USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 541 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 13 THR OG1 : rot 180:sc= -0.949 USER MOD Single : A 18 GLN : amide:sc= -2.89 K(o=-2.9,f=-0.78) USER MOD Single : A 20 SER OG : rot -34:sc= 1.13 USER MOD Single : A 23 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.057) USER MOD Single : A 25 SER OG : rot 180:sc= -0.674 USER MOD Single : A 36 THR OG1 : rot -29:sc= 0.571 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -63:sc= -0.613! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 20:sc= 0.116 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.256 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.849 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 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 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 10.424 19.040 3.592 1.00 0.00 N ATOM 148 CA THR A 13 10.882 18.306 4.765 1.00 0.00 C ATOM 149 C THR A 13 10.464 16.841 4.694 1.00 0.00 C ATOM 150 O THR A 13 9.366 16.505 4.251 1.00 0.00 O ATOM 151 CB THR A 13 10.333 18.923 6.065 1.00 0.00 C ATOM 152 OG1 THR A 13 11.231 18.662 7.149 1.00 0.00 O ATOM 153 CG2 THR A 13 8.958 18.359 6.392 1.00 0.00 C ATOM 0 HA THR A 13 11.970 18.371 4.773 1.00 0.00 H new ATOM 0 HB THR A 13 10.243 20.000 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.875 19.059 7.971 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.590 18.809 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.269 18.585 5.578 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.029 17.279 6.519 1.00 0.00 H new ATOM 161 N PRO A 14 11.359 15.947 5.142 1.00 0.00 N ATOM 162 CA PRO A 14 11.103 14.504 5.141 1.00 0.00 C ATOM 163 C PRO A 14 10.045 14.102 6.161 1.00 0.00 C ATOM 164 O PRO A 14 9.756 14.847 7.097 1.00 0.00 O ATOM 165 CB PRO A 14 12.462 13.904 5.514 1.00 0.00 C ATOM 166 CG PRO A 14 13.152 14.978 6.280 1.00 0.00 C ATOM 167 CD PRO A 14 12.688 16.278 5.683 1.00 0.00 C ATOM 0 HA PRO A 14 10.717 14.159 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.345 13.002 6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.029 13.624 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.901 14.924 7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.235 14.878 6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.632 17.068 6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.365 16.627 4.903 1.00 0.00 H new ATOM 175 N VAL A 15 9.468 12.918 5.975 1.00 0.00 N ATOM 176 CA VAL A 15 8.442 12.417 6.880 1.00 0.00 C ATOM 177 C VAL A 15 8.516 10.899 7.008 1.00 0.00 C ATOM 178 O VAL A 15 8.994 10.212 6.105 1.00 0.00 O ATOM 179 CB VAL A 15 7.031 12.812 6.404 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.058 12.826 7.573 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.063 14.165 5.710 1.00 0.00 C ATOM 0 H VAL A 15 9.695 12.289 5.205 1.00 0.00 H new ATOM 0 HA VAL A 15 8.630 12.871 7.853 1.00 0.00 H new ATOM 0 HB VAL A 15 6.687 12.068 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.067 13.107 7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.015 11.834 8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.395 13.547 8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.058 14.429 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.427 14.922 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.727 14.116 4.847 1.00 0.00 H new ATOM 191 N PHE A 16 8.041 10.383 8.137 1.00 0.00 N ATOM 192 CA PHE A 16 8.054 8.945 8.384 1.00 0.00 C ATOM 193 C PHE A 16 6.704 8.472 8.915 1.00 0.00 C ATOM 194 O PHE A 16 6.194 9.003 9.902 1.00 0.00 O ATOM 195 CB PHE A 16 9.160 8.587 9.378 1.00 0.00 C ATOM 196 CG PHE A 16 9.762 7.231 9.143 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.733 7.048 8.173 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.356 6.139 9.893 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.288 5.802 7.954 1.00 0.00 C ATOM 200 CE2 PHE A 16 9.908 4.890 9.680 1.00 0.00 C ATOM 201 CZ PHE A 16 10.875 4.721 8.709 1.00 0.00 C ATOM 0 H PHE A 16 7.643 10.938 8.895 1.00 0.00 H new ATOM 0 HA PHE A 16 8.249 8.441 7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.946 9.340 9.321 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.755 8.626 10.389 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.060 7.889 7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.599 6.265 10.653 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.044 5.673 7.193 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.583 4.047 10.272 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.308 3.746 8.540 1.00 0.00 H new ATOM 211 N GLU A 17 6.131 7.472 8.253 1.00 0.00 N ATOM 212 CA GLU A 17 4.840 6.929 8.658 1.00 0.00 C ATOM 213 C GLU A 17 4.819 5.410 8.517 1.00 0.00 C ATOM 214 O GLU A 17 5.506 4.848 7.664 1.00 0.00 O ATOM 215 CB GLU A 17 3.717 7.545 7.822 1.00 0.00 C ATOM 216 CG GLU A 17 2.470 7.875 8.624 1.00 0.00 C ATOM 217 CD GLU A 17 2.691 9.006 9.610 1.00 0.00 C ATOM 218 OE1 GLU A 17 3.053 10.116 9.165 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.503 8.783 10.823 1.00 0.00 O ATOM 0 H GLU A 17 6.540 7.022 7.434 1.00 0.00 H new ATOM 0 HA GLU A 17 4.683 7.181 9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.086 8.455 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.451 6.855 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.665 8.146 7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.144 6.986 9.164 1.00 0.00 H new ATOM 226 N GLN A 18 4.028 4.754 9.358 1.00 0.00 N ATOM 227 CA GLN A 18 3.919 3.300 9.327 1.00 0.00 C ATOM 228 C GLN A 18 2.489 2.867 9.018 1.00 0.00 C ATOM 229 O GLN A 18 1.529 3.523 9.426 1.00 0.00 O ATOM 230 CB GLN A 18 4.367 2.705 10.663 1.00 0.00 C ATOM 231 CG GLN A 18 5.793 2.177 10.646 1.00 0.00 C ATOM 232 CD GLN A 18 6.000 1.026 11.611 1.00 0.00 C ATOM 233 OE1 GLN A 18 5.543 1.068 12.753 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.694 -0.011 11.155 1.00 0.00 N ATOM 0 H GLN A 18 3.453 5.205 10.069 1.00 0.00 H new ATOM 0 HA GLN A 18 4.570 2.929 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.279 3.466 11.438 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.691 1.894 10.935 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.043 1.850 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.479 2.986 10.898 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.054 -0.004 10.201 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.866 -0.815 11.759 1.00 0.00 H new ATOM 243 N LEU A 19 2.354 1.760 8.297 1.00 0.00 N ATOM 244 CA LEU A 19 1.040 1.240 7.932 1.00 0.00 C ATOM 245 C LEU A 19 1.004 -0.280 8.056 1.00 0.00 C ATOM 246 O LEU A 19 1.736 -0.987 7.364 1.00 0.00 O ATOM 247 CB LEU A 19 0.683 1.655 6.504 1.00 0.00 C ATOM 248 CG LEU A 19 -0.423 2.702 6.367 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.045 3.978 7.103 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.702 2.993 4.899 1.00 0.00 C ATOM 0 H LEU A 19 3.138 1.205 7.953 1.00 0.00 H new ATOM 0 HA LEU A 19 0.306 1.661 8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.582 2.040 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.383 0.764 5.952 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.332 2.304 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.844 4.711 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.104 3.758 8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.877 4.381 6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.492 3.740 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.204 3.371 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.018 2.077 4.400 1.00 0.00 H new ATOM 262 N SER A 20 0.146 -0.776 8.942 1.00 0.00 N ATOM 263 CA SER A 20 0.014 -2.212 9.157 1.00 0.00 C ATOM 264 C SER A 20 -1.028 -2.810 8.218 1.00 0.00 C ATOM 265 O SER A 20 -2.212 -2.483 8.297 1.00 0.00 O ATOM 266 CB SER A 20 -0.370 -2.498 10.610 1.00 0.00 C ATOM 267 OG SER A 20 -1.751 -2.794 10.724 1.00 0.00 O ATOM 0 H SER A 20 -0.468 -0.204 9.522 1.00 0.00 H new ATOM 0 HA