259 16.564 -1.510 1.00 0.00 C ATOM 624 O LEU A 45 -3.111 17.771 -1.322 1.00 0.00 O ATOM 625 CB LEU A 45 -3.994 14.933 0.324 1.00 0.00 C ATOM 626 CG LEU A 45 -5.129 14.320 1.146 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.765 12.910 1.617 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.515 15.232 2.313 1.00 0.00 C ATOM 0 H LEU A 45 -5.087 14.014 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.089 16.564 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.371 14.124 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.370 15.529 0.990 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.005 14.229 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.589 12.497 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.578 12.274 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.869 12.953 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.324 14.773 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.652 15.377 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.845 16.197 1.927 1.00 0.00 H new ATOM 640 N LEU A 46 -2.466 15.819 -2.267 1.00 0.00 N ATOM 641 CA LEU A 46 -1.324 16.400 -2.952 1.00 0.00 C ATOM 642 C LEU A 46 -1.711 17.774 -3.504 1.00 0.00 C ATOM 643 O LEU A 46 -1.076 18.777 -3.183 1.00 0.00 O ATOM 644 CB LEU A 46 -0.791 15.438 -4.015 1.00 0.00 C ATOM 645 CG LEU A 46 0.410 14.584 -3.605 1.00 0.00 C ATOM 646 CD1 LEU A 46 0.983 13.830 -4.807 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.471 15.432 -2.902 1.00 0.00 C ATOM 0 H LEU A 46 -2.592 14.819 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.501 16.556 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.601 14.772 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.516 16.018 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 46 0.069 13.836 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.836 13.231 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.217 13.177 -5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.305 14.544 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.314 14.801 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.814 16.217 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.042 15.884 -2.008 1.00 0.00 H new ATOM 659 N GLN A 47 -2.750 17.775 -4.326 1.00 0.00 N ATOM 660 CA GLN A 47 -3.228 19.009 -4.926 1.00 0.00 C ATOM 661 C GLN A 47 -3.615 20.013 -3.838 1.00 0.00 C ATOM 662 O GLN A 47 -3.391 21.213 -3.988 1.00 0.00 O ATOM 663 CB GLN A 47 -4.403 18.741 -5.868 1.00 0.00 C ATOM 664 CG GLN A 47 -4.035 17.693 -6.921 1.00 0.00 C ATOM 665 CD GLN A 47 -4.424 18.165 -8.324 1.00 0.00 C ATOM 666 OE1 GLN A 47 -4.870 19.282 -8.529 1.00 0.00 O ATOM 667 NE2 GLN A 47 -4.232 17.254 -9.273 1.00 0.00 N ATOM 0 H GLN A 47 -3.274 16.941 -4.591 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.421 19.439 -5.519 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.263 18.398 -5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.698 19.668 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.964 17.496 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.540 16.754 -6.696 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.855 16.338 -9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.462 17.471 -10.243 1.00 0.00 H new ATOM 676 N VAL A 48 -4.189 19.484 -2.768 1.00 0.00 N ATOM 677 CA VAL A 48 -4.609 20.319 -1.655 1.00 0.00 C ATOM 678 C VAL A 48 -3.380 20.970 -1.018 1.00 0.00 C ATOM 679 O VAL A 48 -3.328 22.189 -0.864 1.00 0.00 O ATOM 680 CB VAL A 48 -5.431 19.494 -0.662 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.931 20.364 0.492 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.595 18.792 -1.364 1.00 0.00 C ATOM 0 H VAL A 48 -4.373 18.488 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.257 21.122 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.780 18.726 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.512 19.753 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.079 20.796 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.558 21.164 0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.163 