USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 Set 1.1: A 67 THR OG1 : rot -84:sc= -1.46 USER MOD Set 1.2: A 70 SER OG : rot 84:sc= 0.98 USER MOD Single : A 15 MET CE :methyl -120:sc= -2.1 (180deg=-4.95!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 37:sc= -0.876 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 152:sc= -3.09! (180deg=-4.28!) USER MOD Single : A 36 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0556 X(o=-0.056,f=-0.053) USER MOD Single : A 42 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.3!) USER MOD Single : A 44 SER OG : rot -65:sc= -3.96! USER MOD Single : A 46 CYS SG : rot -34:sc= 0.295 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.6!) USER MOD Single : A 61 SER OG : rot 135:sc= 0.00991 USER MOD Single : A 62 CYS SG : rot 180:sc= -5.35! USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.453 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 73 SER OG : rot 100:sc= 0.951 USER MOD Single : A 75 LYS NZ :NH3+ -144:sc= -2.54! (180deg=-4.93!) USER MOD Single : A 80 GLN : amide:sc= -0.0309 X(o=-0.031,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.534 -9.105 8.257 1.00 0.00 N ATOM 186 CA MET A 15 8.318 -7.898 8.457 1.00 0.00 C ATOM 187 C MET A 15 7.495 -6.649 8.131 1.00 0.00 C ATOM 188 O MET A 15 6.454 -6.740 7.483 1.00 0.00 O ATOM 189 CB MET A 15 9.558 -7.940 7.562 1.00 0.00 C ATOM 190 CG MET A 15 9.170 -8.151 6.097 1.00 0.00 C ATOM 191 SD MET A 15 10.323 -7.301 5.032 1.00 0.00 S ATOM 192 CE MET A 15 9.438 -5.773 4.772 1.00 0.00 C ATOM 0 HA MET A 15 8.616 -7.851 9.504 1.00 0.00 H new ATOM 0 HB2 MET A 15 10.116 -7.009 7.664 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.218 -8.744 7.887 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.164 -9.216 5.864 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.160 -7.780 5.923 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.241 -5.643 3.708 1.00 0.00 H new ATOM 0 HE2 MET A 15 8.493 -5.803 5.315 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.039 -4.939 5.134 1.00 0.00 H new ATOM 202 N THR A 16 7.993 -5.513 8.597 1.00 0.00 N ATOM 203 CA THR A 16 7.318 -4.248 8.363 1.00 0.00 C ATOM 204 C THR A 16 8.189 -3.328 7.507 1.00 0.00 C ATOM 205 O THR A 16 9.391 -3.209 7.742 1.00 0.00 O ATOM 206 CB THR A 16 6.954 -3.649 9.723 1.00 0.00 C ATOM 207 OG1 THR A 16 5.943 -4.517 10.226 1.00 0.00 O ATOM 208 CG2 THR A 16 6.253 -2.294 9.597 1.00 0.00 C ATOM 0 H THR A 16 8.856 -5.442 9.136 1.00 0.00 H new ATOM 0 HA THR A 16 6.398 -4.390 7.797 1.00 0.00 H new ATOM 0 HB THR A 16 7.857 -3.537 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.651 -4.203 11.107 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.016 -1.913 10.590 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.910 -1.591 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.333 -2.412 9.025 1.00 0.00 H new ATOM 216 N GLU A 17 7.550 -2.701 6.530 1.00 0.00 N ATOM 217 CA GLU A 17 8.253 -1.795 5.637 1.00 0.00 C ATOM 218 C GLU A 17 7.564 -0.429 5.617 1.00 0.00 C ATOM 219 O GLU A 17 6.344 -0.343 5.750 1.00 0.00 O ATOM 220 CB GLU A 17 8.349 -2.380 4.227 1.00 0.00 C ATOM 221 CG GLU A 17 9.080 -1.422 3.284 1.00 0.00 C ATOM 222 CD GLU A 17 10.585 -1.426 3.557 1.00 0.00 C ATOM 223 OE1 GLU A 17 10.999 -0.680 4.470 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.289 -2.175 2.845 1.00 0.00 O ATOM 0 H GLU A 17 6.554 -2.802 6.337 1.00 0.00 H new ATOM 0 HA GLU A 17 9.268 -1.663 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.874 -3.334 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.348 -2.580 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.894 -1.711 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.687 -0.413 3.408 1.00 0.00 H new ATOM 231 N GLU A 18 8.375 0.605 5.451 1.00 0.00 N ATOM 232 CA GLU A 18 7.859 1.963 5.412 1.00 0.00 C ATOM 233 C GLU A 18 7.951 2.526 3.992 1.00 0.00 C ATOM 234 O GLU A 18 9.021 2.950 3.558 1.00 0.00 O ATOM 235 CB GLU A 18 8.599 2.859 6.407 1.00 0.00 C ATOM 236 CG GLU A 18 8.038 4.282 6.385 1.00 0.00 C ATOM 237 CD GLU A 18 8.232 4.969 7.738 1.00 0.00 C ATOM 238 OE1 GLU A 18 9.380 4.937 8.232 1.00 0.00 O ATOM 239 OE2 GLU A 18 7.227 5.510 8.249 1.00 0.00 O ATOM 0 H GLU A 18 9.386 0.530 5.342 1.00 0.00 H new ATOM 0 HA GLU A 18 6.809 1.941 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.510 2.445 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.661 2.879 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.534 4.860 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.977 4.255 6.136 1.00 0.00 H new ATOM 246 N TYR A 19 6.817 2.511 3.309 1.00 0.00 N ATOM 247 CA TYR A 19 6.756 3.014 1.947 1.00 0.00 C ATOM 248 C TYR A 19 5.981 4.332 1.884 1.00 0.00 C ATOM 249 O TYR A 19 4.837 4.405 2.331 1.00 0.00 O ATOM 250 CB TYR A 19 6.005 1.955 1.139 1.00 0.00 C ATOM 251 CG TYR A 19 6.171 2.095 -0.376 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.386 1.812 -0.966 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.105 2.504 -1.152 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.542 1.944 -2.392 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.261 2.636 -2.577 1.00 0.00 C ATOM 256 CZ TYR A 19 6.471 2.349 -3.127 1.00 0.00 C ATOM 257 OH TYR A 19 6.619 2.474 -4.473 1.00 0.00 O ATOM 0 H TYR A 19 5.932 2.158 3.673 1.00 0.00 H new ATOM 0 HA TYR A 19 7.758 3.200 1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.352 0.967 1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.944 2.010 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.220 1.492 -0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.154 2.725 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.487 1.726 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.435 2.956 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 19 7.205 1.762 -4.805 1.00 0.00 H new ATOM 267 N LYS A 20 6.635 5.340 1.326 1.00 0.00 N ATOM 268 CA LYS A 20 6.021 6.651 1.198 1.00 0.00 C ATOM 269 C LYS A 20 5.457 6.810 -0.216 1.00 0.00 C ATOM 270 O LYS A 20 6.126 6.481 -1.195 1.00 0.00 O ATOM 271 CB LYS A 20 7.013 7.747 1.592 1.00 0.00 C ATOM 272 CG LYS A 20 7.006 7.975 3.105 1.00 0.00 C ATOM 273 CD LYS A 20 6.952 9.468 3.435 1.00 0.00 C ATOM 274 CE LYS A 20 7.872 9.803 4.610 1.00 0.00 C ATOM 275 NZ LYS A 20 9.144 10.383 4.124 1.00 0.00 N ATOM 0 H LYS A 20 7.584 5.276 0.957 1.00 0.00 H new ATOM 0 HA LYS A 20 5.183 6.749 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.016 7.469 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.758 8.675 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.148 7.470 3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.899 7.533 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.247 10.048 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.928 9.754 3.677 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.376 10.507 5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.074 8.902 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.757 10.605 