SER A 20 0.977 -2.675 8.944 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.217 -3.336 10.986 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.128 -1.635 11.230 1.00 0.00 H new ATOM 0 HG SER A 20 -2.254 -2.265 10.070 1.00 0.00 H new ATOM 273 N VAL A 21 -0.578 -3.687 7.326 1.00 0.00 N ATOM 274 CA VAL A 21 -1.471 -4.332 6.370 1.00 0.00 C ATOM 275 C VAL A 21 -1.497 -5.842 6.576 1.00 0.00 C ATOM 276 O VAL A 21 -0.530 -6.448 7.037 1.00 0.00 O ATOM 277 CB VAL A 21 -1.052 -4.030 4.919 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.740 -2.550 4.750 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.143 -4.883 4.520 1.00 0.00 C ATOM 0 H VAL A 21 0.399 -3.967 7.245 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.468 -3.927 6.544 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.884 -4.280 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.446 -2.356 3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.625 -1.962 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.075 -2.271 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.425 -4.656 3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.981 -4.667 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.120 -5.938 4.600 1.00 0.00 H new ATOM 289 N PRO A 22 -2.631 -6.467 6.226 1.00 0.00 N ATOM 290 CA PRO A 22 -2.811 -7.915 6.362 1.00 0.00 C ATOM 291 C PRO A 22 -1.958 -8.701 5.373 1.00 0.00 C ATOM 292 O PRO A 22 -1.588 -8.191 4.316 1.00 0.00 O ATOM 293 CB PRO A 22 -4.299 -8.117 6.063 1.00 0.00 C ATOM 294 CG PRO A 22 -4.674 -6.958 5.205 1.00 0.00 C ATOM 295 CD PRO A 22 -3.825 -5.808 5.670 1.00 0.00 C ATOM 0 HA PRO A 22 -2.507 -8.273 7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.475 -9.063 5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.888 -8.138 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.493 -7.177 4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.734 -6.726 5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.569 -5.140 4.848 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.339 -5.207 6.421 1.00 0.00 H new ATOM 303 N GLN A 23 -1.649 -9.945 5.723 1.00 0.00 N ATOM 304 CA GLN A 23 -0.839 -10.801 4.865 1.00 0.00 C ATOM 305 C GLN A 23 -1.624 -11.234 3.630 1.00 0.00 C ATOM 306 O GLN A 23 -1.055 -11.767 2.677 1.00 0.00 O ATOM 307 CB GLN A 23 -0.363 -12.032 5.638 1.00 0.00 C ATOM 308 CG GLN A 23 -1.445 -13.081 5.838 1.00 0.00 C ATOM 309 CD GLN A 23 -0.953 -14.285 6.617 1.00 0.00 C ATOM 310 OE1 GLN A 23 -1.601 -14.735 7.562 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.199 -14.815 6.224 1.00 0.00 N ATOM 0 H GLN A 23 -1.947 -10.383 6.595 1.00 0.00 H new ATOM 0 HA GLN A 23 0.029 -10.228 4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.475 -12.483 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.010 -11.717 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.288 -12.632 6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.813 -13.408 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.704 -14.410 5.435 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.579 -15.627 6.711 1.00 0.00 H new ATOM 320 N ARG A 24 -2.931 -11.003 3.656 1.00 0.00 N ATOM 321 CA ARG A 24 -3.795 -11.370 2.540 1.00 0.00 C ATOM 322 C ARG A 24 -3.830 -10.262 1.492 1.00 0.00 C ATOM 323 O ARG A 24 -4.136 -10.507 0.326 1.00 0.00 O ATOM 324 CB ARG A 24 -5.212 -11.662 3.038 1.00 0.00 C ATOM 325 CG ARG A 24 -6.002 -10.413 3.390 1.00 0.00 C ATOM 326 CD ARG A 24 -6.918 -10.652 4.581 1.00 0.00 C ATOM 327 NE ARG A 24 -8.328 -10.627 4.201 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.954 -11.652 3.633 1.00 0.00 C ATOM 329 NH1 ARG A 24 -8.298 -12.777 3.382 1.00 0.00 N ATOM 330 NH2 ARG A 24 -10.239 -11.553 3.316 1.00 0.00 N ATOM 0 H ARG A 24 -3.416 -10.563 4.438 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.388 -12.270 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.750 -12.218 2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.154 -12.305 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.315 -9.598 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.595 -10.101 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.681 -11.615 5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.733 -9.891 5.339 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.861 -9.776 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.311 -12.857 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.781 -13.562 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.747 -10.690 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.719 -12.340 2.880 1.00 0.00 H new ATOM 344 N SER A 25 -3.515 -9.043 1.917 1.00 0.00 N ATOM 345 CA SER A 25 -3.515 -7.895 1.017 1.00 0.00 C ATOM 346 C SER A 25 -2.090 -7.447 0.708 1.00 0.00 C ATOM 347 O SER A 25 -1.864 -6.627 -0.181 1.00 0.00 O ATOM 348 CB SER A 25 -4.304 -6.739 1.632 1.00 0.00 C ATOM 349 OG SER A 25 -5.543 -7.185 2.153 1.00 0.00 O ATOM 0 H SER A 25 -3.256 -8.824 2.879 1.00 0.00 H new ATOM 0 HA SER A 25 -3.992 -8.195 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.718 -6.277 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.479 -5.972 0.877 1.00 0.00 H new ATOM 0 HG SER A 25 -6.027 -6.426 2.542 1.00 0.00 H new ATOM 355 N VAL A 26 -1.131 -7.993 1.450 1.00 0.00 N ATOM 356 CA VAL A 26 0.273 -7.651 1.256 1.00 0.00 C ATOM 357 C VAL A 26 0.791 -8.189 -0.073 1.00 0.00 C ATOM 358 O VAL A 26 1.791 -7.706 -0.603 1.00 0.00 O ATOM 359 CB VAL A 26 1.148 -8.205 2.397 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.334 -9.706 2.247 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.492 -7.492 2.429 1.00 0.00 C ATOM 0 H VAL A 26 -1.301 -8.674 2.190 1.00 0.00 H new ATOM 0 HA VAL A 26 0.337 -6.563 1.254 1.00 0.00 H new ATOM 0 HB VAL A 26 0.641 -8.020 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.955 -10.079 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.362 -10.198 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.819 -9.919 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.098 -7.895 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.007 -7.644 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.334 -6.425 2.589 1.00 0.00 H new ATOM 371 N GLY A 27 0.101 -9.192 -0.609 1.00 0.00 N ATOM 372 CA GLY A 27 0.506 -9.778 -1.873 1.00 0.00 C ATOM 373 C GLY A 27 0.089 -8.936 -3.063 1.00 0.00 C ATOM 374 O GLY A 27 0.707 -9.002 -4.125 1.00 0.00 O ATOM 0 H GLY A 27 -0.731 -9.609 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.589 -9.903 -1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.070 -10.773 -1.965 1.00 0.00 H new ATOM 378 N ARG A 28 -0.963 -8.144 -2.886 1.00 0.00 N ATOM 379 CA ARG A 28 -1.464 -7.288 -3.955 1.00 0.00 C ATOM 380 C ARG A 28 -0.827 -5.903 -3.887 1.00 0.00 C ATOM 381 O ARG A 28 -0.799 -5.172 -4.876 1.00 0.00 O ATOM 382 CB ARG A 28 -2.986 -7.166 -3.869 1.00 0.00 C ATOM 383 CG ARG A 28 -3.623 -6.595 -5.125 1.00 0.00 C ATOM 384 CD ARG A 28 -4.204 -7.692 -6.004 1.00 0.00 C ATOM 385 NE ARG A 28 -3.190 -8.300 -6.862 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.473 -8.965 -7.977 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.733 -9.104 -8.367 1.00 0.00 N ATOM 388 NH2 ARG A 28 -2.495 -9.489 -8.704 1.00 0.00 N ATOM 0 H ARG A 28 -1.485 -8.077 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.196 -7.745 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.410 -8.150 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.244 -6.532 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.410 -5.894 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.879 -6.032 -5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.655 -8.460 -5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.001 -7.278 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.211 -8.209 -6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.487 -8.700 -7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.948 -9.615 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.525 -9.382 -8.407 