18.213 -0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.246 19.537 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.207 18.126 -2.134 1.00 0.00 H new ATOM 692 N LEU A 49 -2.419 20.127 -0.666 1.00 0.00 N ATOM 693 CA LEU A 49 -1.194 20.605 -0.050 1.00 0.00 C ATOM 694 C LEU A 49 -0.521 21.617 -0.979 1.00 0.00 C ATOM 695 O LEU A 49 -0.168 22.716 -0.554 1.00 0.00 O ATOM 696 CB LEU A 49 -0.293 19.429 0.333 1.00 0.00 C ATOM 697 CG LEU A 49 0.992 19.785 1.083 1.00 0.00 C ATOM 698 CD1 LEU A 49 2.182 19.865 0.125 1.00 0.00 C ATOM 699 CD2 LEU A 49 0.818 21.073 1.889 1.00 0.00 C ATOM 0 H LEU A 49 -2.465 19.116 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.415 21.125 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.871 18.740 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.023 18.893 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 49 1.204 18.987 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.083 20.120 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.320 18.901 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.993 20.631 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.746 21.303 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.568 21.893 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.015 20.942 2.615 1.00 0.00 H new ATOM 835 N ARG A 58 0.254 22.602 5.991 1.00 0.00 N ATOM 836 CA ARG A 58 1.187 21.872 5.150 1.00 0.00 C ATOM 837 C ARG A 58 1.790 20.697 5.923 1.00 0.00 C ATOM 838 O ARG A 58 1.843 19.577 5.416 1.00 0.00 O ATOM 839 CB ARG A 58 2.314 22.782 4.658 1.00 0.00 C ATOM 840 CG ARG A 58 1.808 23.754 3.591 1.00 0.00 C ATOM 841 CD ARG A 58 2.690 25.002 3.523 1.00 0.00 C ATOM 842 NE ARG A 58 3.296 25.122 2.179 1.00 0.00 N ATOM 843 CZ ARG A 58 4.334 24.387 1.754 1.00 0.00 C ATOM 844 NH1 ARG A 58 4.887 23.477 2.567 1.00 0.00 N ATOM 845 NH2 ARG A 58 4.818 24.564 0.517 1.00 0.00 N ATOM 0 HA ARG A 58 0.634 21.499 4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.727 23.341 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.123 22.176 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.796 23.259 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.781 24.042 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.096 25.889 3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.472 24.946 4.280 1.00 0.00 H new ATOM 0 HE ARG A 58 2.900 25.807 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.518 23.344 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.677 22.918 2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.397 25.258 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.608 24.005 0.193 1.00 0.00 H new ATOM 859 N CYS A 59 2.230 20.992 7.138 1.00 0.00 N ATOM 860 CA CYS A 59 2.826 19.974 7.985 1.00 0.00 C ATOM 861 C CYS A 59 1.826 18.826 8.135 1.00 0.00 C ATOM 862 O CYS A 59 2.142 17.678 7.825 1.00 0.00 O ATOM 863 CB CYS A 59 3.249 20.543 9.341 1.00 0.00 C ATOM 864 SG CYS A 59 4.897 19.897 9.805 1.00 0.00 S ATOM 0 H CYS A 59 2.185 21.922 7.555 1.00 0.00 H new ATOM 0 HA CYS A 59 3.739 19.600 7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.276 21.632 9.295 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.516 20.274 10.102 1.00 0.00 H new ATOM 0 HG CYS A 59 5.247 20.388 10.957 1.00 0.00 H new ATOM 870 N VAL A 60 0.639 19.175 8.609 1.00 0.00 N ATOM 871 CA VAL A 60 -0.409 18.189 8.804 1.00 0.00 C ATOM 872 C VAL A 60 -0.669 17.461 7.484 1.00 0.00 C ATOM 873 O VAL A 60 -0.594 16.234 7.422 1.00 0.00 O ATOM 874 CB VAL A 60 -1.661 18.860 9.373 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.813 17.861 9.491 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.364 19.518 10.722 1.00 0.00 C ATOM 0 H VAL A 60 0.380 20.128 8.864 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.098 17.441 9.533 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.967 19.642 8.679 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.690 18.364 9.898 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.049 17.460 8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.522 17.046 10.154 