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.623 9.699 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.947 11.254 3.591 1.00 0.00 H new ATOM 289 N VAL A 21 4.234 7.315 -0.277 1.00 0.00 N ATOM 290 CA VAL A 21 3.573 7.522 -1.555 1.00 0.00 C ATOM 291 C VAL A 21 3.138 8.984 -1.668 1.00 0.00 C ATOM 292 O VAL A 21 3.010 9.677 -0.660 1.00 0.00 O ATOM 293 CB VAL A 21 2.411 6.539 -1.708 1.00 0.00 C ATOM 294 CG1 VAL A 21 2.923 5.116 -1.941 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.481 6.595 -0.494 1.00 0.00 C ATOM 0 H VAL A 21 3.683 7.587 0.537 1.00 0.00 H new ATOM 0 HA VAL A 21 4.260 7.323 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 21 1.835 6.836 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.077 4.437 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.524 5.090 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.533 4.806 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.664 5.887 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.040 6.337 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.075 7.602 -0.392 1.00 0.00 H new ATOM 305 N PRO A 22 2.918 9.421 -2.937 1.00 0.00 N ATOM 306 CA PRO A 22 2.500 10.789 -3.195 1.00 0.00 C ATOM 307 C PRO A 22 1.027 10.990 -2.833 1.00 0.00 C ATOM 308 O PRO A 22 0.148 10.369 -3.428 1.00 0.00 O ATOM 309 CB PRO A 22 2.785 11.015 -4.671 1.00 0.00 C ATOM 310 CG PRO A 22 2.915 9.632 -5.287 1.00 0.00 C ATOM 311 CD PRO A 22 3.060 8.629 -4.155 1.00 0.00 C ATOM 0 HA PRO A 22 3.036 11.515 -2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.980 11.578 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.700 11.591 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.039 9.400 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.780 9.589 -5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.297 7.853 -4.214 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.028 8.128 -4.191 1.00 0.00 H new ATOM 319 N ASP A 23 0.804 11.859 -1.859 1.00 0.00 N ATOM 320 CA ASP A 23 -0.547 12.150 -1.410 1.00 0.00 C ATOM 321 C ASP A 23 -1.403 12.555 -2.612 1.00 0.00 C ATOM 322 O ASP A 23 -2.629 12.474 -2.561 1.00 0.00 O ATOM 323 CB ASP A 23 -0.559 13.308 -0.410 1.00 0.00 C ATOM 324 CG ASP A 23 -1.943 13.881 -0.100 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.739 13.140 0.516 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.174 15.047 -0.487 1.00 0.00 O ATOM 0 H ASP A 23 1.536 12.372 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.942 11.255 -0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.106 12.968 0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.071 14.109 -0.797 1.00 0.00 H new ATOM 331 N GLY A 24 -0.722 12.982 -3.665 1.00 0.00 N ATOM 332 CA GLY A 24 -1.405 13.400 -4.878 1.00 0.00 C ATOM 333 C GLY A 24 -1.842 12.190 -5.706 1.00 0.00 C ATOM 334 O GLY A 24 -2.472 12.344 -6.751 1.00 0.00 O ATOM 0 H GLY A 24 0.295 13.048 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.276 14.002 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.745 14.032 -5.472 1.00 0.00 H new ATOM 338 N MET A 25 -1.490 11.014 -5.208 1.00 0.00 N ATOM 339 CA MET A 25 -1.838 9.779 -5.888 1.00 0.00 C ATOM 340 C MET A 25 -2.556 8.815 -4.942 1.00 0.00 C ATOM 341 O MET A 25 -3.511 8.147 -5.337 1.00 0.00 O ATOM 342 CB MET A 25 -0.567 9.116 -6.424 1.00 0.00 C ATOM 343 CG MET A 25 0.114 10.002 -7.469 1.00 0.00 C ATOM 344 SD MET A 25 -1.019 10.356 -8.802 1.00 0.00 S ATOM 345 CE MET A 25 -1.061 8.762 -9.605 1.00 0.00 C ATOM 0 H MET A 25 -0.967 10.891 -4.341 1.00 0.00 H new ATOM 0 HA MET A 25 -2.510 10.017 -6.712 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.121 8.923 -5.601 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.814 8.151 -6.866 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.447 10.932 -7.008 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.001 9.503 -7.858 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.021 8.632 -10.105 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.258 8.704 -10.340 1.00 0.00 H new ATOM 0 HE3 MET A 25 -0.930 7.976 -8.861 1.00 0.00 H new ATOM 355 N VAL A 26 -2.070 8.773 -3.710 1.00 0.00 N ATOM 356 CA VAL A 26 -2.654 7.903 -2.704 1.00 0.00 C ATOM 357 C VAL A 26 -4.180 7.970 -2.800 1.00 0.00 C ATOM 358 O VAL A 26 -4.845 6.941 -2.901 1.00 0.00 O ATOM 359 CB VAL A 26 -2.126 8.276 -1.317 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.724 9.602 -0.842 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.396 7.159 -0.308 1.00 0.00 C ATOM 0 H VAL A 26 -1.278 9.328 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.362 6.868 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.046 8.403 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.333 9.844 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.457 10.393 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.809 9.514 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.011 7.450 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.470 6.984 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.901 6.245 -0.636 1.00 0.00 H new ATOM 371 N GLY A 27 -4.689 9.193 -2.766 1.00 0.00 N ATOM 372 CA GLY A 27 -6.124 9.408 -2.848 1.00 0.00 C ATOM 373 C GLY A 27 -6.741 8.570 -3.969 1.00 0.00 C ATOM 374 O GLY A 27 -7.877 8.112 -3.854 1.00 0.00 O ATOM 0 H GLY A 27 -4.134 10.045 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.589 9.148 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.328 10.464 -3.025 1.00 0.00 H new ATOM 378 N PHE A 28 -5.965 8.394 -5.029 1.00 0.00 N ATOM 379 CA PHE A 28 -6.421 7.619 -6.170 1.00 0.00 C ATOM 380 C PHE A 28 -6.035 6.146 -6.022 1.00 0.00 C ATOM 381 O PHE A 28 -6.655 5.274 -6.629 1.00 0.00 O ATOM 382 CB PHE A 28 -5.727 8.194 -7.407 1.00 0.00 C ATOM 383 CG PHE A 28 -5.595 7.202 -8.564 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.649 6.413 -8.907 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.424 7.109 -9.249 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.526 5.492 -9.981 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.301 6.188 -10.323 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.355 5.399 -10.666 1.00 0.00 C ATOM 0 H PHE A 28 -5.023 8.775 -5.121 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.507 7.676 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.284 9.066 -7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.733 8.542 -7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.579 6.487 -8.363 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.588 7.735 -8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.362 4.866 -10.254 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.371 6.114 -10.867 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.262 4.699 -11.483 1.00 0.00 H new ATOM 398 N ILE A 29 -5.012 5.914 -5.212 1.00 0.00 N ATOM 399 CA ILE A 29 -4.536 4.562 -4.977 1.00 0.00 C ATOM 400 C ILE A 29 -5.635 3.751 -4.288 1.00 0.00 C ATOM 401 O ILE A 29 -5.930 2.628 -4.693 1.00 0.00 O ATOM 402 CB ILE A 29 -3.215 4.586 -4.206 