USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 590 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 74 GLN : amide:sc= -2.06 K(o=-2.1,f=-2.7!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= -0.0111 (180deg=-0.0109) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.777 X(o=-0.78,f=-1!) USER MOD Single : A 37 LYS NZ :NH3+ -137:sc= 0.738 (180deg=-0.163) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 37:sc= -2.05! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 9:sc= 0.541 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.7!) USER MOD Single : A 67 ASN :FLIP amide:sc= 0.0289 F(o=-0.71,f=0.029) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 50:sc= -0.104 USER MOD Single : A 78 CYS SG : rot -135:sc= -1.69 USER MOD Single : A 81 LYS NZ :NH3+ -168:sc=-0.00766 (180deg=-0.214) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0.597 (180deg=0.388) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 12.155 -7.544 4.914 1.00 0.00 N ATOM 229 CA MET A 19 12.116 -6.624 3.783 1.00 0.00 C ATOM 230 C MET A 19 12.257 -5.178 4.249 1.00 0.00 C ATOM 231 O MET A 19 12.949 -4.378 3.621 1.00 0.00 O ATOM 232 CB MET A 19 10.810 -6.795 3.005 1.00 0.00 C ATOM 233 CG MET A 19 10.698 -8.133 2.290 1.00 0.00 C ATOM 234 SD MET A 19 10.340 -7.957 0.531 1.00 0.00 S ATOM 235 CE MET A 19 10.380 -9.669 0.004 1.00 0.00 C ATOM 0 HA MET A 19 12.956 -6.858 3.129 1.00 0.00 H new ATOM 0 HB2 MET A 19 9.971 -6.688 3.692 1.00 0.00 H new ATOM 0 HB3 MET A 19 10.726 -5.993 2.272 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.630 -8.685 2.413 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.912 -8.726 2.759 1.00 0.00 H new ATOM 0 HE1 MET A 19 10.176 -9.725 -1.065 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.365 -10.090 0.208 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.624 -10.235 0.548 1.00 0.00 H new ATOM 245 N LEU A 20 11.597 -4.852 5.356 1.00 0.00 N ATOM 246 CA LEU A 20 11.651 -3.503 5.908 1.00 0.00 C ATOM 247 C LEU A 20 13.053 -3.179 6.416 1.00 0.00 C ATOM 248 O LEU A 20 13.502 -2.036 6.338 1.00 0.00 O ATOM 249 CB LEU A 20 10.637 -3.354 7.045 1.00 0.00 C ATOM 250 CG LEU A 20 9.192 -3.127 6.597 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.242 -3.249 7.779 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.048 -1.766 5.934 1.00 0.00 C ATOM 0 H LEU A 20 11.019 -5.503 5.888 1.00 0.00 H new ATOM 0 HA LEU A 20 11.401 -2.801 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.673 -4.251 7.664 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.941 -2.519 7.676 1.00 0.00 H new ATOM 0 HG LEU A 20 8.932 -3.894 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.219 -3.085 7.442 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.326 -4.246 8.212 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.500 -2.504 8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.014 -1.621 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.326 -0.985 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.701 -1.715 5.063 1.00 0.00 H new ATOM 264 N THR A 21 13.737 -4.193 6.935 1.00 0.00 N ATOM 265 CA THR A 21 15.088 -4.017 7.455 1.00 0.00 C ATOM 266 C THR A 21 16.106 -3.970 6.320 1.00 0.00 C ATOM 267 O THR A 21 17.049 -3.181 6.350 1.00 0.00 O ATOM 268 CB THR A 21 15.436 -5.150 8.421 1.00 0.00 C ATOM 269 OG1 THR A 21 14.282 -5.587 9.118 1.00 0.00 O ATOM 270 CG2 THR A 21 16.473 -4.761 9.452 1.00 0.00 C ATOM 0 H THR A 21 13.378 -5.145 7.007 1.00 0.00 H new ATOM 0 HA THR A 21 15.124 -3.068 7.990 1.00 0.00 H new ATOM 0 HB THR A 21 15.847 -5.944 7.798 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.525 -6.313 9.730 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.673 -5.610 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.393 -4.465 8.949 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.100 -3.927 10.046 1.00 0.00 H new ATOM 278 N SER A 22 15.906 -4.822 5.319 1.00 0.00 N ATOM 279 CA SER A 22 16.807 -4.878 4.173 1.00 0.00 C ATOM 280 C SER A 22 16.593 -3.680 3.254 1.00 0.00 C ATOM 281 O SER A 22 17.545 -2.996 2.879 1.00 0.00 O ATOM 282 CB SER A 22 16.595 -6.178 3.395 1.00 0.00 C ATOM 283 OG SER A 22 17.830 -6.722 2.961 1.00 0.00 O ATOM 0 H SER A 22 15.129 -5.482 5.278 1.00 0.00 H new ATOM 0 HA SER A 22 17.831 -4.848 4.545 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.077 -6.901 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.955 -5.989 2.533 1.00 0.00 H new ATOM 0 HG SER A 22 17.666 -7.553 2.468 1.00 0.00 H new ATOM 289 N LEU A 23 15.338 -3.432 2.895 1.00 0.00 N ATOM 290 