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.270 19.988 11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.021 18.762 11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.589 20.274 10.595 1.00 0.00 H new ATOM 886 N LEU A 61 -0.970 18.247 6.460 1.00 0.00 N ATOM 887 CA LEU A 61 -1.242 17.692 5.145 1.00 0.00 C ATOM 888 C LEU A 61 -0.107 16.745 4.752 1.00 0.00 C ATOM 889 O LEU A 61 -0.314 15.538 4.633 1.00 0.00 O ATOM 890 CB LEU A 61 -1.488 18.812 4.132 1.00 0.00 C ATOM 891 CG LEU A 61 -2.906 19.385 4.096 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.939 20.719 3.348 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.891 18.373 3.508 1.00 0.00 C ATOM 0 H LEU A 61 -1.031 19.264 6.515 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.158 17.102 5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.794 19.625 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.244 18.436 3.138 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.221 19.583 5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.958 21.105 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.286 21.433 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.596 20.571 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.892 18.805 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.590 18.121 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.894 17.471 4.120 1.00 0.00 H new ATOM 905 N ARG A 62 1.067 17.327 4.559 1.00 0.00 N ATOM 906 CA ARG A 62 2.235 16.550 4.181 1.00 0.00 C ATOM 907 C ARG A 62 2.360 15.312 5.073 1.00 0.00 C ATOM 908 O ARG A 62 2.839 14.270 4.630 1.00 0.00 O ATOM 909 CB ARG A 62 3.513 17.384 4.296 1.00 0.00 C ATOM 910 CG ARG A 62 3.653 18.338 3.108 1.00 0.00 C ATOM 911 CD ARG A 62 4.994 19.073 3.150 1.00 0.00 C ATOM 912 NE ARG A 62 5.782 18.759 1.938 1.00 0.00 N ATOM 913 CZ ARG A 62 7.008 19.241 1.692 1.00 0.00 C ATOM 914 NH1 ARG A 62 7.593 20.062 2.574 1.00 0.00 N ATOM 915 NH2 ARG A 62 7.648 18.901 0.565 1.00 0.00 N ATOM 0 H ARG A 62 1.235 18.328 4.657 1.00 0.00 H new ATOM 0 HA ARG A 62 2.107 16.243 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.497 17.954 5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.379 16.724 4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.570 17.779 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.837 19.061 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.827 20.148 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.550 18.781 4.041 1.00 0.00 H new ATOM 0 HE ARG A 62 5.366 18.136 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.105 20.320 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.526 20.429 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.202 18.275 -0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.581 19.268 0.378 1.00 0.00 H new ATOM 929 N THR A 63 1.922 15.469 6.313 1.00 0.00 N ATOM 930 CA THR A 63 1.979 14.378 7.270 1.00 0.00 C ATOM 931 C THR A 63 0.907 13.333 6.952 1.00 0.00 C ATOM 932 O THR A 63 1.113 12.140 7.173 1.00 0.00 O ATOM 933 CB THR A 63 1.849 14.973 8.674 1.00 0.00 C ATOM 934 OG1 THR A 63 3.195 15.223 9.070 1.00 0.00 O ATOM 935 CG2 THR A 63 1.343 13.955 9.697 1.00 0.00 C ATOM 0 H THR A 63 1.526 16.336 6.677 1.00 0.00 H new ATOM 0 HA THR A 63 2.931 13.850 7.211 1.00 0.00 H new ATOM 0 HB THR A 63 1.171 15.826 8.645 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.441 16.141 8.832 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.269 14.429 10.676 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.361 13.592 9.394 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.038 13.117 9.751 1.00 0.00 H new ATOM 943 N LYS A 64 -0.214 13.819 6.440 1.00 0.00 N ATOM 944 CA LYS A 64 -1.318 12.942 6.089 1.00 0.00 C ATOM 945 C LYS A 64 -0.991 12.214 4.784 1.00 0.00 C ATOM 946 O LYS A 64 -1.037 10.986 4.725 1.00 0.00 O ATOM 947 CB LYS A 64 -2.631 13.725 6.044 1.00 0.00 C ATOM 948 CG LYS A 64 -3.478 13.448 7.288 1.00 0.00 C ATOM 949 CD LYS A 64 -4.857 14.101 7.169 1.00 0.00 C ATOM 950 CE LYS A 64 -5.142 15.003 8.371 1.00 0.00 C ATOM 951 NZ LYS A 64 -6.512 14.770 8.881 1.00 