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.127 5.307 -5.004 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.789 3.172 -3.803 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.733 4.922 -4.504 1.00 0.00 C ATOM 0 H ILE A 29 -4.500 6.640 -4.711 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.318 4.065 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.367 5.151 -3.286 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.220 5.057 -6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.263 6.385 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.847 3.218 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.556 2.728 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.660 2.562 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.021 5.449 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.635 5.196 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.591 3.847 -4.613 1.00 0.00 H new ATOM 417 N ILE A 30 -6.213 4.353 -3.258 1.00 0.00 N ATOM 418 CA ILE A 30 -7.274 3.701 -2.509 1.00 0.00 C ATOM 419 C ILE A 30 -8.304 3.130 -3.485 1.00 0.00 C ATOM 420 O ILE A 30 -8.530 1.921 -3.518 1.00 0.00 O ATOM 421 CB ILE A 30 -7.869 4.661 -1.477 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.768 5.416 -0.731 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.808 3.924 -0.521 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.747 6.893 -1.132 1.00 0.00 C ATOM 0 H ILE A 30 -5.966 5.285 -2.925 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.877 2.862 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.466 5.404 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.927 5.330 0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.801 4.963 -0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.217 4.629 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.622 3.471 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.255 3.145 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.955 7.407 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.564 6.977 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.707 7.349 -0.892 1.00 0.00 H new ATOM 436 N GLY A 31 -8.903 4.026 -4.256 1.00 0.00 N ATOM 437 CA GLY A 31 -9.904 3.626 -5.229 1.00 0.00 C ATOM 438 C GLY A 31 -11.284 4.168 -4.851 1.00 0.00 C ATOM 439 O GLY A 31 -11.490 4.619 -3.725 1.00 0.00 O ATOM 0 H GLY A 31 -8.714 5.028 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.623 3.993 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.941 2.538 -5.292 1.00 0.00 H new ATOM 481 N GLU A 35 -11.166 -0.182 -3.405 1.00 0.00 N ATOM 482 CA GLU A 35 -11.001 -1.479 -4.038 1.00 0.00 C ATOM 483 C GLU A 35 -9.706 -1.511 -4.852 1.00 0.00 C ATOM 484 O GLU A 35 -9.125 -2.576 -5.059 1.00 0.00 O ATOM 485 CB GLU A 35 -12.208 -1.819 -4.915 1.00 0.00 C ATOM 486 CG GLU A 35 -12.393 -0.778 -6.020 1.00 0.00 C ATOM 487 CD GLU A 35 -13.325 -1.301 -7.115 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.278 -2.024 -6.753 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.062 -0.966 -8.291 1.00 0.00 O ATOM 0 HA GLU A 35 -10.936 -2.237 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.073 -2.805 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.107 -1.866 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.803 0.139 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.425 -0.525 -6.452 1.00 0.00 H new ATOM 496 N GLN A 36 -9.291 -0.332 -5.292 1.00 0.00 N ATOM 497 CA GLN A 36 -8.076 -0.212 -6.079 1.00 0.00 C ATOM 498 C GLN A 36 -6.884 -0.776 -5.304 1.00 0.00 C ATOM 499 O GLN A 36 -6.064 -1.505 -5.861 1.00 0.00 O ATOM 500 CB GLN A 36 -7.827 1.242 -6.486 1.00 0.00 C ATOM 501 CG GLN A 36 -6.508 1.380 -7.249 1.00 0.00 C ATOM 502 CD GLN A 36 -6.760 1.585 -8.744 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.886 1.622 -9.212 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.651 1.715 -9.467 1.00 0.00 N ATOM 0 H GLN A 36 -9.775 0.549 -5.118 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.199 -0.794 -6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.650 1.595 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.805 1.873 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.941 2.222 -6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.901 0.488 -7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.739 1.675 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.713 1.855 -10.475 1.00 0.00 H new ATOM 513 N ILE A 37 -6.825 -0.419 -4.029 1.00 0.00 N ATOM 514 CA ILE A 37 -5.746 -0.880 -3.171 1.00 0.00 C ATOM 515 C ILE A 37 -5.974 -2.352 -2.820 1.00 0.00 C ATOM 516 O ILE A 37 -5.031 -3.141 -2.798 1.00 0.00 O ATOM 517 CB ILE A 37 -5.607 0.030 -1.949 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.287 -0.229 -1.221 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.813 -0.114 -1.019 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.147 0.574 -1.850 1.00 0.00 C ATOM 0 H ILE A 37 -7.507 0.184 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.791 -0.820 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.587 1.064 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.389 0.040 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.050 -1.292 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.689 0.543 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.721 0.159 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.889 -1.147 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.220 0.371 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.032 0.285 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.376 1.638 -1.791 1.00 0.00 H new ATOM 532 N SER A 38 -7.231 -2.676 -2.555 1.00 0.00 N ATOM 533 CA SER A 38 -7.595 -4.039 -2.205 1.00 0.00 C ATOM 534 C SER A 38 -6.962 -5.019 -3.195 1.00 0.00 C ATOM 535 O SER A 38 -6.316 -5.985 -2.790 1.00 0.00 O ATOM 536 CB SER A 38 -9.114 -4.215 -2.183 1.00 0.00 C ATOM 537 OG SER A 38 -9.539 -5.049 -1.108 1.00 0.00 O ATOM 0 H SER A 38 -8.010 -2.018 -2.576 1.00 0.00 H new ATOM 0 HA SER A 38 -7.218 -4.248 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.591 -3.239 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.443 -4.646 -3.128 1.00 0.00 H new ATOM 0 HG SER A 38 -10.515 -5.135 -1.127 1.00 0.00 H new ATOM 543 N ARG A 39 -7.168 -4.736 -4.473 1.00 0.00 N ATOM 544 CA ARG A 39 -6.626 -5.581 -5.523 1.00 0.00 C ATOM 545 C ARG A 39 -5.111 -5.724 -5.360 1.00 0.00 C ATOM 546 O ARG A 39 -4.545 -6.768 -5.680 1.00 0.00 O ATOM 547 CB ARG A 39 -6.931 -5.004 -6.907 1.00 0.00 C ATOM 548 CG ARG A 39 -7.565 -6.060 -7.814 1.00 0.00 C ATOM 549 CD ARG A 39 -8.711 -5.463 -8.633 1.00 0.00 C ATOM 550 NE ARG A 39 -9.271 -6.488 -9.542 1.00 0.00 N ATOM 551 CZ ARG A 39 -10.166 -7.413 -9.171 1.00 0.00 C ATOM 552 NH1 ARG A 39 -10.609 -7.447 -7.906 1.00 0.00 N ATOM 553 NH2 ARG A 39 -10.619 -8.303 -10.064 1.00 0.00 N ATOM 0 H ARG A 39 -7.703 -3.933 -4.805 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.098 -6.560 -5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.604 -4.152 