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.713 -9.999 -9.560 1.00 0.00 H new ATOM 402 N ILE A 29 -0.317 -5.551 -2.711 1.00 0.00 N ATOM 403 CA ILE A 29 0.320 -4.254 -2.513 1.00 0.00 C ATOM 404 C ILE A 29 1.798 -4.306 -2.883 1.00 0.00 C ATOM 405 O ILE A 29 2.325 -3.385 -3.508 1.00 0.00 O ATOM 406 CB ILE A 29 0.183 -3.776 -1.056 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.287 -3.773 -0.633 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.789 -2.390 -0.894 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.490 -3.980 0.852 1.00 0.00 C ATOM 0 H ILE A 29 -0.332 -6.145 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.191 -3.548 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 29 0.726 -4.466 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.738 -2.825 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.814 -4.557 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.684 -2.066 0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.846 -2.422 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.272 -1.688 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.556 -3.966 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.069 -4.941 1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.992 -3.182 1.402 1.00 0.00 H new ATOM 421 N ILE A 30 2.463 -5.389 -2.493 1.00 0.00 N ATOM 422 CA ILE A 30 3.880 -5.562 -2.786 1.00 0.00 C ATOM 423 C ILE A 30 4.083 -6.214 -4.150 1.00 0.00 C ATOM 424 O ILE A 30 5.139 -6.071 -4.766 1.00 0.00 O ATOM 425 CB ILE A 30 4.576 -6.417 -1.712 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.802 -5.596 -0.441 1.00 0.00 C ATOM 427 CG2 ILE A 30 5.896 -6.960 -2.240 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.181 -4.980 -0.357 1.00 0.00 C ATOM 0 H ILE A 30 2.043 -6.159 -1.973 1.00 0.00 H new ATOM 0 HA ILE A 30 4.326 -4.567 -2.791 1.00 0.00 H new ATOM 0 HB ILE A 30 3.930 -7.260 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.055 -4.803 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.645 -6.235 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.376 -7.562 -1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.710 -7.577 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.549 -6.130 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.270 -4.413 0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.933 -5.769 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.334 -4.314 -1.206 1.00 0.00 H new ATOM 440 N GLY A 31 3.064 -6.928 -4.616 1.00 0.00 N ATOM 441 CA GLY A 31 3.151 -7.590 -5.905 1.00 0.00 C ATOM 442 C GLY A 31 3.643 -9.020 -5.791 1.00 0.00 C ATOM 443 O GLY A 31 3.328 -9.716 -4.827 1.00 0.00 O ATOM 0 H GLY A 31 2.180 -7.060 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.170 -7.583 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.823 -7.028 -6.554 1.00 0.00 H new ATOM 447 N ARG A 32 4.416 -9.459 -6.780 1.00 0.00 N ATOM 448 CA ARG A 32 4.949 -10.815 -6.787 1.00 0.00 C ATOM 449 C ARG A 32 6.389 -10.836 -6.281 1.00 0.00 C ATOM 450 O ARG A 32 7.193 -11.668 -6.702 1.00 0.00 O ATOM 451 CB ARG A 32 4.883 -11.404 -8.197 1.00 0.00 C ATOM 452 CG ARG A 32 5.698 -10.628 -9.220 1.00 0.00 C ATOM 453 CD ARG A 32 6.642 -11.539 -9.988 1.00 0.00 C ATOM 454 NE ARG A 32 7.851 -10.839 -10.415 1.00 0.00 N ATOM 455 CZ ARG A 32 7.902 -10.039 -11.473 1.00 0.00 C ATOM 456 NH1 ARG A 32 6.817 -9.836 -12.208 1.00 0.00 N ATOM 457 NH2 ARG A 32 9.039 -9.437 -11.798 1.00 0.00 N ATOM 0 H ARG A 32 4.686 -8.895 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 32 4.339 -11.422 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.238 -12.434 -8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.843 -11.434 -8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.026 -10.127 -9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.271 -9.850 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.917 -12.388 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.128 -11.941 -10.861 1.00 0.00 H new ATOM 0 HE ARG A 32 8.703 -10.972 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.940 -10.295 -11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.859 -9.221 -13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.876 -9.589 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.076 -8.823 -12.611 1.00 0.00 H new ATOM 471 N GLY A 33 6.706 -9.915 -5.378 1.00 0.00 N ATOM 472 CA GLY A 33 8.049 -9.845 -4.830 1.00 0.00 C ATOM 473 C GLY A 33 8.538 -8.419 -4.676 1.00 0.00 C ATOM 474 O GLY A 33 9.555 -8.170 -4.029 1.00 0.00 O ATOM 0 H GLY A 33 6.058 -9.216 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.068 -10.339 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.732 -10.392 -5.480 1.00 0.00 H new ATOM 478 N GLY A 34 7.813 -7.478 -5.274 1.00 0.00 N ATOM 479 CA GLY A 34 8.196 -6.080 -5.189 1.00 0.00 C ATOM 480 C GLY A 34 7.847 -5.306 -6.444 1.00 0.00 C ATOM 481 O GLY A 34 7.599 -4.103 -6.389 1.00 0.00 O ATOM 0 H GLY A 34 6.968 -7.659 -5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.700 -5.622 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.269 -6.011 -5.010 1.00 0.00 H new ATOM 485 N GLU A 35 7.829 -5.999 -7.580 1.00 0.00 N ATOM 486 CA GLU A 35 7.510 -5.366 -8.855 1.00 0.00 C ATOM 487 C GLU A 35 6.393 -4.340 -8.688 1.00 0.00 C ATOM 488 O GLU A 35 6.320 -3.360 -9.430 1.00 0.00 O ATOM 489 CB GLU A 35 7.100 -6.422 -9.883 1.00 0.00 C ATOM 490 CG GLU A 35 5.768 -7.086 -9.575 1.00 0.00 C ATOM 491 CD GLU A 35 4.612 -6.448 -10.319 1.00 0.00 C ATOM 492 OE1 GLU A 35 4.255 -5.298 -9.985 1.00 0.00 O ATOM 493 OE2 GLU A 35 4.064 -7.096 -11.235 1.00 0.00 O ATOM 0 H GLU A 35 8.031 -6.997 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 35 8.402 -4.850 -9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.046 -5.957 -10.867 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.875 -7.187 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.824 -8.143 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.579 -7.032 -8.503 1.00 0.00 H new ATOM 500 N THR A 36 5.525 -4.572 -7.709 1.00 0.00 N ATOM 501 CA THR A 36 4.411 -3.671 -7.446 1.00 0.00 C ATOM 502 C THR A 36 4.780 -2.632 -6.393 1.00 0.00 C ATOM 503 O THR A 36 4.324 -1.489 -6.449 1.00 0.00 O ATOM 504 CB THR A 36 3.163 -4.441 -6.974 1.00 0.00 C ATOM 505 OG1 THR A 36 2.814 -5.445 -7.933 1.00 0.00 O ATOM 506 CG2 THR A 36 1.989 -3.497 -6.769 1.00 0.00 C ATOM 0 H THR A 36 5.572 -5.377 -7.085 1.00 0.00 H new ATOM 0 HA THR A 36 4.185 -3.168 -8.386 1.00 0.00 H new ATOM 0 HB THR A 36 3.396 -4.916 -6.021 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.101 -5.159 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.120 -4.064 -6.436 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.248 -2.753 -6.015 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.757 -2.996 -7.709 1.00 0.00 H new ATOM 514 N ILE A 37 5.610 -3.036 -5.437 1.00 0.00 N ATOM 515 CA ILE A 37 6.043 -2.137 -4.373 1.00 0.00 C ATOM 516 C ILE A 37 7.053 -1.119 -4.891 1.00 0.00 C ATOM 517 O ILE A 37 7.351 -0.129 -4.220 1.00 0.00 O ATOM 518 CB ILE A 37 6.669 -2.916 -3.201 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.488 -2.141 -1.893 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.144 -3.178 -3.467 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.046 -1.804 -1.586 1.00 0.00 C ATOM 0 H ILE A 37 5.996 -3.978 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 37 5.155 -1.614 -4.018 1.00 0.00 H new ATOM 0 HB ILE A 37 6.161 -3.876 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.898 -2.729 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.066 -1.218 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.572 -3.729 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.251 -3.764 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.667 -2.229 -3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.993 -1.255 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.637 -1.190 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.467 -2.724 -1.503 1.00 0.00 H new ATOM 533 N ARG A 38 7.575 -1.366 -6.087 1.00 0.00 N ATOM 534 CA ARG A 38 8.551 -0.470 -6.695 1.00 0.00 C ATOM 535 C ARG A 38 7.857 0.622 -7.504 1.00 0.00 C ATOM 536 O ARG A 38 8.220 1.795 -7.421 1.00 0.00 O ATOM 537 CB ARG A 38 9.506 -1.257 -7.594 1.00 0.00 C ATOM 538 CG ARG A 38 10.353 -2.271 -6.844 1.00 0.00 C ATOM 539 CD ARG A 38 11.660 -2.553 -7.569 1.00 0.00 C ATOM 540 NE ARG A 38 12.791 -2.633 -6.649 1.00 0.00 N ATOM 541 CZ ARG A 38 13.017 -3.670 -5.850 1.00 0.00 C ATOM 542 NH1 ARG A 38 12.194 -4.711 -5.861 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.068 -3.669 -5.040 1.00 0.00 N ATOM 0 H ARG A 38 7.338 -2.180 -6.655 1.00 0.00 H new ATOM 0 HA ARG A 38 9.122 0.002 -5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.927 -1.775 -8.359 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.164 -0.558 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.565 -1.899 -5.842 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.793 -3.199 -6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.574 -3.490 -8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.844 -1.768 -8.302 1.00 0.00 H new ATOM 0 HE ARG A 38 13.443 -1.850 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.386 -4.716 -6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.369 -5.506 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.704 -2.871 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.240 -4.466 -4.427 1.00 0.00 H new ATOM 557 N SER A 39 6.858 0.227 -8.286 1.00 0.00 N ATOM 558 CA SER A 39 6.116 1.172 -9.113 1.00 0.00 C ATOM 559 C SER A 39 5.503 2.276 -8.259 1.00 0.00 C ATOM 560 O SER A 39 5.353 3.412 -8.710 1.00 0.00 O ATOM 561 CB SER A 39 5.018 0.445 -9.893 1.00 0.00 C ATOM 562 OG SER A 39 4.951 0.910 -11.230 1.00 0.00 O ATOM 0 H SER A 39 6.544 -0.740 -8.365 1.00 0.00 H new ATOM 0 HA SER A 39 6.813 1.627 -9.817 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.212 -0.628 -9.887 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.057 0.598 -9.403 1.00 0.00 H new ATOM 0 HG SER A 39 4.243 0.429 -11.708 1.00 0.00 H new ATOM 568 N ILE A 40 5.150 1.935 -7.025 1.00 0.00 N ATOM 569 CA ILE A 40 4.554 2.898 -6.106 1.00 0.00 C ATOM 570 C ILE A 40 5.577 3.937 -5.660 1.00 0.00 C ATOM 571 O ILE A 40 5.366 5.139 -5.822 1.00 0.00 O ATOM 572 CB ILE A 40 3.969 2.203 -4.864 1.00 0.00 C ATOM 573 CG1 ILE A 40 3.028 1.070 -5.281 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.238 3.209 -3.989 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.714 0.102 -4.163 1.00 0.00 C ATOM 0 H ILE A 40 5.266 0.999 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 40 3.748 3.394 -6.647 1.00 0.00 H new ATOM 0 HB ILE A 40 4.789 1.776 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.097 1.500 -5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.477 0.522 -6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.830 2.702 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.933 3.984 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.426 3.663 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.042 -0.674 -4.531 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.637 -0.356 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.236 0.637 -3.342 1.00 0.00 H new ATOM 587 N CYS A 41 6.685 3.465 -5.100 1.00 0.00 N ATOM 588 CA CYS A 41 7.742 4.354 -4.629 1.00 0.00 C ATOM 589 C CYS A 41 8.121 5.365 -5.707 1.00 0.00 C ATOM 590 O CYS A 41 8.414 6.523 -5.411 1.00 0.00 O ATOM 591 CB CYS A 41 8.972 3.544 -4.218 1.00 0.00 C ATOM 592 SG CYS A 41 10.507 4.498 -4.184 1.00 0.00 S ATOM 0 H CYS A 41 6.875 2.473 -4.961 1.00 0.00 H new ATOM 0 HA CYS A 41 7.367 4.897 -3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.800 3.118 -3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.091 2.709 -4.908 1.00 0.00 H new ATOM 0 HG CYS A 41 11.489 3.727 -3.823 1.00 0.00 H new ATOM 598 N LYS A 42 8.116 4.918 -6.958 1.00 0.00 N ATOM 599 CA LYS A 42 8.459 5.782 -8.081 1.00 0.00 C ATOM 600 C LYS A 42 7.254 6.606 -8.523 1.00 0.00 C ATOM 601 O LYS A 42 7.403 7.654 -9.149 1.00 0.00 O ATOM 602 CB LYS A 42 8.976 4.947 -9.255 1.00 0.00 C ATOM 603 CG LYS A 42 7.872 4.317 -10.086 1.00 0.00 C ATOM 604 CD LYS A 42 8.406 3.770 -11.399 1.00 0.00 C ATOM 605 CE LYS A 42 9.462 2.700 -11.169 1.00 0.00 C ATOM 606 NZ LYS A 42 9.699 1.882 -12.391 1.00 0.00 N ATOM 0 H LYS A 42 7.878 3.961 -7.220 1.00 0.00 H new ATOM 0 HA LYS A 42 9.244 6.464 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.588 5.580 -9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.625 4.160 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.403 3.513 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.099 5.058 -10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.585 3.353 -11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.832 4.583 -11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.395 3.171 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.148 2.050 -10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.425 1.164 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.815 1.412 -12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.023 2.498 -13.164 1.00 0.00 H new ATOM 620 N ALA A 43 6.060 6.125 -8.189 1.00 0.00 N ATOM 621 CA ALA A 43 4.830 6.820 -8.548 1.00 0.00 C ATOM 622 C ALA A 43 4.525 7.943 -7.562 1.00 0.00 C ATOM 623 O ALA A 43 3.874 8.927 -7.909 1.00 0.00 O ATOM 624 CB ALA A 43 3.668 5.839 -8.608 1.00 0.00 C ATOM 0 H ALA A 43 5.919 5.258 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 43 4.968 7.265 -9.533 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.756 6.372 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.876 5.074 -9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.539 5.368 -7.634 1.00 0.00 H new ATOM 630 N SER A 44 4.999 7.786 -6.330 1.00 0.00 N ATOM 631 CA SER A 44 4.773 8.785 -5.291 1.00 0.00 C ATOM 632 C SER A 44 6.064 9.534 -4.968 1.00 0.00 C ATOM 633 O SER A 44 6.046 10.732 -4.691 1.00 0.00 O ATOM 634 CB SER A 44 4.224 8.122 -4.027 1.00 0.00 C ATOM 635 OG SER A 44 4.823 6.856 -3.814 1.00 0.00 O ATOM 0 H SER A 44 5.542 6.977 -6.027 1.00 0.00 H new ATOM 0 HA SER A 44 4.041 9.502 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.409 8.765 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.144 8.007 -4.113 1.00 0.00 H new ATOM 0 HG SER A 44 4.592 6.256 -4.554 1.00 0.00 H new ATOM 641 N GLY A 45 7.182 8.816 -5.006 1.00 0.00 N ATOM 642 CA GLY A 45 8.466 9.428 -4.715 1.00 0.00 C ATOM 643 C GLY A 45 8.951 9.117 -3.314 1.00 0.00 C ATOM 644 O GLY A 45 10.091 9.420 -2.962 1.00 0.00 O ATOM 0 H GLY A 45 7.222 7.822 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.204 9.079 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.386 10.508 -4.837 1.00 0.00 H new ATOM 648 N ALA A 46 8.083 8.512 -2.508 1.00 0.00 N ATOM 649 CA ALA A 46 8.429 8.161 -1.137 1.00 0.00 C ATOM 650 C ALA A 46 8.852 6.699 -1.036 1.00 0.00 C ATOM 651 O ALA A 46 8.355 5.845 -1.769 1.00 0.00 O ATOM 652 CB ALA A 46 7.257 8.439 -0.208 1.00 0.00 C ATOM 0 H ALA A 46 7.135 8.255 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 46 9.273 8.779 -0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.530 8.172 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.003 9.498 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.397 7.847 -0.520 1.00 0.00 H new ATOM 658 N LYS A 47 9.774 6.416 -0.121 1.00 0.00 N ATOM 659 CA LYS A 47 10.264 5.057 0.078 1.00 0.00 C ATOM 660 C LYS A 47 9.256 4.226 0.864 1.00 0.00 C ATOM 661 O LYS A 47 8.774 4.648 1.915 1.00 0.00 O ATOM 662 CB LYS A 47 11.606 5.080 0.813 1.00 0.00 C ATOM 663 CG LYS A 47 12.654 4.171 0.195 1.00 0.00 C ATOM 664 CD LYS A 47 12.327 2.705 0.427 1.00 0.00 C ATOM 665 CE LYS A 47 13.375 1.796 -0.196 1.00 0.00 C ATOM 666 NZ LYS A 47 12.924 0.377 -0.238 1.00 0.00 N ATOM 0 H LYS A 47 10.197 7.111 0.495 1.00 0.00 H new ATOM 0 HA LYS A 47 10.401 4.599 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.986 6.102 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.448 4.785 