CA LEU A 23 15.000 -2.316 2.020 1.00 0.00 C ATOM 291 C LEU A 23 15.393 -0.988 2.657 1.00 0.00 C ATOM 292 O LEU A 23 15.811 -0.057 1.968 1.00 0.00 O ATOM 293 CB LEU A 23 13.501 -2.322 1.707 1.00 0.00 C ATOM 294 CG LEU A 23 13.028 -3.480 0.829 1.00 0.00 C ATOM 295 CD1 LEU A 23 11.521 -3.656 0.946 1.00 0.00 C ATOM 296 CD2 LEU A 23 13.428 -3.247 -0.620 1.00 0.00 C ATOM 0 H LEU A 23 14.538 -3.989 3.197 1.00 0.00 H new ATOM 0 HA LEU A 23 15.558 -2.432 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.949 -2.350 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.244 -1.384 1.214 1.00 0.00 H new ATOM 0 HG LEU A 23 13.509 -4.395 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.201 -4.485 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.259 -3.868 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.022 -2.742 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 23 13.083 -4.081 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.975 -2.323 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 23 14.513 -3.170 -0.690 1.00 0.00 H new ATOM 308 N GLY A 24 15.256 -0.906 3.977 1.00 0.00 N ATOM 309 CA GLY A 24 15.603 0.312 4.684 1.00 0.00 C ATOM 310 C GLY A 24 14.428 1.262 4.814 1.00 0.00 C ATOM 311 O GLY A 24 14.609 2.477 4.891 1.00 0.00 O ATOM 0 H GLY A 24 14.911 -1.662 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.973 0.059 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.416 0.814 4.159 1.00 0.00 H new ATOM 315 N LEU A 25 13.221 0.708 4.836 1.00 0.00 N ATOM 316 CA LEU A 25 12.011 1.513 4.956 1.00 0.00 C ATOM 317 C LEU A 25 11.508 1.527 6.396 1.00 0.00 C ATOM 318 O LEU A 25 12.124 0.940 7.285 1.00 0.00 O ATOM 319 CB LEU A 25 10.920 0.978 4.028 1.00 0.00 C ATOM 320 CG LEU A 25 11.268 1.001 2.538 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.370 0.048 1.766 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.150 2.413 1.986 1.00 0.00 C ATOM 0 H LEU A 25 13.054 -0.296 4.772 1.00 0.00 H new ATOM 0 HA LEU A 25 12.255 2.534 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.690 -0.048 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.014 1.563 4.183 1.00 0.00 H new ATOM 0 HG LEU A 25 12.300 0.671 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.632 0.078 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.504 -0.965 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.329 0.347 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.401 2.411 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.129 2.771 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.836 3.071 2.520 1.00 0.00 H new ATOM 334 N LYS A 26 10.384 2.200 6.618 1.00 0.00 N ATOM 335 CA LYS A 26 9.797 2.289 7.949 1.00 0.00 C ATOM 336 C LYS A 26 8.353 2.773 7.875 1.00 0.00 C ATOM 337 O LYS A 26 7.990 3.544 6.986 1.00 0.00 O ATOM 338 CB LYS A 26 10.619 3.233 8.830 1.00 0.00 C ATOM 339 CG LYS A 26 10.811 2.727 10.251 1.00 0.00 C ATOM 340 CD LYS A 26 12.166 3.131 10.809 1.00 0.00 C ATOM 341 CE LYS A 26 12.055 4.339 11.724 1.00 0.00 C ATOM 342 NZ LYS A 26 12.389 5.605 11.017 1.00 0.00 N ATOM 0 H LYS A 26 9.862 2.692 5.893 1.00 0.00 H new ATOM 0 HA LYS A 26 9.805 1.292 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.596 3.385 8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.128 4.206 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.021 3.123 10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.719 1.641 10.267 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.598 2.295 11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.846 3.357 9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.042 4.402 12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.724 4.212 12.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.301 6.404 11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.365 5.556 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.735 5.740 10.220 1.00 0.00 H new ATOM 356 N LEU A 27 7.531 2.314 8.813 1.00 0.00 N ATOM 357 CA LEU A 27 6.125 2.700 8.853 1.00 0.00 C ATOM 358 C LEU A 27 5.977 4.179 9.195 1.00 0.00 C ATOM 359 O LEU A 27 6.091 4.573 10.355 1.00 0.00 O ATOM 360 CB LEU A 27 5.370 1.850 9.877 1.00 0.00 C ATOM 361 CG LEU A 27 5.109 0.404 9.450 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.857 -0.473 10.667 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.931 0.338 8.491 1.00 0.00 C ATOM 0 H LEU A 27 7.814 1.674 9.555 1.00 0.00 H new ATOM 0 HA LEU A 27 5.699 2.529 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.937 1.841 10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.414 