0.00 N ATOM 0 H LYS A 64 -0.382 14.809 6.260 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.455 12.178 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.420 14.792 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.191 13.451 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.591 12.372 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.967 13.828 8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.908 14.686 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.624 13.330 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.416 14.808 9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.027 16.048 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.689 15.390 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.202 14.979 8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.609 13.777 9.174 1.00 0.00 H new ATOM 965 N ILE A 65 -0.668 13.002 3.769 1.00 0.00 N ATOM 966 CA ILE A 65 -0.333 12.448 2.468 1.00 0.00 C ATOM 967 C ILE A 65 0.691 11.325 2.645 1.00 0.00 C ATOM 968 O ILE A 65 0.391 10.160 2.391 1.00 0.00 O ATOM 969 CB ILE A 65 0.125 13.555 1.516 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.071 14.330 0.960 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.009 12.989 0.403 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.738 15.815 0.807 1.00 0.00 C ATOM 0 H ILE A 65 -0.631 14.020 3.821 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.214 12.005 2.004 1.00 0.00 H new ATOM 0 HB ILE A 65 0.732 14.262 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.359 13.917 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.926 14.212 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.321 13.796 -0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.889 12.519 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.447 12.248 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.605 16.343 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.474 16.231 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.102 15.931 0.122 1.00 0.00 H new ATOM 984 N SER A 66 1.881 11.716 3.078 1.00 0.00 N ATOM 985 CA SER A 66 2.952 10.757 3.292 1.00 0.00 C ATOM 986 C SER A 66 2.450 9.595 4.152 1.00 0.00 C ATOM 987 O SER A 66 2.677 8.432 3.823 1.00 0.00 O ATOM 988 CB SER A 66 4.162 11.421 3.951 1.00 0.00 C ATOM 989 OG SER A 66 5.027 10.468 4.562 1.00 0.00 O ATOM 0 H SER A 66 2.127 12.684 3.286 1.00 0.00 H new ATOM 0 HA SER A 66 3.266 10.373 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.717 11.987 3.203 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.820 12.134 4.701 1.00 0.00 H new ATOM 0 HG SER A 66 5.788 10.931 4.970 1.00 0.00 H new ATOM 995 N GLY A 67 1.777 9.951 5.236 1.00 0.00 N ATOM 996 CA GLY A 67 1.241 8.952 6.145 1.00 0.00 C ATOM 997 C GLY A 67 0.332 7.968 5.405 1.00 0.00 C ATOM 998 O GLY A 67 0.147 6.836 5.848 1.00 0.00 O ATOM 0 H GLY A 67 1.591 10.917 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.059 8.410 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.680 9.443 6.941 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.210 8.437 4.291 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.095 7.612 3.485 1.00 0.00 C ATOM 1004 C TYR A 68 -0.346 7.002 2.299 1.00 0.00 C ATOM 1005 O TYR A 68 -0.874 6.131 1.608 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.182 8.550 2.959 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.159 9.034 4.032 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.741 8.128 4.895 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.459 10.377 4.137 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.661 8.584 5.905 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.379 10.833 5.147 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.934 9.914 5.981 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.803 10.344 6.935 1.00 0.00 O ATOM 0 H TYR A 68 -0.054 9.377 3.927 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.501 6.792 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.708 9.416 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.742 8.038 