1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.720 4.365 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.631 4.399 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.264 2.510 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.349 2.478 0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.596 2.137 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.302 1.866 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.666 -0.210 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.737 0.043 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.054 0.306 -0.803 1.00 0.00 H new ATOM 680 N ILE A 48 8.943 3.042 0.348 1.00 0.00 N ATOM 681 CA ILE A 48 7.994 2.150 1.003 1.00 0.00 C ATOM 682 C ILE A 48 8.586 0.756 1.185 1.00 0.00 C ATOM 683 O ILE A 48 8.931 0.084 0.214 1.00 0.00 O ATOM 684 CB ILE A 48 6.683 2.039 0.204 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.183 3.429 -0.194 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.628 1.304 1.018 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.219 3.679 -1.686 1.00 0.00 C ATOM 0 H ILE A 48 9.333 2.678 -0.522 1.00 0.00 H new ATOM 0 HA ILE A 48 7.778 2.581 1.981 1.00 0.00 H new ATOM 0 HB ILE A 48 6.876 1.469 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.161 3.555 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.791 4.182 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.707 1.233 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.985 0.302 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.436 1.850 1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.851 4.683 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.244 3.586 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.589 2.948 -2.193 1.00 0.00 H new ATOM 699 N THR A 49 8.699 0.328 2.438 1.00 0.00 N ATOM 700 CA THR A 49 9.249 -0.987 2.750 1.00 0.00 C ATOM 701 C THR A 49 8.347 -1.744 3.718 1.00 0.00 C ATOM 702 O THR A 49 7.634 -1.138 4.519 1.00 0.00 O ATOM 703 CB THR A 49 10.659 -0.877 3.359 1.00 0.00 C ATOM 704 OG1 THR A 49 11.373 -2.103 3.166 1.00 0.00 O ATOM 705 CG2 THR A 49 10.584 -0.556 4.844 1.00 0.00 C ATOM 0 H THR A 49 8.417 0.872 3.254 1.00 0.00 H new ATOM 0 HA THR A 49 9.310 -1.535 1.810 1.00 0.00 H new ATOM 0 HB THR A 49 11.186 -0.067 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.269 -2.024 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.592 -0.483 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.066 0.393 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.040 -1.347 5.360 1.00 0.00 H new ATOM 713 N CYS A 50 8.384 -3.069 3.640 1.00 0.00 N ATOM 714 CA CYS A 50 7.570 -3.909 4.511 1.00 0.00 C ATOM 715 C CYS A 50 8.376 -4.388 5.714 1.00 0.00 C ATOM 716 O CYS A 50 9.574 -4.650 5.607 1.00 0.00 O ATOM 717 CB CYS A 50 7.029 -5.111 3.734 1.00 0.00 C ATOM 718 SG CYS A 50 8.292 -6.312 3.256 1.00 0.00 S ATOM 0 H CYS A 50 8.969 -3.585 2.983 1.00 0.00 H new ATOM 0 HA CYS A 50 6.733 -3.311 4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.277 -5.614 4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.526 -4.753 2.836 1.00 0.00 H new ATOM 0 HG CYS A 50 9.347 -6.151 3.999 1.00 0.00 H new ATOM 858 N LEU A 60 0.643 -13.336 10.647 1.00 0.00 N ATOM 859 CA LEU A 60 -0.718 -12.819 10.579 1.00 0.00 C ATOM 860 C LEU A 60 -0.817 -11.674 9.575 1.00 0.00 C ATOM 861 O LEU A 60 -1.233 -11.873 8.433 1.00 0.00 O ATOM 862 CB LEU A 60 -1.173 -12.341 11.959 1.00 0.00 C ATOM 863 CG LEU A 60 -0.062 -11.943 12.931 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.486 -10.742 13.763 1.00 0.00 C ATOM 865 CD2 LEU A 60 0.306 -13.114 13.830 1.00 0.00 C ATOM 0 HA LEU A 60 -1.370 -13.627 10.247 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.835 -11.485 11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.764 -13.133 12.419 1.00 0.00 H new ATOM 0 HG LEU A 60 0.819 -11.666 12.352 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.317 -10.473 14.449 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.698 -9.900 13.104 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.381 -10.992 14.332 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.098 -12.812 14.515 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.569 -13.423 14.401 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.653 -13.947 13.219 1.00 0.00 H new ATOM 877 N SER A 61 -0.431 -10.480 10.007 1.00 0.00 N ATOM 878 CA SER A 61 -0.477 -9.304 9.146 1.00 0.00 C ATOM 879 C SER A 61 0.914 -8.699 8.976 1.00 0.00 C ATOM 880 O SER A 61 1.772 -8.833 9.849 1.00 0.00 O ATOM 881 CB SER A 61 -1.431 -8.257 9.726 1.00 0.00 C ATOM 882 OG SER A 61 -1.138 -8.000 11.089 1.00 0.00 O ATOM 0 H SER A 61 -0.082 -10.300 10.949 1.00 0.00 H new ATOM 0 HA SER A 61 -0.841 -9.616 8.167 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.353 -7.333 9.153 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.460 -8.605 9.631 1.00 0.00 H new ATOM 0 HG SER A 61 -1.760 -7.327 11.436 1.00 0.00 H new ATOM 888 N ARG A 62 1.129 -8.036 7.844 1.00 0.00 N ATOM 889 CA ARG A 62 2.416 -7.413 7.558 1.00 0.00 C ATOM 890 C ARG A 62 2.378 -5.919 7.872 1.00 0.00 C ATOM 891 O ARG A 62 1.314 -5.354 8.128 1.00 0.00 O ATOM 892 CB ARG A 62 2.795 -7.627 6.092 1.00 0.00 C ATOM 893 CG ARG A 62 3.887 -8.665 5.890 1.00 0.00 C ATOM 894 CD ARG A 62 5.173 -8.028 5.389 1.00 0.00 C ATOM 895 NE ARG A 62 5.399 -8.294 3.970 1.00 0.00 N ATOM 896 CZ ARG A 62 5.623 -9.506 3.476 1.00 0.00 C ATOM 897 NH1 ARG A 62 5.652 -10.559 4.281 1.00 0.00 N ATOM 898 NH2 ARG A 62 5.820 -9.666 2.174 1.00 0.00 N ATOM 0 H ARG A 62 0.430 -7.917 7.111 1.00 0.00 H new ATOM 0 HA ARG A 62 3.168 -7.882 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.908 -7.933 5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.125 -6.678 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.078 -9.182 6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.549 -9.416 5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.132 -6.951 5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.015 -8.408 5.968 1.00 0.00 H new ATOM 0 HE ARG A 62 5.384 -7.505 3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.502 -10.439 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.824 -11.489 3.899 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.799 -8.858 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.992 -10.597 1.795 1.00 0.00 H new ATOM 912 N LEU A 63 3.546 -5.287 7.851 1.00 0.00 N ATOM 913 CA LEU A 63 3.648 -3.859 8.134 1.00 0.00 C ATOM 914 C LEU A 63 4.370 -3.130 7.005 1.00 0.00 C ATOM 915 O LEU A 63 5.154 -3.730 6.268 1.00 0.00 O ATOM 916 CB LEU A 63 4.383 -3.632 9.456 1.00 0.00 C ATOM 917 CG LEU A 63 3.834 -2.518 10.347 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.487 -2.561 11.719 1.00 0.00 C ATOM 919 CD2 LEU A 63 4.047 -1.160 9.696 1.00 0.00 C ATOM 0 H LEU A 63 4.435 -5.740 7.641 1.00 0.00 H new ATOM 0 HA LEU A 63 2.638 -3.457 8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.367 -4.563 10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.427 -3.411 9.235 1.00 0.00 H new ATOM 0 HG LEU A 63 2.763 -2.675 10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.084 -1.761 12.339 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.282 -3.523 12.189 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.564 -2.431 11.614 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.650 -0.379 10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.113 -0.995 9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.531 -1.132 8.736 1.00 0.00 H new ATOM 931 N ILE A 64 4.102 -1.835 6.876 1.00 0.00 N ATOM 932 CA ILE A 64 4.728 -1.025 5.840 1.00 0.00 C ATOM 933 C ILE A 64 5.291 0.269 6.419 1.00 0.00 C ATOM 934 O ILE A 64 4.778 0.794 7.407 1.00 0.00 O ATOM 935 CB ILE A 64 3.734 -0.682 4.716 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.250 -1.959 4.025 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.378 0.259 3.708 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.175 -2.443 2.931 1.00 0.00 C ATOM 0 H ILE A 64 3.455 -1.325 