2.328 10.090 1.00 0.00 H new ATOM 0 HG LEU A 27 5.994 0.030 8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.673 -1.498 10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.729 -0.449 11.320 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.987 -0.102 11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.759 -0.697 8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.040 0.729 8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.149 0.935 7.606 1.00 0.00 H new ATOM 375 N GLY A 28 5.724 4.993 8.175 1.00 0.00 N ATOM 376 CA GLY A 28 5.563 6.420 8.387 1.00 0.00 C ATOM 377 C GLY A 28 6.407 7.246 7.435 1.00 0.00 C ATOM 378 O GLY A 28 6.028 8.356 7.064 1.00 0.00 O ATOM 0 H GLY A 28 5.628 4.690 7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.514 6.687 8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.834 6.665 9.414 1.00 0.00 H new ATOM 382 N ASP A 29 7.553 6.703 7.040 1.00 0.00 N ATOM 383 CA ASP A 29 8.453 7.396 6.126 1.00 0.00 C ATOM 384 C ASP A 29 7.805 7.575 4.756 1.00 0.00 C ATOM 385 O ASP A 29 6.692 7.108 4.520 1.00 0.00 O ATOM 386 CB ASP A 29 9.766 6.625 5.985 1.00 0.00 C ATOM 387 CG ASP A 29 10.714 6.879 7.140 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.730 8.017 7.655 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.440 5.941 7.530 1.00 0.00 O ATOM 0 H ASP A 29 7.881 5.784 7.339 1.00 0.00 H new ATOM 0 HA ASP A 29 8.663 8.382 6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.552 5.558 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.252 6.908 5.051 1.00 0.00 H new ATOM 394 N ARG A 30 8.512 8.254 3.858 1.00 0.00 N ATOM 395 CA ARG A 30 8.006 8.494 2.511 1.00 0.00 C ATOM 396 C ARG A 30 8.518 7.432 1.543 1.00 0.00 C ATOM 397 O ARG A 30 9.721 7.185 1.455 1.00 0.00 O ATOM 398 CB ARG A 30 8.420 9.887 2.030 1.00 0.00 C ATOM 399 CG ARG A 30 7.312 10.921 2.139 1.00 0.00 C ATOM 400 CD ARG A 30 6.364 10.853 0.952 1.00 0.00 C ATOM 401 NE ARG A 30 6.063 12.178 0.416 1.00 0.00 N ATOM 402 CZ ARG A 30 5.053 12.429 -0.414 1.00 0.00 C ATOM 403 NH1 ARG A 30 4.246 11.450 -0.804 1.00 0.00 N ATOM 404 NH2 ARG A 30 4.849 13.663 -0.856 1.00 0.00 N ATOM 0 H ARG A 30 9.436 8.647 4.038 1.00 0.00 H new ATOM 0 HA ARG A 30 6.918 8.438 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.278 10.223 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.745 9.822 0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.753 10.761 3.061 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.749 11.918 2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.807 10.237 0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.437 10.365 1.255 1.00 0.00 H new ATOM 0 HE ARG A 30 6.661 12.956 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.398 10.499 -0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.474 11.649 -1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.466 14.419 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.075 13.856 -1.492 1.00 0.00 H new ATOM 418 N VAL A 31 7.597 6.809 0.815 1.00 0.00 N ATOM 419 CA VAL A 31 7.954 5.774 -0.148 1.00 0.00 C ATOM 420 C VAL A 31 7.548 6.175 -1.562 1.00 0.00 C ATOM 421 O VAL A 31 6.852 7.171 -1.760 1.00 0.00 O ATOM 422 CB VAL A 31 7.293 4.428 0.201 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.978 3.790 1.400 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.806 4.618 0.467 1.00 0.00 C ATOM 0 H VAL A 31 6.597 7.003 0.874 1.00 0.00 H new ATOM 0 HA VAL A 31 9.037 5.660 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 31 7.405 3.757 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.497 2.840 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.029 3.617 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.900 4.455 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.354 3.657 0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.671 5.306 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.327 5.028 -0.422 1.00 0.00 H new ATOM 434 N VAL A 32 7.988 5.393 -2.543 1.00 0.00 N ATOM 435 CA VAL A 32 7.671 5.667 -3.939 1.00 0.00 C ATOM 436 C VAL A 32 7.414 4.373 -4.707 1.00 0.00 C ATOM 437 O VAL A 32 8.276 3.496 -4.770 1.00 0.00 O ATOM 438 CB VAL A 32 8.805 6.451 -4.628 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.097 5.648 -4.619 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.411 6.825 -6.050 1.00 0.00 C ATOM 0 H VAL A 32 8.565 4.565 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 32 6.766 6.275 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 32 8.974 7.371 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.884 