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.012 -4.634 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.809 -6.470 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.938 -6.887 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.490 -5.091 -7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.351 -4.611 -9.210 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.956 -6.490 -10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.265 -6.769 -7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.291 -8.151 -7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.282 -8.276 -11.026 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.300 -9.007 -9.781 1.00 0.00 H new ATOM 567 N ILE A 40 -4.498 -4.660 -4.863 1.00 0.00 N ATOM 568 CA ILE A 40 -3.060 -4.653 -4.654 1.00 0.00 C ATOM 569 C ILE A 40 -2.726 -5.485 -3.415 1.00 0.00 C ATOM 570 O ILE A 40 -1.722 -6.195 -3.391 1.00 0.00 O ATOM 571 CB ILE A 40 -2.534 -3.218 -4.592 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.043 -2.396 -5.777 1.00 0.00 C ATOM 573 CG2 ILE A 40 -1.008 -3.198 -4.492 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.728 -0.910 -5.589 1.00 0.00 C ATOM 0 H ILE A 40 -4.971 -3.796 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.550 -5.118 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.921 -2.750 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.583 -2.755 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.119 -2.533 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.660 -2.166 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.696 -3.724 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.580 -3.690 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.100 -0.348 -6.445 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.209 -0.548 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.650 -0.774 -5.507 1.00 0.00 H new ATOM 586 N GLN A 41 -3.587 -5.370 -2.414 1.00 0.00 N ATOM 587 CA GLN A 41 -3.396 -6.103 -1.174 1.00 0.00 C ATOM 588 C GLN A 41 -3.624 -7.599 -1.401 1.00 0.00 C ATOM 589 O GLN A 41 -2.967 -8.432 -0.778 1.00 0.00 O ATOM 590 CB GLN A 41 -4.315 -5.569 -0.074 1.00 0.00 C ATOM 591 CG GLN A 41 -3.694 -4.353 0.617 1.00 0.00 C ATOM 592 CD GLN A 41 -4.495 -3.961 1.861 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.658 -4.730 2.794 1.00 0.00 O ATOM 594 NE2 GLN A 41 -4.984 -2.725 1.821 1.00 0.00 N ATOM 0 H GLN A 41 -4.419 -4.780 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.367 -5.958 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.279 -5.295 -0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.503 -6.352 0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.665 -4.576 0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.660 -3.514 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.810 -2.134 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.533 -2.368 2.603 1.00 0.00 H new ATOM 603 N GLN A 42 -4.557 -7.894 -2.294 1.00 0.00 N ATOM 604 CA GLN A 42 -4.879 -9.275 -2.611 1.00 0.00 C ATOM 605 C GLN A 42 -3.911 -9.819 -3.663 1.00 0.00 C ATOM 606 O GLN A 42 -3.542 -10.992 -3.625 1.00 0.00 O ATOM 607 CB GLN A 42 -6.329 -9.405 -3.082 1.00 0.00 C ATOM 608 CG GLN A 42 -7.305 -9.102 -1.943 1.00 0.00 C ATOM 609 CD GLN A 42 -8.095 -10.352 -1.551 1.00 0.00 C ATOM 610 OE1 GLN A 42 -8.361 -11.228 -2.357 1.00 0.00 O ATOM 611 NE2 GLN A 42 -8.455 -10.385 -0.271 1.00 0.00 N ATOM 0 H GLN A 42 -5.100 -7.200 -2.808 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.770 -9.870 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.508 -8.721 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.504 -10.413 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.756 -8.728 -1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.993 -8.314 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.199 -9.618 0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.987 -11.178 0.089 1.00 0.00 H new ATOM 620 N GLU A 43 -3.525 -8.940 -4.577 1.00 0.00 N ATOM 621 CA GLU A 43 -2.606 -9.317 -5.637 1.00 0.00 C ATOM 622 C GLU A 43 -1.296 -9.839 -5.043 1.00 0.00 C ATOM 623 O GLU A 43 -0.870 -10.951 -5.352 1.00 0.00 O ATOM 624 CB GLU A 43 -2.350 -8.143 -6.584 1.00 0.00 C ATOM 625 CG GLU A 43 -3.349 -8.146 -7.743 1.00 0.00 C ATOM 626 CD GLU A 43 -2.759 -8.838 -8.974 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.192 -9.937 -8.790 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.888 -8.252 -10.070 1.00 0.00 O ATOM 0 H GLU A 43 -3.832 -7.968 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.062 -10.118 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.427 -7.205 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.334 -8.201 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.263 -8.655 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.623 -7.121 -7.994 1.00 0.00 H new ATOM 635 N SER A 44 -0.694 -9.012 -4.202 1.00 0.00 N ATOM 636 CA SER A 44 0.559 -9.376 -3.562 1.00 0.00 C ATOM 637 C SER A 44 0.282 -10.147 -2.270 1.00 0.00 C ATOM 638 O SER A 44 1.153 -10.855 -1.768 1.00 0.00 O ATOM 639 CB SER A 44 1.408 -8.137 -3.269 1.00 0.00 C ATOM 640 OG SER A 44 0.803 -7.294 -2.292 1.00 0.00 O ATOM 0 H SER A 44 -1.050 -8.091 -3.948 1.00 0.00 H new ATOM 0 HA SER A 44 1.119 -10.014 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.393 -8.447 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.558 -7.574 -4.190 1.00 0.00 H new ATOM 0 HG SER A 44 -0.032 -6.926 -2.649 1.00 0.00 H new ATOM 646 N GLY A 45 -0.934 -9.983 -1.770 1.00 0.00 N ATOM 647 CA GLY A 45 -1.336 -10.655 -0.546 1.00 0.00 C ATOM 648 C GLY A 45 -0.670 -10.017 0.675 1.00 0.00 C ATOM 649 O GLY A 45 -0.543 -10.653 1.720 1.00 0.00 O ATOM 0 H GLY A 45 -1.654 -9.395 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.420 -10.607 -0.440 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.067 -11.710 -0.601 1.00 0.00 H new ATOM 653 N CYS A 46 -0.263 -8.768 0.501 1.00 0.00 N ATOM 654 CA CYS A 46 0.387 -8.037 1.575 1.00 0.00 C ATOM 655 C CYS A 46 -0.608 -7.017 2.132 1.00 0.00 C ATOM 656 O CYS A 46 -1.562 -6.641 1.454 1.00 0.00 O ATOM 657 CB CYS A 46 1.683 -7.373 1.105 1.00 0.00 C ATOM 658 SG CYS A 46 3.009 -7.647 2.336 1.00 0.00 S ATOM 0 H CYS A 46 -0.371 -8.244 -0.367 1.00 0.00 H new ATOM 0 HA CYS A 46 0.678 -8.729 2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.981 -7.782 0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.523 -6.304 0.963 1.00 0.00 H new ATOM 0 HG CYS A 46 2.495 -7.667 3.530 1.00 0.00 H new ATOM 664 N LYS A 47 -0.350 -6.597 3.362 1.00 0.00 N ATOM 665 CA LYS A 47 -1.211 -5.627 4.018 1.00 0.00 C ATOM 666 C LYS A 47 -0.681 -4.217 3.749 1.00 0.00 C ATOM 667 O LYS A 47 0.529 -4.005 3.694 1.00 0.00 O ATOM 668 CB LYS A 47 -1.353 -5.957 5.505 1.00 0.00 C ATOM 669 CG LYS A 47 -2.689 -5.449 6.054 1.00 0.00 C ATOM 670 CD LYS A 47 -2.497 -4.744 7.398 1.00 0.00 C ATOM 671 CE LYS A 47 -3.167 -5.527 8.528 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.465 -4.913 8.886 1.00 0.00 N ATOM 0 H LYS