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.507 7.077 4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.004 11.086 3.462 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.124 7.885 6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.622 11.881 5.240 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.756 9.749 7.712 1.00 0.00 H new ATOM 1023 N MET A 69 0.872 7.483 2.098 1.00 0.00 N ATOM 1024 CA MET A 69 1.699 6.996 1.007 1.00 0.00 C ATOM 1025 C MET A 69 2.460 5.734 1.417 1.00 0.00 C ATOM 1026 O MET A 69 2.534 4.773 0.653 1.00 0.00 O ATOM 1027 CB MET A 69 2.695 8.082 0.596 1.00 0.00 C ATOM 1028 CG MET A 69 2.001 9.189 -0.200 1.00 0.00 C ATOM 1029 SD MET A 69 3.144 9.912 -1.365 1.00 0.00 S ATOM 1030 CE MET A 69 2.980 8.759 -2.717 1.00 0.00 C ATOM 0 H MET A 69 1.306 8.205 2.673 1.00 0.00 H new ATOM 0 HA MET A 69 1.050 6.750 0.167 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.163 8.506 1.484 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.491 7.642 -0.004 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.139 8.782 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.627 9.956 0.478 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.631 9.064 -3.536 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.262 7.761 -2.381 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.946 8.747 -3.061 1.00 0.00 H new ATOM 1040 N ASP A 70 3.008 5.777 2.623 1.00 0.00 N ATOM 1041 CA ASP A 70 3.761 4.649 3.144 1.00 0.00 C ATOM 1042 C ASP A 70 2.883 3.396 3.110 1.00 0.00 C ATOM 1043 O ASP A 70 3.275 2.374 2.549 1.00 0.00 O ATOM 1044 CB ASP A 70 4.183 4.891 4.594 1.00 0.00 C ATOM 1045 CG ASP A 70 5.353 4.033 5.079 1.00 0.00 C ATOM 1046 OD1 ASP A 70 5.744 3.123 4.316 1.00 0.00 O ATOM 1047 OD2 ASP A 70 5.831 4.307 6.201 1.00 0.00 O ATOM 0 H ASP A 70 2.945 6.576 3.254 1.00 0.00 H new ATOM 0 HA ASP A 70 4.650 4.523 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.451 5.941 4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.325 4.708 5.241 1.00 0.00 H new ATOM 1052 N ARG A 71 1.712 3.516 3.718 1.00 0.00 N ATOM 1053 CA ARG A 71 0.776 2.406 3.764 1.00 0.00 C ATOM 1054 C ARG A 71 0.467 1.912 2.349 1.00 0.00 C ATOM 1055 O ARG A 71 0.613 0.726 2.057 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.529 2.815 4.450 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.376 1.588 4.793 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.600 0.617 5.686 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.537 -0.301 6.370 1.00 0.00 N ATOM 1060 CZ ARG A 71 -1.176 -1.464 6.930 1.00 0.00 C ATOM 1061 NH1 ARG A 71 0.105 -1.857 6.889 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.094 -2.233 7.529 1.00 0.00 N ATOM 0 H ARG A 71 1.390 4.365 4.183 1.00 0.00 H new ATOM 0 HA ARG A 71 1.240 1.605 4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.307 3.373 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.094 3.481 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.289 1.902 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.678 1.082 3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.109 0.046 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.019 1.172 6.423 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.520 -0.032 6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.804 -1.271 6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.381 -2.742 7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.069 -1.934 7.559 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.819 -3.118 7.955 1.00 0.00 H new ATOM 1076 N ALA A 72 0.047 2.847 1.509 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.283 2.521 0.132 1.00 0.00 C ATOM 1078 C ALA A 72 0.841 1.677 -0.471 1.00 0.00 C ATOM 1079 O ALA A 72 0.593 0.599 -1.009 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.528 3.811 -0.653 1.00 0.00 C ATOM 0 H ALA A 72 -0.072 3.830 1.755 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.199 1.932 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.776 3.567 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.354 4.360 