6.220 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.389 5.439 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.945 4.709 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.225 7.378 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.210 5.919 -6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.516 7.446 -6.028 1.00 0.00 H new ATOM 450 N ILE A 33 6.225 4.263 -5.290 1.00 0.00 N ATOM 451 CA ILE A 33 5.856 3.079 -6.054 1.00 0.00 C ATOM 452 C ILE A 33 6.590 3.036 -7.389 1.00 0.00 C ATOM 453 O ILE A 33 6.328 3.844 -8.280 1.00 0.00 O ATOM 454 CB ILE A 33 4.337 3.027 -6.313 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.566 3.227 -5.007 1.00 0.00 C ATOM 456 CG2 ILE A 33 3.954 1.706 -6.963 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.140 3.691 -5.211 1.00 0.00 C ATOM 0 H ILE A 33 5.501 4.980 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 33 6.144 2.214 -5.456 1.00 0.00 H new ATOM 0 HB ILE A 33 4.074 3.835 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.558 2.289 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.092 3.957 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.879 1.685 -7.139 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.479 1.602 -7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.229 0.883 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.655 3.812 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.140 4.645 -5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.597 2.951 -5.799 1.00 0.00 H new ATOM 469 N ALA A 34 7.513 2.089 -7.521 1.00 0.00 N ATOM 470 CA ALA A 34 8.287 1.940 -8.747 1.00 0.00 C ATOM 471 C ALA A 34 9.069 3.212 -9.062 1.00 0.00 C ATOM 472 O ALA A 34 9.356 3.504 -10.223 1.00 0.00 O ATOM 473 CB ALA A 34 7.372 1.581 -9.908 1.00 0.00 C ATOM 0 H ALA A 34 7.743 1.413 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 34 9.003 1.132 -8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.963 1.473 -10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.862 0.642 -9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.634 2.371 -10.047 1.00 0.00 H new ATOM 479 N GLY A 35 9.410 3.965 -8.021 1.00 0.00 N ATOM 480 CA GLY A 35 10.155 5.197 -8.209 1.00 0.00 C ATOM 481 C GLY A 35 9.461 6.161 -9.151 1.00 0.00 C ATOM 482 O GLY A 35 10.113 6.973 -9.808 1.00 0.00 O ATOM 0 H GLY A 35 9.184 3.744 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.300 5.680 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.145 4.962 -8.600 1.00 0.00 H new ATOM 486 N GLN A 36 8.137 6.071 -9.218 1.00 0.00 N ATOM 487 CA GLN A 36 7.355 6.942 -10.088 1.00 0.00 C ATOM 488 C GLN A 36 6.272 7.671 -9.299 1.00 0.00 C ATOM 489 O GLN A 36 6.188 8.898 -9.330 1.00 0.00 O ATOM 490 CB GLN A 36 6.719 6.131 -11.218 1.00 0.00 C ATOM 491 CG GLN A 36 7.654 5.885 -12.391 1.00 0.00 C ATOM 492 CD GLN A 36 8.216 7.169 -12.968 1.00 0.00 C ATOM 493 OE1 GLN A 36 9.188 7.722 -12.453 1.00 0.00 O ATOM 494 NE2 GLN A 36 7.605 7.650 -14.045 1.00 0.00 N ATOM 0 H GLN A 36 7.583 5.404 -8.681 1.00 0.00 H new ATOM 0 HA GLN A 36 8.029 7.684 -10.516 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.386 5.172 -10.822 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.832 6.654 -11.575 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.476 5.246 -12.068 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.118 5.345 -13.171 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.803 7.158 -14.438 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.938 8.511 -14.479 1.00 0.00 H new ATOM 503 N LYS A 37 5.446 6.907 -8.591 1.00 0.00 N ATOM 504 CA LYS A 37 4.369 7.481 -7.794 1.00 0.00 C ATOM 505 C LYS A 37 4.796 7.646 -6.340 1.00 0.00 C ATOM 506 O LYS A 37 5.179 6.679 -5.681 1.00 0.00 O ATOM 507 CB LYS A 37 3.122 6.599 -7.875 1.00 0.00 C ATOM 508 CG LYS A 37 2.390 6.701 -9.204 1.00 0.00 C ATOM 509 CD LYS A 37 0.905 6.962 -9.009 1.00 0.00 C ATOM 510 CE LYS A 37 0.179 7.074 -10.339 1.00 0.00 C ATOM 511 NZ LYS A 37 0.230 8.457 -10.886 1.00 0.00 N ATOM 0 H LYS A 37 5.502 5.889 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 37 4.136 8.466 -8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.410 5.561 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.439 6.875 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.826 7.504 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.526 5.777 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.467 6.155 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.768 7.882 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.625 6.384 -11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.861 6.773 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.704 8.716 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.495 9.120 -10.