7.477 1.00 0.00 H new ATOM 0 HA ILE A 64 5.542 -1.619 5.424 1.00 0.00 H new ATOM 0 HB ILE A 64 2.872 -0.179 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.140 -2.746 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.262 -1.781 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.663 0.492 2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.678 1.179 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.255 -0.220 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.769 -3.351 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.266 -1.673 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.158 -2.654 3.352 1.00 0.00 H new ATOM 950 N LYS A 65 6.346 0.781 5.794 1.00 0.00 N ATOM 951 CA LYS A 65 6.977 2.016 6.244 1.00 0.00 C ATOM 952 C LYS A 65 7.138 2.997 5.087 1.00 0.00 C ATOM 953 O LYS A 65 7.915 2.759 4.162 1.00 0.00 O ATOM 954 CB LYS A 65 8.342 1.718 6.867 1.00 0.00 C ATOM 955 CG LYS A 65 8.345 1.780 8.385 1.00 0.00 C ATOM 956 CD LYS A 65 9.716 1.457 8.954 1.00 0.00 C ATOM 957 CE LYS A 65 9.634 0.388 10.033 1.00 0.00 C ATOM 958 NZ LYS A 65 10.933 0.212 10.740 1.00 0.00 N ATOM 0 H LYS A 65 6.782 0.359 4.974 1.00 0.00 H new ATOM 0 HA LYS A 65 6.333 2.471 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.667 0.727 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.071 2.430 6.481 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.041 2.775 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.611 1.077 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.373 1.117 8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.161 2.361 9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.862 0.658 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.334 -0.559 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.835 -0.525 11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.665 -0.070 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.207 1.108 11.190 1.00 0.00 H new ATOM 972 N ILE A 66 6.400 4.101 5.146 1.00 0.00 N ATOM 973 CA ILE A 66 6.463 5.118 4.105 1.00 0.00 C ATOM 974 C ILE A 66 7.284 6.320 4.560 1.00 0.00 C ATOM 975 O ILE A 66 6.996 6.927 5.591 1.00 0.00 O ATOM 976 CB ILE A 66 5.057 5.596 3.697 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.181 4.402 3.312 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.147 6.587 2.546 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.854 4.367 4.037 1.00 0.00 C ATOM 0 H ILE A 66 5.752 4.313 5.904 1.00 0.00 H new ATOM 0 HA ILE A 66 6.945 4.657 3.243 1.00 0.00 H new ATOM 0 HB ILE A 66 4.599 6.099 4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.998 4.427 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.724 3.481 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.145 6.915 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.739 7.449 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.621 6.108 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.286 3.494 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.028 4.310 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.290 5.271 3.808 1.00 0.00 H new ATOM 991 N SER A 67 8.308 6.660 3.782 1.00 0.00 N ATOM 992 CA SER A 67 9.172 7.789 4.106 1.00 0.00 C ATOM 993 C SER A 67 9.318 8.722 2.908 1.00 0.00 C ATOM 994 O SER A 67 9.263 8.288 1.758 1.00 0.00 O ATOM 995 CB SER A 67 10.548 7.294 4.552 1.00 0.00 C ATOM 996 OG SER A 67 11.064 6.334 3.645 1.00 0.00 O ATOM 0 H SER A 67 8.559 6.170 2.924 1.00 0.00 H new ATOM 0 HA SER A 67 8.712 8.344 4.923 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.235 8.137 4.624 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.475 6.856 5.547 1.00 0.00 H new ATOM 0 HG SER A 67 11.945 6.034 3.952 1.00 0.00 H new ATOM 1002 N GLY A 68 9.505 10.008 3.188 1.00 0.00 N ATOM 1003 CA GLY A 68 9.657 10.985 2.123 1.00 0.00 C ATOM 1004 C GLY A 68 9.060 12.331 2.482 1.00 0.00 C ATOM 1005 O GLY A 68 8.778 12.603 3.649 1.00 0.00 O ATOM 0 H GLY A 68 9.554 10.392 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.716 11.109 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.180 10.609 1.218 1.00 0.00 H new ATOM 1009 N THR A 69 8.869 13.179 1.476 1.00 0.00 N ATOM 1010 CA THR A 69 8.305 14.505 1.691 1.00 0.00 C ATOM 1011 C THR A 69 6.808 14.428 1.974 1.00 0.00 C ATOM 1012 O THR A 69 6.135 13.489 1.548 1.00 0.00 O ATOM 1013 CB THR A 69 8.538 15.419 0.473 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.870 14.885 -0.675 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.025 15.562 0.182 1.00 0.00 C ATOM 0 H THR A 69 9.097 12.970 0.504 1.00 0.00 H new ATOM 0 HA THR A 69 8.815 14.928 2.557 1.00 0.00 H new ATOM 0 HB THR A 69 8.132 16.404 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.022 15.473 -1.445 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.166 16.212 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.525 15.996 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.451 14.581 -0.029 1.00 0.00 H new ATOM 1023 N GLN A 70 6.295 15.419 2.694 1.00 0.00 N ATOM 1024 CA GLN A 70 4.878 15.461 3.034 1.00 0.00 C ATOM 1025 C GLN A 70 4.015 15.255 1.793 1.00 0.00 C ATOM 1026 O GLN A 70 2.838 14.907 1.893 1.00 0.00 O ATOM 1027 CB GLN A 70 4.529 16.795 3.696 1.00 0.00 C ATOM 1028 CG GLN A 70 3.135 16.830 4.299 1.00 0.00 C ATOM 1029 CD GLN A 70 3.091 16.260 5.702 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.507 16.910 6.663 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.586 15.039 5.831 1.00 0.00 N ATOM 0 H GLN A 70 6.839 16.204 3.053 1.00 0.00 H new ATOM 0 HA GLN A 70 4.674 14.652 3.735 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.259 17.005 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.616 17.591 2.957 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.777 17.860 4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.453 16.268 3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.253 14.536 5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.531 14.604 6.752 1.00 0.00 H new ATOM 1040 N LYS A 71 4.607 15.473 0.624 1.00 0.00 N ATOM 1041 CA LYS A 71 3.894 15.310 -0.638 1.00 0.00 C ATOM 1042 C LYS A 71 3.843 13.842 -1.048 1.00 0.00 C ATOM 1043 O LYS A 71 2.860 13.387 -1.634 1.00 0.00 O ATOM 1044 CB LYS A 71 4.567 16.135 -1.737 1.00 0.00 C ATOM 1045 CG LYS A 71 4.260 17.620 -1.657 1.00 0.00 C ATOM 1046 CD LYS A 71 2.764 17.878 -1.606 1.00 0.00 C ATOM 1047 CE LYS A 71 2.432 19.313 -1.986 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.213 19.395 -2.836 1.00 0.00 N ATOM 0 H LYS A 71 5.580 15.763 0.524 1.00 0.00 H new ATOM 0 HA LYS A 71 2.873 15.665 -0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.646 15.992 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.248 15.759 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.733 18.043 -0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.689 18.128 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.253 17.194 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.392 17.671 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.284 19.903 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.276 19.752 -2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.021 20.389 -3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.363 18.853 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.402 19.000 -2.319 1.00 0.00 H new ATOM 1062 N GLU A 72 4.904 13.106 -0.735 1.00 0.00 N ATOM 1063 CA GLU A 72 4.978 11.690 -1.071 1.00 0.00 C ATOM 1064 C GLU A 72 4.319 10.838 0.011 1.00 0.00 C ATOM 1065 O GLU A 72 3.275 10.227 -0.214 1.00 0.00 O ATOM 1066 CB GLU A 72 6.435 11.261 -1.256 1.00 0.00 C ATOM 1067 CG GLU A 72 7.247 12.220 -2.111 1.00 0.00 C ATOM 1068 CD GLU A 72 8.739 12.100 -1.863 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.130 11.371 -0.929 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.515 12.736 -2.606 1.00 0.00 O ATOM 0 H GLU A 72 5.725 13.467 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 72 4.441 11.538 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.906 