A 47 0.443 -6.911 3.922 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.219 -5.673 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.282 -7.035 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.532 -5.506 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.142 -4.761 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.379 -6.285 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.433 -4.636 7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.916 -3.739 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.320 -6.561 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.515 -5.547 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.906 -5.457 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.311 -3.933 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.091 -4.916 8.056 1.00 0.00 H new ATOM 686 N ILE A 48 -1.614 -3.290 3.587 1.00 0.00 N ATOM 687 CA ILE A 48 -1.256 -1.907 3.325 1.00 0.00 C ATOM 688 C ILE A 48 -2.105 -0.989 4.207 1.00 0.00 C ATOM 689 O ILE A 48 -3.279 -0.759 3.921 1.00 0.00 O ATOM 690 CB ILE A 48 -1.368 -1.598 1.830 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.366 -2.427 1.024 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.216 -0.099 1.567 1.00 0.00 C ATOM 693 CD1 ILE A 48 -0.875 -2.671 -0.398 1.00 0.00 C ATOM 0 H ILE A 48 -2.617 -3.470 3.632 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.213 -1.728 3.587 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.365 -1.883 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.593 -1.910 0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.195 -3.382 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.300 0.093 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.999 0.444 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.241 0.235 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.144 -3.262 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.822 -3.209 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.022 -1.715 -0.901 1.00 0.00 H new ATOM 705 N GLN A 49 -1.479 -0.490 5.262 1.00 0.00 N ATOM 706 CA GLN A 49 -2.162 0.398 6.188 1.00 0.00 C ATOM 707 C GLN A 49 -1.822 1.856 5.874 1.00 0.00 C ATOM 708 O GLN A 49 -0.755 2.342 6.245 1.00 0.00 O ATOM 709 CB GLN A 49 -1.813 0.053 7.637 1.00 0.00 C ATOM 710 CG GLN A 49 -2.960 -0.700 8.313 1.00 0.00 C ATOM 711 CD GLN A 49 -3.146 -0.233 9.758 1.00 0.00 C ATOM 712 OE1 GLN A 49 -2.870 0.902 10.111 1.00 0.00 O ATOM 713 NE2 GLN A 49 -3.629 -1.168 10.571 1.00 0.00 N ATOM 0 H GLN A 49 -0.505 -0.684 5.497 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.237 0.262 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.909 -0.556 7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.597 0.967 8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.883 -0.542 7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.757 -1.771 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.839 -2.099 10.210 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.790 -0.954 11.555 1.00 0.00 H new ATOM 722 N ILE A 50 -2.750 2.513 5.193 1.00 0.00 N ATOM 723 CA ILE A 50 -2.562 3.906 4.825 1.00 0.00 C ATOM 724 C ILE A 50 -3.252 4.800 5.857 1.00 0.00 C ATOM 725 O ILE A 50 -4.452 4.667 6.095 1.00 0.00 O ATOM 726 CB ILE A 50 -3.031 4.149 3.389 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.624 2.991 2.476 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.525 5.495 2.867 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.993 3.285 1.021 1.00 0.00 C ATOM 0 H ILE A 50 -3.634 2.106 4.887 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.503 4.163 4.838 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.120 4.192 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.550 2.821 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.117 2.075 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.873 5.643 1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.906 6.297 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.435 5.506 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.693 2.446 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.070 3.431 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.479 4.188 0.691 1.00 0.00 H new ATOM 741 N ALA A 51 -2.465 5.690 6.444 1.00 0.00 N ATOM 742 CA ALA A 51 -2.986 6.605 7.445 1.00 0.00 C ATOM 743 C ALA A 51 -3.967 7.574 6.782 1.00 0.00 C ATOM 744 O ALA A 51 -3.939 7.757 5.566 1.00 0.00 O ATOM 745 CB ALA A 51 -1.824 7.328 8.129 1.00 0.00 C ATOM 0 H ALA A 51 -1.470 5.797 6.245 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.531 6.061 8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.214 8.015 8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.173 6.597 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.256 7.888 7.386 1.00 0.00 H new ATOM 821 N PRO A 58 4.603 15.523 2.378 1.00 0.00 N ATOM 822 CA PRO A 58 4.198 15.504 0.983 1.00 0.00 C ATOM 823 C PRO A 58 3.780 14.096 0.553 1.00 0.00 C ATOM 824 O PRO A 58 2.920 13.937 -0.312 1.00 0.00 O ATOM 825 CB PRO A 58 5.403 16.026 0.217 1.00 0.00 C ATOM 826 CG PRO A 58 6.589 15.878 1.155 1.00 0.00 C ATOM 827 CD PRO A 58 6.049 15.616 2.552 1.00 0.00 C ATOM 0 HA PRO A 58 3.322 16.123 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.558 15.459 -0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.261 17.067 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.230 15.057 0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.199 16.781 1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.458 14.695 2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.315 16.421 3.237 1.00 0.00 H new ATOM 835 N GLU A 59 4.408 13.110 1.176 1.00 0.00 N ATOM 836 CA GLU A 59 4.112 11.721 0.869 1.00 0.00 C ATOM 837 C GLU A 59 3.382 11.063 2.041 1.00 0.00 C ATOM 838 O GLU A 59 3.711 11.309 3.200 1.00 0.00 O ATOM 839 CB GLU A 59 5.388 10.954 0.516 1.00 0.00 C ATOM 840 CG GLU A 59 5.931 11.390 -0.846 1.00 0.00 C ATOM 841 CD GLU A 59 7.298 12.062 -0.701 1.00 0.00 C ATOM 842 OE1 GLU A 59 7.403 12.953 0.170 1.00 0.00 O ATOM 843 OE2 GLU A 59 8.207 11.671 -1.465 1.00 0.00 O ATOM 0 H GLU A 59 5.121 13.246 1.893 1.00 0.00 H new ATOM 0 HA GLU A 59 3.458 11.692 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.143 11.124 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.182 9.884 0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.015 10.524 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.231 12.080 -1.317 1.00 0.00 H new ATOM 850 N ARG A 60 2.403 10.238 1.698 1.00 0.00 N ATOM 851 CA ARG A 60 1.623 9.541 2.707 1.00 0.00 C ATOM 852 C ARG A 60 2.298 8.220 3.082 1.00 0.00 C ATOM 853 O ARG A 60 2.572 7.392 2.215 1.00 0.00 O ATOM 854 CB ARG A 60 0.205 9.258 2.209 1.00 0.00 C ATOM 855 CG ARG A 60 -0.545 8.343 3.179 1.00 0.00 C ATOM 856 CD ARG A 60 -1.364 9.159 4.181 1.00 0.00 C ATOM 857 NE ARG A 60 -0.593 9.349 5.430 1.00 0.00 N ATOM 858 CZ ARG A 60 -1.142 9.657 6.613 1.00 0.00 C ATOM 859 NH1 ARG A 60 -2.469 9.813 6.715 1.00 0.00 N ATOM 860 NH2 ARG A 