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.935 8.503 -11.649 1.00 0.00 H new ATOM 525 N VAL A 38 4.728 8.877 -5.844 1.00 0.00 N ATOM 526 CA VAL A 38 5.107 9.170 -4.467 1.00 0.00 C ATOM 527 C VAL A 38 3.930 8.971 -3.519 1.00 0.00 C ATOM 528 O VAL A 38 2.815 9.415 -3.796 1.00 0.00 O ATOM 529 CB VAL A 38 5.630 10.610 -4.322 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.207 10.833 -2.932 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.668 10.912 -5.392 1.00 0.00 C ATOM 0 H VAL A 38 4.414 9.688 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 38 5.904 8.474 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 38 4.793 11.295 -4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.572 11.857 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.432 10.662 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.031 10.140 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.026 11.935 -5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.505 10.221 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.218 10.797 -6.378 1.00 0.00 H new ATOM 541 N GLY A 39 4.184 8.301 -2.400 1.00 0.00 N ATOM 542 CA GLY A 39 3.136 8.055 -1.428 1.00 0.00 C ATOM 543 C GLY A 39 3.683 7.782 -0.041 1.00 0.00 C ATOM 544 O GLY A 39 4.894 7.650 0.141 1.00 0.00 O ATOM 0 H GLY A 39 5.098 7.924 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.471 8.918 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.536 7.205 -1.752 1.00 0.00 H new ATOM 548 N THR A 40 2.791 7.701 0.941 1.00 0.00 N ATOM 549 CA THR A 40 3.192 7.444 2.319 1.00 0.00 C ATOM 550 C THR A 40 2.917 5.993 2.704 1.00 0.00 C ATOM 551 O THR A 40 1.774 5.536 2.662 1.00 0.00 O ATOM 552 CB THR A 40 2.454 8.386 3.272 1.00 0.00 C ATOM 553 OG1 THR A 40 2.005 9.541 2.585 1.00 0.00 O ATOM 554 CG2 THR A 40 3.304 8.845 4.436 1.00 0.00 C ATOM 0 H THR A 40 1.786 7.810 0.808 1.00 0.00 H new ATOM 0 HA THR A 40 4.264 7.625 2.399 1.00 0.00 H new ATOM 0 HB THR A 40 1.617 7.807 3.661 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.534 10.131 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.721 9.510 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.627 7.979 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.178 9.377 4.061 1.00 0.00 H new ATOM 562 N LEU A 41 3.970 5.276 3.079 1.00 0.00 N ATOM 563 CA LEU A 41 3.843 3.878 3.471 1.00 0.00 C ATOM 564 C LEU A 41 3.023 3.745 4.751 1.00 0.00 C ATOM 565 O LEU A 41 3.431 4.213 5.813 1.00 0.00 O ATOM 566 CB LEU A 41 5.226 3.255 3.671 1.00 0.00 C ATOM 567 CG LEU A 41 5.219 1.799 4.138 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.892 0.868 2.981 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.560 1.432 4.757 1.00 0.00 C ATOM 0 H LEU A 41 4.922 5.640 3.120 1.00 0.00 H new ATOM 0 HA LEU A 41 3.325 3.348 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.775 3.316 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.774 3.852 4.400 1.00 0.00 H new ATOM 0 HG LEU A 41 4.446 1.685 4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.892 -0.164 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.908 1.115 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.641 0.984 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.538 0.392 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.350 1.563 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.754 2.078 5.614 1.00 0.00 H new ATOM 581 N ARG A 42 1.864 3.103 4.642 1.00 0.00 N ATOM 582 CA ARG A 42 0.987 2.908 5.790 1.00 0.00 C ATOM 583 C ARG A 42 0.911 1.433 6.172 1.00 0.00 C ATOM 584 O ARG A 42 0.870 1.089 7.354 1.00 0.00 O ATOM 585 CB ARG A 42 -0.415 3.439 5.483 1.00 0.00 C ATOM 586 CG ARG A 42 -0.417 4.823 4.857 1.00 0.00 C ATOM 587 CD ARG A 42 0.328 5.828 5.723 1.00 0.00 C ATOM 588 NE ARG A 42 -0.357 7.118 5.777 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.412 7.365 6.550 1.00 0.00 C ATOM 590 NH1 ARG A 42 -1.907 6.414 7.333 1.00 0.00 N ATOM 591 NH2 ARG A 42 -1.974 8.565 6.539 1.00 0.00 N ATOM 0 H ARG A 42 1.511 2.709 3.770 1.00 0.00 H new ATOM 0 HA ARG A 42 1.403 3.462 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.918 2.744 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.995 3.466 6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.045 4.778 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.445 5.157 4.713 