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.371 4.427 -0.631 1.00 0.00 H new ATOM 1086 N GLU A 73 2.054 2.198 -0.362 1.00 0.00 N ATOM 1087 CA GLU A 73 3.217 1.506 -0.890 1.00 0.00 C ATOM 1088 C GLU A 73 3.276 0.076 -0.348 1.00 0.00 C ATOM 1089 O GLU A 73 3.120 -0.884 -1.100 1.00 0.00 O ATOM 1090 CB GLU A 73 4.504 2.268 -0.566 1.00 0.00 C ATOM 1091 CG GLU A 73 5.068 2.947 -1.815 1.00 0.00 C ATOM 1092 CD GLU A 73 6.596 2.878 -1.834 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.180 2.920 -0.730 1.00 0.00 O ATOM 1094 OE2 GLU A 73 7.146 2.784 -2.953 1.00 0.00 O ATOM 0 H GLU A 73 2.257 3.092 0.085 1.00 0.00 H new ATOM 0 HA GLU A 73 3.125 1.459 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.304 3.017 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.244 1.581 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.668 2.466 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.747 3.988 -1.843 1.00 0.00 H new ATOM 1101 N ASN A 74 3.500 -0.020 0.955 1.00 0.00 N ATOM 1102 CA ASN A 74 3.581 -1.315 1.607 1.00 0.00 C ATOM 1103 C ASN A 74 2.533 -2.252 1.003 1.00 0.00 C ATOM 1104 O ASN A 74 2.800 -3.433 0.788 1.00 0.00 O ATOM 1105 CB ASN A 74 3.301 -1.196 3.106 1.00 0.00 C ATOM 1106 CG ASN A 74 4.568 -1.457 3.923 1.00 0.00 C ATOM 1107 OD1 ASN A 74 5.298 -2.408 3.697 1.00 0.00 O ATOM 1108 ND2 ASN A 74 4.786 -0.563 4.883 1.00 0.00 N ATOM 0 H ASN A 74 3.628 0.779 1.576 1.00 0.00 H new ATOM 0 HA ASN A 74 4.588 -1.704 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.918 -0.200 3.330 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.526 -1.907 3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.605 -0.650 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.134 0.210 5.018 1.00 0.00 H new ATOM 1115 N ILE A 75 1.361 -1.689 0.746 1.00 0.00 N ATOM 1116 CA ILE A 75 0.271 -2.459 0.171 1.00 0.00 C ATOM 1117 C ILE A 75 0.621 -2.832 -1.270 1.00 0.00 C ATOM 1118 O ILE A 75 0.741 -4.011 -1.598 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.051 -1.700 0.307 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.575 -1.763 1.743 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.082 -2.209 -0.702 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.698 -0.747 1.962 1.00 0.00 C ATOM 0 H ILE A 75 1.143 -0.709 0.925 1.00 0.00 H new ATOM 0 HA ILE A 75 0.134 -3.392 0.717 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.867 -0.650 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.941 -2.767 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.761 -1.566 2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.012 -1.653 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.701 -2.069 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.268 -3.269 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.053 -0.813 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.322 0.258 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.521 -0.962 1.280 1.00 0.00 H new ATOM 1134 N LYS A 76 0.774 -1.805 -2.093 1.00 0.00 N ATOM 1135 CA LYS A 76 1.108 -2.010 -3.492 1.00 0.00 C ATOM 1136 C LYS A 76 2.258 -3.015 -3.596 1.00 0.00 C ATOM 1137 O LYS A 76 2.171 -3.987 -4.344 1.00 0.00 O ATOM 1138 CB LYS A 76 1.397 -0.672 -4.176 1.00 0.00 C ATOM 1139 CG LYS A 76 0.169 -0.168 -4.936 1.00 0.00 C ATOM 1140 CD LYS A 76 0.493 0.061 -6.413 1.00 0.00 C ATOM 1141 CE LYS A 76 1.207 1.399 -6.617 1.00 0.00 C ATOM 1142 NZ LYS A 76 1.288 1.729 -8.057 1.00 0.00 N ATOM 0 H LYS A 76 0.673 -0.828 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 76 0.260 -2.438 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.695 0.065 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.234 -0.785 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.641 -0.892 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.183 0.762 -4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.121 -0.750 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.427 0.043 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.673 2.187 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.210 1.351 