60 -0.365 9.810 7.693 1.00 0.00 N ATOM 0 H ARG A 60 2.132 10.037 0.735 1.00 0.00 H new ATOM 0 HA ARG A 60 1.566 10.185 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.338 10.196 2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.248 8.793 1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.204 7.678 2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.166 7.712 3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.620 10.127 3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.302 8.648 4.397 1.00 0.00 H new ATOM 0 HE ARG A 60 0.420 9.239 5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.061 9.697 5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.887 10.047 7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.645 9.692 7.615 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.783 10.044 8.593 1.00 0.00 H new ATOM 874 N SER A 61 2.547 8.065 4.374 1.00 0.00 N ATOM 875 CA SER A 61 3.185 6.859 4.873 1.00 0.00 C ATOM 876 C SER A 61 2.198 5.690 4.833 1.00 0.00 C ATOM 877 O SER A 61 1.080 5.800 5.334 1.00 0.00 O ATOM 878 CB SER A 61 3.710 7.062 6.296 1.00 0.00 C ATOM 879 OG SER A 61 4.422 5.922 6.770 1.00 0.00 O ATOM 0 H SER A 61 2.318 8.754 5.090 1.00 0.00 H new ATOM 0 HA SER A 61 4.035 6.631 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.364 7.934 6.320 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.875 7.271 6.964 1.00 0.00 H new ATOM 0 HG SER A 61 5.252 6.212 7.203 1.00 0.00 H new ATOM 885 N CYS A 62 2.647 4.598 4.233 1.00 0.00 N ATOM 886 CA CYS A 62 1.817 3.410 4.121 1.00 0.00 C ATOM 887 C CYS A 62 2.561 2.242 4.770 1.00 0.00 C ATOM 888 O CYS A 62 3.559 1.762 4.235 1.00 0.00 O ATOM 889 CB CYS A 62 1.448 3.113 2.666 1.00 0.00 C ATOM 890 SG CYS A 62 0.392 4.453 2.003 1.00 0.00 S ATOM 0 H CYS A 62 3.575 4.510 3.819 1.00 0.00 H new ATOM 0 HA CYS A 62 0.873 3.572 4.641 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.352 3.020 2.064 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.923 2.160 2.602 1.00 0.00 H new ATOM 0 HG CYS A 62 0.086 4.193 0.767 1.00 0.00 H new ATOM 896 N MET A 63 2.047 1.817 5.915 1.00 0.00 N ATOM 897 CA MET A 63 2.650 0.714 6.644 1.00 0.00 C ATOM 898 C MET A 63 2.291 -0.628 6.002 1.00 0.00 C ATOM 899 O MET A 63 1.126 -1.023 5.991 1.00 0.00 O ATOM 900 CB MET A 63 2.163 0.733 8.094 1.00 0.00 C ATOM 901 CG MET A 63 2.888 1.812 8.901 1.00 0.00 C ATOM 902 SD MET A 63 3.799 1.063 10.241 1.00 0.00 S ATOM 903 CE MET A 63 5.429 1.010 9.516 1.00 0.00 C ATOM 0 H MET A 63 1.219 2.217 6.356 1.00 0.00 H new ATOM 0 HA MET A 63 3.733 0.832 6.614 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.089 0.916 8.118 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.331 -0.242 8.551 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.567 2.367 8.254 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.167 2.528 9.296 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.128 0.567 10.225 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.404 0.409 8.607 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.752 2.022 9.272 1.00 0.00 H new ATOM 913 N LEU A 64 3.313 -1.292 5.483 1.00 0.00 N ATOM 914 CA LEU A 64 3.120 -2.581 4.842 1.00 0.00 C ATOM 915 C LEU A 64 3.470 -3.695 5.830 1.00 0.00 C ATOM 916 O LEU A 64 4.368 -3.538 6.656 1.00 0.00 O ATOM 917 CB LEU A 64 3.909 -2.651 3.532 1.00 0.00 C ATOM 918 CG LEU A 64 3.557 -1.596 2.481 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.753 -0.684 2.198 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.021 -2.250 1.206 1.00 0.00 C ATOM 0 H LEU A 64 4.278 -0.961 5.493 1.00 0.00 H new ATOM 0 HA LEU A 64 2.074 -2.716 4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.970 -2.564 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.759 -3.637 3.093 1.00 0.00 H new ATOM 0 HG LEU A 64 2.760 -0.968 2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.476 0.057 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.049 -0.177 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.586 -1.281 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.778 -1.478 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.778 -2.916 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.124 -2.823 1.440 1.00 0.00 H new ATOM 932 N THR A 65 2.743 -4.796 5.712 1.00 0.00 N ATOM 933 CA THR A 65 2.965 -5.937 6.585 1.00 0.00 C ATOM 934 C THR A 65 2.747 -7.244 5.821 1.00 0.00 C ATOM 935 O THR A 65 1.767 -7.384 5.090 1.00 0.00 O ATOM 936 CB THR A 65 2.051 -5.785 7.803 1.00 0.00 C ATOM 937 OG1 THR A 65 2.344 -4.480 8.296 1.00 0.00 O ATOM 938 CG2 THR A 65 2.447 -6.715 8.951 1.00 0.00 C ATOM 0 H THR A 65 2.000 -4.923 5.025 1.00 0.00 H new ATOM 0 HA THR A 65 3.996 -5.971 6.936 1.00 0.00 H new ATOM 0 HB THR A 65 1.020 -5.987 7.511 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.794 -4.298 9.086 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.767 -6.567 9.790 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.391 -7.751 8.616 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.466 -6.491 9.266 1.00 0.00 H new ATOM 946 N GLY A 66 3.676 -8.168 6.015 1.00 0.00 N ATOM 947 CA GLY A 66 3.598 -9.459 5.353 1.00 0.00 C ATOM 948 C GLY A 66 4.980 -9.919 4.883 1.00 0.00 C ATOM 949 O GLY A 66 5.996 -9.362 5.294 1.00 0.00 O ATOM 0 H GLY A 66 4.487 -8.048 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.178 -10.197 6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.923 -9.394 4.500 1.00 0.00 H new ATOM 953 N THR A 67 4.972 -10.931 4.027 1.00 0.00 N ATOM 954 CA THR A 67 6.211 -11.472 3.496 1.00 0.00 C ATOM 955 C THR A 67 7.035 -10.366 2.832 1.00 0.00 C ATOM 956 O THR A 67 6.504 -9.309 2.495 1.00 0.00 O ATOM 957 CB THR A 67 5.859 -12.619 2.548 1.00 0.00 C ATOM 958 OG1 THR A 67 5.049 -12.008 1.548 1.00 0.00 O ATOM 959 CG2 THR A 67 4.934 -13.652 3.197 1.00 0.00 C ATOM 0 H THR A 67 4.127 -11.390 3.688 1.00 0.00 H new ATOM 0 HA THR A 67 6.841 -11.871 4.291 1.00 0.00 H new ATOM 0 HB THR A 67 6.774 -13.109 2.216 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.121 -11.965 1.860 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.715 -14.445 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.423 -14.079 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.005 -13.169 3.499 1.00 0.00 H new ATOM 967 N PRO A 68 8.352 -10.655 2.660 1.00 0.00 N ATOM 968 CA PRO A 68 9.254 -9.698 2.042 1.00 0.00 C ATOM 969 C PRO A 68 9.035 -9.635 0.529 1.00 0.00 C ATOM 970 O PRO A 68 9.211 -8.584 -0.084 1.00 0.00 O ATOM 971 CB PRO A 68 10.648 -10.170 2.421 1.00 0.00 C ATOM 972 CG PRO A 68 10.497 -11.624 2.841 1.00 0.00 C ATOM 973 CD PRO A 68 9.016 -11.897 3.047 1.00 0.00 C ATOM 0 HA PRO A 68 9.085 -8.678 2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.334 -10.076 1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.056 -9.569 3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.905 -12.286 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.052 -11.816 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.679 -12.734 