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.432 5.430 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.335 5.968 5.331 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.006 7.873 5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.479 5.488 7.344 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.716 6.609 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.598 9.299 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.783 8.755 7.131 1.00 0.00 H new ATOM 605 N PHE A 43 0.895 0.566 5.166 1.00 0.00 N ATOM 606 CA PHE A 43 0.825 -0.872 5.397 1.00 0.00 C ATOM 607 C PHE A 43 1.884 -1.607 4.582 1.00 0.00 C ATOM 608 O PHE A 43 2.367 -1.097 3.571 1.00 0.00 O ATOM 609 CB PHE A 43 -0.566 -1.400 5.041 1.00 0.00 C ATOM 610 CG PHE A 43 -0.745 -2.863 5.330 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.370 -3.817 4.398 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.287 -3.284 6.534 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.534 -5.164 4.661 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.454 -4.629 6.803 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.076 -5.570 5.865 1.00 0.00 C ATOM 0 H PHE A 43 0.930 0.834 4.182 1.00 0.00 H new ATOM 0 HA PHE A 43 1.016 -1.054 6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.314 -0.834 5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.753 -1.222 3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.055 -3.505 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.582 -2.552 7.271 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.239 -5.898 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.879 -4.944 7.745 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.204 -6.622 6.073 1.00 0.00 H new ATOM 625 N CYS A 44 2.242 -2.807 5.029 1.00 0.00 N ATOM 626 CA CYS A 44 3.243 -3.612 4.341 1.00 0.00 C ATOM 627 C CYS A 44 3.033 -5.096 4.619 1.00 0.00 C ATOM 628 O CYS A 44 2.862 -5.505 5.768 1.00 0.00 O ATOM 629 CB CYS A 44 4.649 -3.193 4.775 1.00 0.00 C ATOM 630 SG CYS A 44 4.877 -3.121 6.568 1.00 0.00 S ATOM 0 H CYS A 44 1.853 -3.243 5.865 1.00 0.00 H new ATOM 0 HA CYS A 44 3.135 -3.444 3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.371 -3.893 4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.872 -2.214 4.351 1.00 0.00 H new ATOM 0 HG CYS A 44 4.202 -4.080 7.130 1.00 0.00 H new ATOM 636 N GLY A 45 3.048 -5.899 3.560 1.00 0.00 N ATOM 637 CA GLY A 45 2.858 -7.330 3.712 1.00 0.00 C ATOM 638 C GLY A 45 2.177 -7.954 2.510 1.00 0.00 C ATOM 639 O GLY A 45 2.546 -7.684 1.368 1.00 0.00 O ATOM 0 H GLY A 45 3.188 -5.585 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.825 -7.808 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.262 -7.522 4.604 1.00 0.00 H new ATOM 643 N THR A 46 1.179 -8.794 2.769 1.00 0.00 N ATOM 644 CA THR A 46 0.444 -9.461 1.699 1.00 0.00 C ATOM 645 C THR A 46 -1.019 -9.031 1.696 1.00 0.00 C ATOM 646 O THR A 46 -1.574 -8.671 2.733 1.00 0.00 O ATOM 647 CB THR A 46 0.540 -10.979 1.857 1.00 0.00 C ATOM 648 OG1 THR A 46 0.272 -11.363 3.194 1.00 0.00 O ATOM 649 CG2 THR A 46 1.897 -11.535 1.483 1.00 0.00 C ATOM 0 H THR A 46 0.861 -9.029 3.709 1.00 0.00 H new ATOM 0 HA THR A 46 0.892 -9.172 0.748 1.00 0.00 H new ATOM 0 HB THR A 46 -0.204 -11.388 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.337 -12.338 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.897 -12.617 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.112 -11.299 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.661 -11.090 2.121 1.00 0.00 H new ATOM 657 N THR A 47 -1.639 -9.072 0.520 1.00 0.00 N ATOM 658 CA THR A 47 -3.038 -8.687 0.380 1.00 0.00 C ATOM 659 C THR A 47 -3.911 -9.904 0.094 1.00 0.00 C ATOM 660 O THR A 47 -3.420 -11.032 0.035 1.00 0.00 O ATOM 661 CB THR A 47 -3.197 -7.657 -0.740 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.735 -8.182 -1.972 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.445 -6.369 -0.480 1.00 0.00 C ATOM 0 H THR A 47 -1.194 -9.368 -0.349 1.00 0.00 H new ATOM 0 HA THR A 47 -3.362 -8.242 1.321 1.00 0.00 H new ATOM 0 HB THR A 47 -4.263 -7.435 -0.779 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.545 -9.138 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.600 -5.683 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.812 -5.913 0.440 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.381 -6.583 -0.380 1.00 0.00 H new ATOM 671 N GLU A 48 -5.206 -9.669 -0.085 1.00 0.00 N ATOM 672 CA GLU A 48 -6.147 -10.748 -0.365 1.00 0.00 C ATOM 673 C GLU A 48 -6.606 -10.705 -1.819 1.00 