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.775 2.640 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.817 0.985 -8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.328 1.795 -8.453 1.00 0.00 H new ATOM 1156 N LYS A 77 3.308 -2.745 -2.834 1.00 0.00 N ATOM 1157 CA LYS A 77 4.473 -3.613 -2.831 1.00 0.00 C ATOM 1158 C LYS A 77 4.037 -5.042 -2.504 1.00 0.00 C ATOM 1159 O LYS A 77 4.665 -6.003 -2.946 1.00 0.00 O ATOM 1160 CB LYS A 77 5.546 -3.066 -1.888 1.00 0.00 C ATOM 1161 CG LYS A 77 6.457 -2.072 -2.611 1.00 0.00 C ATOM 1162 CD LYS A 77 5.767 -0.716 -2.776 1.00 0.00 C ATOM 1163 CE LYS A 77 4.947 -0.671 -4.067 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.728 -0.041 -5.155 1.00 0.00 N ATOM 0 H LYS A 77 3.376 -1.937 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 77 4.933 -3.638 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.072 -2.577 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.141 -3.889 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.383 -1.947 -2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.729 -2.467 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.117 -0.528 -1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.514 0.077 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.658 -1.681 -4.357 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.026 -0.111 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.157 -0.018 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.982 0.930 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.594 -0.591 -5.324 1.00 0.00 H new ATOM 1178 N TYR A 78 2.965 -5.138 -1.731 1.00 0.00 N ATOM 1179 CA TYR A 78 2.438 -6.434 -1.339 1.00 0.00 C ATOM 1180 C TYR A 78 1.414 -6.940 -2.356 1.00 0.00 C ATOM 1181 O TYR A 78 1.192 -8.144 -2.473 1.00 0.00 O ATOM 1182 CB TYR A 78 1.740 -6.217 0.005 1.00 0.00 C ATOM 1183 CG TYR A 78 0.480 -7.064 0.196 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.585 -8.366 0.640 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.761 -6.525 -0.076 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.601 -9.163 0.820 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -1.947 -7.322 0.104 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.808 -8.601 0.543 1.00 0.00 C ATOM 1189 OH TYR A 78 -2.929 -9.354 0.712 1.00 0.00 O ATOM 0 H TYR A 78 2.447 -4.339 -1.366 1.00 0.00 H new ATOM 0 HA TYR A 78 3.239 -7.171 -1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.442 -6.442 0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.475 -5.164 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.556 -8.787 0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.843 -5.506 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.533 -10.184 1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.924 -6.913 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.718 -8.823 0.477 1.00 0.00 H new ATOM 1199 N LEU A 79 0.817 -5.995 -3.067 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.179 -6.329 -4.071 1.00 0.00 C ATOM 1201 C LEU A 79 0.525 -6.820 -5.337 1.00 0.00 C ATOM 1202 O LEU A 79 0.092 -7.792 -5.955 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.119 -5.146 -4.309 1.00 0.00 C ATOM 1204 CG LEU A 79 -1.965 -4.709 -3.111 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.779 -3.457 -3.442 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.851 -5.855 -2.619 1.00 0.00 C ATOM 0 H LEU A 79 1.004 -4.997 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.813 -7.144 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.523 -4.294 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.790 -5.400 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.292 -4.448 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.371 -3.168 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.104 -2.644 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.443 -3.666 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.442 -5.518 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.518 -6.170 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.225 -6.695 -2.317 1.00 0.00 H new