11.172 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.459 10.271 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.040 12.027 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.929 13.242 -1.906 1.00 0.00 H new ATOM 1077 N VAL A 73 4.938 10.804 1.187 1.00 0.00 N ATOM 1078 CA VAL A 73 4.414 10.029 2.305 1.00 0.00 C ATOM 1079 C VAL A 73 2.891 10.079 2.341 1.00 0.00 C ATOM 1080 O VAL A 73 2.238 9.130 2.774 1.00 0.00 O ATOM 1081 CB VAL A 73 4.965 10.539 3.649 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.358 9.760 4.806 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.483 10.447 3.672 1.00 0.00 C ATOM 0 H VAL A 73 5.803 11.304 1.390 1.00 0.00 H new ATOM 0 HA VAL A 73 4.738 8.999 2.156 1.00 0.00 H new ATOM 0 HB VAL A 73 4.686 11.587 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.760 10.135 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.275 9.883 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.604 8.703 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.855 10.812 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.787 9.409 3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.897 11.054 2.867 1.00 0.00 H new ATOM 1093 N ALA A 74 2.329 11.194 1.883 1.00 0.00 N ATOM 1094 CA ALA A 74 0.883 11.368 1.861 1.00 0.00 C ATOM 1095 C ALA A 74 0.277 10.765 0.598 1.00 0.00 C ATOM 1096 O ALA A 74 -0.782 10.139 0.644 1.00 0.00 O ATOM 1097 CB ALA A 74 0.526 12.843 1.967 1.00 0.00 C ATOM 0 H ALA A 74 2.855 11.990 1.522 1.00 0.00 H new ATOM 0 HA ALA A 74 0.466 10.842 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.558 12.957 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.918 13.246 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.962 13.384 1.127 1.00 0.00 H new ATOM 1103 N ALA A 75 0.955 10.956 -0.528 1.00 0.00 N ATOM 1104 CA ALA A 75 0.484 10.430 -1.803 1.00 0.00 C ATOM 1105 C ALA A 75 0.662 8.917 -1.872 1.00 0.00 C ATOM 1106 O ALA A 75 -0.292 8.181 -2.122 1.00 0.00 O ATOM 1107 CB ALA A 75 1.217 11.101 -2.955 1.00 0.00 C ATOM 0 H ALA A 75 1.833 11.472 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.580 10.650 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.855 10.698 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.036 12.175 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.287 10.911 -2.866 1.00 0.00 H new ATOM 1113 N ALA A 76 1.890 8.459 -1.649 1.00 0.00 N ATOM 1114 CA ALA A 76 2.191 7.033 -1.684 1.00 0.00 C ATOM 1115 C ALA A 76 1.187 6.239 -0.858 1.00 0.00 C ATOM 1116 O ALA A 76 0.737 5.169 -1.270 1.00 0.00 O ATOM 1117 CB ALA A 76 3.606 6.781 -1.184 1.00 0.00 C ATOM 0 H ALA A 76 2.692 9.055 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 76 2.117 6.696 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.818 5.712 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.316 7.311 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.699 7.139 -0.159 1.00 0.00 H new ATOM 1123 N LYS A 77 0.838 6.768 0.310 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.115 6.108 1.194 1.00 0.00 C ATOM 1125 C LYS A 77 -1.402 5.768 0.451 1.00 0.00 C ATOM 1126 O LYS A 77 -2.043 4.753 0.730 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.429 7.002 2.396 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.767 6.228 3.658 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.409 7.122 4.707 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.393 7.587 5.739 1.00 0.00 C ATOM 1131 NZ LYS A 77 -0.140 9.052 5.648 1.00 0.00 N ATOM 0 H LYS A 77 1.201 7.652 0.666 1.00 0.00 H new ATOM 0 HA LYS A 77 0.336 5.180 1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.428 7.646 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.266 7.654 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.444 5.409 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.140 5.781 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.860 7.988 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.214 6.581 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.752 7.342 6.738 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.543 7.047 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.558 9.329 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.227 9.283 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.028 9.568 5.810 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.776 6.620 -0.498 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.987 6.408 -1.284 1.00 0.00 C ATOM 1147 C HIS A 78 -2.758 5.346 -2.355 1.00 0.00 C ATOM 1148 O HIS A 78 -3.668 4.588 -2.696 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.434 7.718 -1.935 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.835 7.675 -2.461 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.892 8.309 -1.842 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.350 7.073 -3.559 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.996 8.096 -2.534 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.695 7.349 -3.581 1.00 0.00 N ATOM 0 H HIS A 78 -1.258 7.464 -0.742 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.771 6.059 -0.612 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.353 8.524 -1.205 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.754 7.959 -2.753 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.805 6.485 -4.283 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.979 8.469 -2.286 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.354 7.029 -4.290 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.541 5.296 -2.883 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.194 4.327 -3.918 1.00 0.00 C ATOM 1164 C LEU A 79 -1.035 2.931 -3.324 1.00 0.00 C ATOM 1165 O LEU A 79 -1.172 1.928 -4.025 1.00 0.00 O ATOM 1166 CB LEU A 79 0.098 4.745 -4.622 1.00 0.00 C ATOM 1167 CG LEU A 79 0.104 6.144 -5.239 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.481 6.477 -5.792 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.952 6.249 -6.331 1.00 0.00 C ATOM 0 H LEU A 79 -0.777 5.915 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.005 4.302 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.916 4.683 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.309 4.022 -5.409 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.136 6.866 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.466 7.476 -6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.215 6.443 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.750 5.751 -6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.934 7.251 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.743 5.517 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.936 6.054 -5.905 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.746 2.874 -2.028 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.573 1.601 -1.340 1.00 0.00 C ATOM 1183 C ILE A 80 -1.918 0.940 -1.059 1.00 0.00 C ATOM 1184 O ILE A 80 -2.091 -0.259 -1.282 1.00 0.00 O ATOM 1185 CB ILE A 80 0.187 1.778 -0.012 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.551 2.425 -0.262 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.351 0.437 0.687 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.056 3.243 0.906 1.00 0.00 C ATOM 0 H ILE A 80 -0.627 3.694 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 80 0.012 0.962 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.392 2.435 0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.278 1.645 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.484 3.065 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.890 0.579 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.631 0.012 0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.912 -0.242 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.027 3.671 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.350 4.045 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.155 2.603 1.783 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.868 1.729 -0.568 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.199 