2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.801 -12.154 4.084 1.00 0.00 H new ATOM 981 N GLU A 69 8.653 -10.775 -0.029 1.00 0.00 N ATOM 982 CA GLU A 69 8.408 -10.862 -1.458 1.00 0.00 C ATOM 983 C GLU A 69 7.068 -10.212 -1.808 1.00 0.00 C ATOM 984 O GLU A 69 6.846 -9.814 -2.950 1.00 0.00 O ATOM 985 CB GLU A 69 8.453 -12.316 -1.934 1.00 0.00 C ATOM 986 CG GLU A 69 9.865 -12.704 -2.379 1.00 0.00 C ATOM 987 CD GLU A 69 9.832 -13.460 -3.709 1.00 0.00 C ATOM 988 OE1 GLU A 69 9.267 -14.575 -3.714 1.00 0.00 O ATOM 989 OE2 GLU A 69 10.373 -12.906 -4.690 1.00 0.00 O ATOM 0 H GLU A 69 8.507 -11.645 0.483 1.00 0.00 H new ATOM 0 HA GLU A 69 9.199 -10.319 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.127 -12.976 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.757 -12.453 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.477 -11.808 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.333 -13.325 -1.615 1.00 0.00 H new ATOM 996 N SER A 70 6.209 -10.126 -0.803 1.00 0.00 N ATOM 997 CA SER A 70 4.896 -9.531 -0.989 1.00 0.00 C ATOM 998 C SER A 70 4.985 -8.010 -0.842 1.00 0.00 C ATOM 999 O SER A 70 4.268 -7.275 -1.518 1.00 0.00 O ATOM 1000 CB SER A 70 3.886 -10.102 0.007 1.00 0.00 C ATOM 1001 OG SER A 70 3.577 -11.466 -0.269 1.00 0.00 O ATOM 0 H SER A 70 6.396 -10.458 0.143 1.00 0.00 H new ATOM 0 HA SER A 70 4.550 -9.773 -1.994 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.286 -10.018 1.017 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.972 -9.510 -0.024 1.00 0.00 H new ATOM 0 HG SER A 70 4.254 -12.044 0.140 1.00 0.00 H new ATOM 1007 N VAL A 71 5.871 -7.585 0.046 1.00 0.00 N ATOM 1008 CA VAL A 71 6.063 -6.165 0.291 1.00 0.00 C ATOM 1009 C VAL A 71 6.548 -5.492 -0.995 1.00 0.00 C ATOM 1010 O VAL A 71 6.090 -4.404 -1.340 1.00 0.00 O ATOM 1011 CB VAL A 71 7.017 -5.961 1.469 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.601 -4.547 1.464 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.320 -6.262 2.797 1.00 0.00 C ATOM 0 H VAL A 71 6.464 -8.198 0.605 1.00 0.00 H new ATOM 0 HA VAL A 71 5.120 -5.694 0.569 1.00 0.00 H new ATOM 0 HB VAL A 71 7.842 -6.664 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.276 -4.429 2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.151 -4.384 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.793 -3.819 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.020 -6.109 3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.466 -5.595 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.976 -7.296 2.801 1.00 0.00 H new ATOM 1023 N GLN A 72 7.468 -6.167 -1.668 1.00 0.00 N ATOM 1024 CA GLN A 72 8.020 -5.647 -2.907 1.00 0.00 C ATOM 1025 C GLN A 72 6.960 -5.669 -4.011 1.00 0.00 C ATOM 1026 O GLN A 72 6.659 -4.636 -4.607 1.00 0.00 O ATOM 1027 CB GLN A 72 9.264 -6.434 -3.326 1.00 0.00 C ATOM 1028 CG GLN A 72 10.535 -5.781 -2.781 1.00 0.00 C ATOM 1029 CD GLN A 72 11.731 -6.062 -3.693 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.800 -7.071 -4.376 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.665 -5.116 -3.668 1.00 0.00 N ATOM 0 H GLN A 72 7.845 -7.070 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 72 8.323 -4.613 -2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.191 -7.458 -2.960 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.316 -6.487 -4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.386 -4.705 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.741 -6.158 -1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.545 -4.296 -3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.502 -5.210 -4.243 1.00 0.00 H new ATOM 1040 N SER A 73 6.423 -6.856 -4.248 1.00 0.00 N ATOM 1041 CA SER A 73 5.404 -7.026 -5.269 1.00 0.00 C ATOM 1042 C SER A 73 4.337 -5.938 -5.129 1.00 0.00 C ATOM 1043 O SER A 73 4.042 -5.226 -6.088 1.00 0.00 O ATOM 1044 CB SER A 73 4.762 -8.412 -5.182 1.00 0.00 C ATOM 1045 OG SER A 73 5.736 -9.443 -5.044 1.00 0.00 O ATOM 0 H SER A 73 6.675 -7.710 -3.750 1.00 0.00 H new ATOM 0 HA SER A 73 5.880 -6.937 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.079 -8.443 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.167 -8.593 -6.077 1.00 0.00 H new ATOM 0 HG SER A 73 5.801 -9.707 -4.103 1.00 0.00 H new ATOM 1051 N ALA A 74 3.788 -5.843 -3.927 1.00 0.00 N ATOM 1052 CA ALA A 74 2.761 -4.854 -3.649 1.00 0.00 C ATOM 1053 C ALA A 74 3.286 -3.464 -4.011 1.00 0.00 C ATOM 1054 O ALA A 74 2.633 -2.720 -4.740 1.00 0.00 O ATOM 1055 CB ALA A 74 2.338 -4.955 -2.182 1.00 0.00 C ATOM 0 H ALA A 74 4.035 -6.435 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 74 1.875 -5.040 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.567 -4.213 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.944 -5.952 -1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.201 -4.772 -1.541 1.00 0.00 H new ATOM 1061 N LYS A 75 4.462 -3.155 -3.484 1.00 0.00 N ATOM 1062 CA LYS A 75 5.083 -1.867 -3.742 1.00 0.00 C ATOM 1063 C LYS A 75 4.995 -1.554 -5.237 1.00 0.00 C ATOM 1064 O LYS A 75 4.510 -0.492 -5.624 1.00 0.00 O ATOM 1065 CB LYS A 75 6.510 -1.840 -3.191 1.00 0.00 C ATOM 1066 CG LYS A 75 6.520 -1.441 -1.714 1.00 0.00 C ATOM 1067 CD LYS A 75 7.741 -2.022 -0.998 1.00 0.00 C ATOM 1068 CE LYS A 75 9.016 -1.272 -1.391 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.289 -1.437 -2.836 1.00 0.00 N ATOM 0 H LYS A 75 5.001 -3.775 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 75 4.549 -1.075 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.968 -2.822 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.112 -1.136 -3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.526 -0.354 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.609 -1.795 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.597 -1.962 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.845 -3.078 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.910 -0.213 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.859 -1.647 -0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.316 -1.499 -2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.834 -2.307 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.909 -0.621 -3.356 1.00 0.00 H new ATOM 1083 N ARG A 76 5.471 -2.498 -6.036 1.00 0.00 N ATOM 1084 CA ARG A 76 5.452 -2.336 -7.480 1.00 0.00 C ATOM 1085 C ARG A 76 4.057 -1.916 -7.948 1.00 0.00 C ATOM 1086 O ARG A 76 3.915 -0.958 -8.706 1.00 0.00 O ATOM 1087 CB ARG A 76 5.850 -3.634 -8.185 1.00 0.00 C ATOM 1088 CG ARG A 76 7.293 -4.019 -7.850 1.00 0.00 C ATOM 1089 CD ARG A 76 8.211 -3.803 -9.055 1.00 0.00 C ATOM 1090 NE ARG A 76 8.518 -5.100 -9.697 1.00 0.00 N ATOM 1091 CZ ARG A 76 9.364 -5.249 -10.725 1.00 0.00 C ATOM 1092 NH1 ARG A 76 9.992 -4.181 -11.235 1.00 0.00 N ATOM 1093 NH2 ARG A 76 9.581 -6.465 -11.244 1.00 0.00 N ATOM 0 H ARG A 76 5.872 -3.378 -5.711 1.00 0.00 H new ATOM 0 HA ARG A 76 6.174 -1.561 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.176 -4.437 -7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.743 -3.514 -9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.646 -3.424 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.332 -5.063 -7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.732 -3.137 -9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.134 -3.318 -8.737 1.00 0.00 H new ATOM 0 HE ARG A 76 8.056 -5.934 -9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.826 -3.255 -10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.636 -4.294 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.102 -7.278 -10.856 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.225 -6.578 -12.027 1.00 0.00 H new ATOM 1107 N LEU A 77 3.062 -2.654 -7.477 1.00 0.00 N ATOM 1108 CA LEU A 77 1.684 -2.371 -7.839 1.00 0.00 C ATOM 1109 C LEU A 77 1.340 -0.936 -7.434 1.00 0.00 C ATOM 1110 O LEU A 77 0.656 -0.226 -8.170 1.00 0.00 O ATOM 1111 CB LEU A 77 0.746 -3.421 -7.240 1.00 0.00 C ATOM 1112 CG LEU A 77 0.782 -4.804 -7.894 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.176 -5.863 -6.971 1.00 0.00 C ATOM 1114 CD2 LEU A 77 0.102 -4.780 -9.264 1.00 0.00 C ATOM 0 H LEU A 77 3.183 -3.448 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 77 1.552 -2.439 -8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.987 -3.534 -6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.274 -3.041 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 77 1.824 -5.078 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.214 -6.836 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.742 -5.902 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.861 -5.606 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.141 -5.775 -9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.938 -4.475 -9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.618 -4.073 -9.914 1.00 0.00 H new ATOM 1126 N LEU A 78 1.829 -0.552 -6.264 1.00 0.00 N ATOM 1127 CA LEU A 78 1.581 0.785 -5.752 1.00 0.00 C ATOM 1128 C LEU A 78 2.253 1.810 -6.669 1.00 0.00 C ATOM 1129 O LEU A 78 1.574 2.571 -7.356 1.00 0.00 O ATOM 1130 CB LEU A 78 2.019 0.888 -4.289 1.00 0.00 C ATOM 1131 CG LEU A 78 1.295 -0.034 -3.306 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.958 0.006 -1.928 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.196 0.303 -3.235 1.00 0.00 C ATOM 0 H LEU A 78 2.396 -1.143 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 78 0.513 1.003 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.087 0.678 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.880 1.918 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 78 1.377 -1.057 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.424 -0.658 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.995 -0.319 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.928 1.024 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.687 -0.367 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.321 1.334 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.644 0.182 -4.221 1.00 0.00 H new ATOM 1145 N ASP A 79 3.577 1.796 -6.648 1.00 0.00 N ATOM 1146 CA ASP A 79 4.348 2.715 -7.469 1.00 0.00 C ATOM 1147 C ASP A 79 3.710 2.810 -8.857 1.00 0.00 C ATOM 1148 O ASP A 79 3.471 3.907 -9.360 1.00 0.00 O ATOM 1149 CB ASP A 79 5.786 2.224 -7.643 1.00 0.00 C ATOM 1150 CG ASP A 79 6.690 3.148 -8.461 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.528 4.379 -8.312 1.00 0.00 O ATOM 1152 OD2 ASP A 79 7.524 2.604 -9.217 1.00 0.00 O ATOM 0 H ASP A 79 4.136 1.163 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 79 4.356 3.685 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.229 2.087 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.764 1.245 -8.121 1.00 0.00 H new ATOM 1157 N GLN A 80 3.452 1.647 -9.436 1.00 0.00 N ATOM 1158 CA GLN A 80 2.846 1.585 -10.755 1.00 0.00 C ATOM 1159 C GLN A 80 1.772 2.665 -10.896 1.00 0.00 C ATOM 1160 O GLN A 80 1.869 3.533 -11.762 1.00 0.00 O ATOM 1161 CB GLN A 80 2.267 0.196 -11.028 1.00 0.00 C ATOM 1162 CG GLN A 80 3.133 -0.572 -12.029 1.00 0.00 C ATOM 1163 CD GLN A 80 2.444 -0.666 -13.392 1.00 0.00 C ATOM 1164 OE1 GLN A 80 2.893 -0.113 -14.382 1.00 0.00 O ATOM 1165 NE2 GLN A 80 1.332 -1.395 -13.386 1.00 0.00 N ATOM 0 H GLN A 80 3.652 0.739 -9.016 1.00 0.00 H new ATOM 0 HA GLN A 80 3.621 1.771 -11.499 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.200 -0.364 -10.095 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.253 0.291 -11.416 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.097 -0.074 -12.138 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.333 -1.574 -11.649 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.012 -1.831 -12.521 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.799 -1.519 -14.247 1.00 0.00 H new ATOM 1174 N ILE A 81 0.771 2.575 -10.033 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.321 3.533 -10.051 1.00 0.00 C ATOM 1176 C ILE A 81 0.245 4.942 -10.244 1.00 0.00 C ATOM 1177 O ILE A 81 -0.064 5.609 -11.230 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.185 3.385 -8.797 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -2.050 2.124 -8.873 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -2.024 4.641 -8.556 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.802 1.895 -7.560 1.00 0.00 C ATOM 0 H ILE A 81 0.693 1.853 -9.317 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.985 3.337 -10.893 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.523 3.271 -7.939 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.762 2.216 -9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.422 1.260 -9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.628 4.508 -7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.365 5.499 -8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.678 4.812 -9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.409 0.993 -7.641 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.086 1.779 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.447 2.750 -7.357 1.00 0.00 H new ATOM 1193 N VAL A 82 1.064 5.352 -9.286 1.00 0.00 N ATOM 1194 CA VAL A 82 1.676 6.669 -9.339 1.00 0.00 C ATOM 1195 C VAL A 82 2.298 6.883 -10.720 1.00 0.00 C ATOM 1196 O VAL A 82 2.071 7.912 -11.354 1.00 0.00 O ATOM 1197 CB VAL A 82 2.685 6.822 -8.199 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.508 8.101 -8.364 1.00 0.00 C ATOM 1199 CG2 VAL A 82 1.984 6.793 -6.839 1.00 0.00 C ATOM 0 H VAL A 82 1.318 4.796 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 82 0.924 7.446 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 82 3.370 5.975 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.217 8.186 -7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.051 8.065 -9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.843 8.965 -8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.724 6.904 -6.046 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.266 7.611 -6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.462 5.844 -6.719 1.00 0.00 H new