1.222 -0.258 1.00 0.00 C ATOM 1202 C LEU A 81 -4.929 0.793 -1.527 1.00 0.00 C ATOM 1203 O LEU A 81 -5.679 -0.183 -1.524 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.015 2.287 0.477 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.057 2.166 2.001 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.009 3.542 2.647 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -6.303 1.412 2.441 1.00 0.00 C ATOM 0 H LEU A 81 -2.740 2.723 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.086 0.350 0.387 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.611 3.267 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.038 2.256 0.102 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.182 1.604 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.040 3.436 3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.088 4.048 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.865 4.130 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.317 1.335 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.190 1.948 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.296 0.412 2.007 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.700 1.527 -2.611 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.335 1.222 -3.889 1.00 0.00 C ATOM 1221 C GLU A 82 -5.265 -0.273 -4.186 1.00 0.00 C ATOM 1222 O GLU A 82 -6.139 -0.827 -4.855 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.665 2.009 -5.017 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.056 3.477 -5.049 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.682 3.885 -6.369 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -6.186 2.996 -7.087 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -5.667 5.093 -6.685 1.00 0.00 O ATOM 0 H GLU A 82 -4.080 2.337 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.383 1.514 -3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.583 1.932 -4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.924 1.552 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.758 3.680 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.173 4.089 -4.866 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.220 -0.922 -3.686 1.00 0.00 N ATOM 1235 CA LYS A 83 -4.034 -2.354 -3.896 1.00 0.00 C ATOM 1236 C LYS A 83 -4.842 -3.161 -2.883 1.00 0.00 C ATOM 1237 O LYS A 83 -5.467 -4.163 -3.231 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.552 -2.718 -3.788 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.772 -2.474 -5.068 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.675 -0.991 -5.388 1.00 0.00 C ATOM 1241 CE LYS A 83 -0.931 -0.749 -6.693 1.00 0.00 C ATOM 1242 NZ LYS A 83 -1.842 -0.802 -7.869 1.00 0.00 N ATOM 0 H LYS A 83 -3.487 -0.479 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.390 -2.599 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.102 -2.139 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.464 -3.769 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.770 -2.892 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.255 -2.995 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.677 -0.566 -5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.163 -0.475 -4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.441 0.224 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.146 -1.497 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.297 -0.632 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.290 -1.739 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.576 -0.072 -7.773 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.824 -2.718 -1.630 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.556 -3.398 -0.569 1.00 0.00 C ATOM 1258 C VAL A 84 -7.023 -3.577 -0.941 1.00 0.00 C ATOM 1259 O VAL A 84 -7.633 -4.600 -0.627 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.466 -2.625 0.760 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.247 -3.342 1.850 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -4.013 -2.437 1.169 1.00 0.00 C ATOM 0 H VAL A 84 -4.310 -1.891 -1.325 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.094 -4.377 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.910 -1.640 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -6.171 -2.780 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.294 -3.419 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.836 -4.341 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.968 -1.889 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.541 -3.412 1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.487 -1.876 0.397 1.00 0.00 H new ATOM 1272 N SER A 85 -7.585 -2.578 -1.614 1.00 0.00 N ATOM 1273 CA SER A 85 -8.982 -2.624 -2.026 1.00 0.00 C ATOM 1274 C SER A 85 -9.177 -3.604 -3.180 1.00 0.00 C ATOM 1275 O SER A 85 -10.211 -4.263 -3.279 1.00 0.00 O ATOM 1276 CB SER A 85 -9.460 -1.231 -2.441 1.00 0.00 C ATOM 1277 OG SER A 85 -10.528 -1.312 -3.369 1.00 0.00 O ATOM 0 H SER A 85 -7.093 -1.727 -1.885 1.00 0.00 H new ATOM 0 HA SER A 85 -9.573 -2.966 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.782 -0.676 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.632 -0.676 -2.882 1.00 0.00 H new ATOM 0 HG SER A 85 -10.816 -0.408 -3.617 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.174 -3.693 -4.048 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.234 -4.592 -5.194 1.00 0.00 C ATOM 1285 C GLU A 86 -8.426 -6.037 -4.743 1.00 0.00 C ATOM 1286 O GLU A 86 -9.429 -6.673 -5.071 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.959 -4.473 -6.031 1.00 0.00 C ATOM 1288 CG GLU A 86 -6.980 -3.312 -7.011 1.00 0.00 C ATOM 1289 CD GLU A 86 -5.675 -3.165 -7.770 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -5.096 -4.201 -8.157 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.234 -2.016 -7.977 1.00 0.00 O ATOM 0 H GLU A 86 -7.311 -3.154 -3.979 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.089 -4.303 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.105 -4.358 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.809 -5.401 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.795 -3.455 -7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.187 -2.389 -6.470 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.459 -6.549 -3.989 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.522 -7.919 -3.492 1.00 0.00 C ATOM 1300 C ASP A 87 -8.721 -8.107 -2.568 1.00 0.00 C ATOM 1301 O ASP A 87 -9.472 -9.072 -2.702 1.00 0.00 O ATOM 1302 CB ASP A 87 -6.231 -8.274 -2.752 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.993 -9.770 -2.690 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.817 -10.476 -2.072 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.983 -10.235 -3.259 1.00 0.00 O ATOM 0 H ASP A 87 -6.623 -6.036 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.637 -8.585 -4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.387 -7.795 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.274 -7.873 -1.739 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.892 -7.180 -1.632 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.999 -7.246 -0.685 1.00 0.00 C ATOM 1312 C GLU A 88 -11.291 -7.654 -1.386 1.00 0.00 C ATOM 1313 O GLU A 88 -12.055 -8.472 -0.875 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.187 -5.895 0.010 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.486 -5.788 0.790 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.409 -6.462 2.146 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.759 -5.899 3.052 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -11.999 -7.552 2.303 1.00 0.00 O ATOM 0 H GLU A 88 -8.279 -6.374 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.758 -8.001 0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.351 -5.725 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.156 -5.103 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.739 -4.736 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.292 -6.238 0.210 1.00 0.00 H new