0.00 C ATOM 674 O GLU A 48 -6.892 -11.740 -2.422 1.00 0.00 O ATOM 675 CB GLU A 48 -7.355 -10.655 0.567 1.00 0.00 C ATOM 676 CG GLU A 48 -7.077 -11.152 1.976 1.00 0.00 C ATOM 677 CD GLU A 48 -7.553 -12.575 2.196 1.00 0.00 C ATOM 678 OE1 GLU A 48 -8.781 -12.783 2.288 1.00 0.00 O ATOM 679 OE2 GLU A 48 -6.697 -13.482 2.277 1.00 0.00 O ATOM 0 H GLU A 48 -5.628 -8.742 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.637 -11.696 -0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.687 -9.618 0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.176 -11.233 0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.006 -11.096 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.567 -10.494 2.693 1.00 0.00 H new ATOM 686 N PHE A 49 -6.675 -9.500 -2.377 1.00 0.00 N ATOM 687 CA PHE A 49 -7.100 -9.323 -3.761 1.00 0.00 C ATOM 688 C PHE A 49 -6.018 -9.796 -4.727 1.00 0.00 C ATOM 689 O PHE A 49 -6.315 -10.278 -5.819 1.00 0.00 O ATOM 690 CB PHE A 49 -7.433 -7.854 -4.029 1.00 0.00 C ATOM 691 CG PHE A 49 -6.314 -6.913 -3.684 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.305 -6.652 -4.596 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.274 -6.287 -2.447 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.274 -5.787 -4.282 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.247 -5.420 -2.128 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.246 -5.170 -3.046 1.00 0.00 C ATOM 0 H PHE A 49 -6.442 -8.633 -1.893 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.993 -9.926 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.687 -7.734 -5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.318 -7.580 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.324 -7.130 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.054 -6.479 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.492 -5.594 -5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.227 -4.938 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.442 -4.493 -2.798 1.00 0.00 H new ATOM 706 N ALA A 50 -4.762 -9.654 -4.315 1.00 0.00 N ATOM 707 CA ALA A 50 -3.636 -10.066 -5.143 1.00 0.00 C ATOM 708 C ALA A 50 -2.575 -10.779 -4.311 1.00 0.00 C ATOM 709 O ALA A 50 -2.099 -10.248 -3.307 1.00 0.00 O ATOM 710 CB ALA A 50 -3.033 -8.863 -5.851 1.00 0.00 C ATOM 0 H ALA A 50 -4.499 -9.257 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.005 -10.767 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.193 -9.186 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.788 -8.397 -6.484 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.685 -8.142 -5.111 1.00 0.00 H new ATOM 716 N SER A 51 -2.209 -11.984 -4.734 1.00 0.00 N ATOM 717 CA SER A 51 -1.204 -12.770 -4.028 1.00 0.00 C ATOM 718 C SER A 51 0.191 -12.192 -4.246 1.00 0.00 C ATOM 719 O SER A 51 0.465 -11.581 -5.279 1.00 0.00 O ATOM 720 CB SER A 51 -1.245 -14.227 -4.493 1.00 0.00 C ATOM 721 OG SER A 51 -0.979 -15.113 -3.418 1.00 0.00 O ATOM 0 H SER A 51 -2.593 -12.438 -5.563 1.00 0.00 H new ATOM 0 HA SER A 51 -1.431 -12.731 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.224 -14.449 -4.918 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.512 -14.380 -5.285 1.00 0.00 H new ATOM 0 HG SER A 51 -1.013 -16.038 -3.740 1.00 0.00 H new ATOM 727 N GLY A 52 1.067 -12.390 -3.267 1.00 0.00 N ATOM 728 CA GLY A 52 2.423 -11.882 -3.372 1.00 0.00 C ATOM 729 C GLY A 52 2.720 -10.807 -2.345 1.00 0.00 C ATOM 730 O GLY A 52 1.891 -10.517 -1.482 1.00 0.00 O ATOM 0 H GLY A 52 0.863 -12.893 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.127 -12.705 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.580 -11.478 -4.372 1.00 0.00 H new ATOM 734 N GLN A 53 3.906 -10.214 -2.438 1.00 0.00 N ATOM 735 CA GLN A 53 4.311 -9.164 -1.510 1.00 0.00 C ATOM 736 C GLN A 53 3.780 -7.807 -1.960 1.00 0.00 C ATOM 737 O GLN A 53 4.179 -7.286 -3.001 1.00 0.00 O ATOM 738 CB GLN A 53 5.837 -9.119 -1.394 1.00 0.00 C ATOM 739 CG GLN A 53 6.345 -9.366 0.017 1.00 0.00 C ATOM 740 CD GLN A 53 6.158 -10.803 0.462 1.00 0.00 C ATOM 741 OE1 GLN A 53 6.911 -11.692 0.065 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.148 -11.038 1.291 1.00 0.00 N ATOM 0 H GLN A 53 4.603 -10.443 -3.146 1.00 0.00 H new ATOM 0 HA GLN A 53 3.887 -9.392 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.266 -9.865 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.191 -8.146 -1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.403 -9.109 0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.822 -8.705 0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.548 -10.271 1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.972 -11.986 1.624 1.00 0.00 H new ATOM 751 N TRP A 54 2.877 -7.238 -1.167 1.00 0.00 N ATOM 752 CA TRP A 54 2.291 -5.940 -1.481 1.00 0.00 C ATOM 753 C TRP A 54 2.451 -4.972 -0.314 1.00 0.00 C ATOM 754 O TRP A 54 3.015 -5.324 0.723 1.00 0.00 O ATOM 755 CB TRP A 54 0.809 -6.097 -1.829 1.00 0.00 C ATOM 756 CG TRP A 54 0.573 -6.859 -3.098 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.511 -8.214 -3.240 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.369 -6.308 -4.404 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.280 -8.541 -4.554 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.189 -7.388 -5.288 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.320 -5.006 -4.911 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.036 -7.205 -6.651 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.097 -4.826 -6.263 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.080 -5.920 -7.119 1.00 0.00 C ATOM 0 H TRP A 54 2.535 -7.656 -0.302 1.00 0.00 H new ATOM 0 HA TRP A 54 2.819 -5.531 -2.342 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.303 -6.606 -1.009 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.358 -5.109 -1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.627 -8.926 -2.436 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.191 -9.488 -4.923 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.454 -4.156 -4.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.171 -8.047 -7.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.059 -3.825 -6.666 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.255 -5.746 -8.170 1.00 0.00 H new ATOM 775 N ALA A 55 1.951 -3.753 -0.488 1.00 0.00 N ATOM 776 CA ALA A 55 2.039 -2.735 0.552 1.00 0.00 C ATOM 777 C ALA A 55 0.994 -1.645 0.342 1.00 0.00 C ATOM 778 O ALA A 55 0.694 -1.268 -0.791 1.00 0.00 O ATOM 779 CB ALA A 55 3.435 -2.133 0.582 1.00 0.00 C ATOM 0 H ALA A 55 1.481 -3.446 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 55 1.840 -3.211 1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.487 -1.374 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.165 -2.916 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.655 -1.676 -0.383 1.00 0.00 H new ATOM 785 N GLY A 56 0.445 -1.140 1.442 1.00 0.00 N ATOM 786 CA GLY A 56 -0.560 -0.097 1.357 1.00 0.00 C ATOM 787 C GLY A 56 0.028 1.290 1.531 1.00 0.00 C ATOM 788 O GLY A 56 0.518 1.633 2.608 1.00 0.00 O ATOM 0 H GLY A 56 0.678 -1.434 2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.061 -0.157 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.319 -0.265 2.121 1.00 0.00 H new ATOM 792 N ILE A 57 -0.021 2.090 0.470 1.00 0.00 N ATOM 793 CA ILE A 57 0.512 3.446 0.511 1.00 0.00 C ATOM 794 C ILE A 57 -0.539 4.462 0.077 1.00 0.00 C ATOM 795 O ILE A 57 -1.293 4.226 -0.868 1.00 0.00 O ATOM 796 CB ILE A 57 1.752 3.591 -0.392 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.737 2.450 -0.132 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.421 4.938 -0.161 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.801 2.317 -1.199 1.00 0.00 C ATOM 0 H ILE A 57 -0.424 1.822 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 57 0.800 3.641 1.544 1.00 0.00 H new ATOM 0 HB ILE A 57 1.432 3.539 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.219 2.609 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.185 1.513 -0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.295 5.025 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.718 5.738 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.730 5.017 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.464 1.489 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.328 2.127 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.378 3.240 -1.254 1.00 0.00 H new ATOM 811 N GLU A 58 -0.585 5.594 0.772 1.00 0.00 N ATOM 812 CA GLU A 58 -1.544 6.647 0.457 1.00 0.00 C ATOM 813 C GLU A 58 -0.886 7.756 -0.357 1.00 0.00 C ATOM 814 O GLU A 58 0.161 8.281 0.022 1.00 0.00 O ATOM 815 CB GLU A 58 -2.137 7.225 1.743 1.00 0.00 C ATOM 816 CG GLU A 58 -3.528 7.810 1.562 1.00 0.00 C ATOM 817 CD GLU A 58 -3.777 9.011 2.452 1.00 0.00 C ATOM 818 OE1 GLU A 58 -3.160 10.069 2.207 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.588 8.894 3.394 1.00 0.00 O ATOM 0 H GLU A 58 0.031 5.806 1.557 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.344 6.210 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.177 6.441 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.472 8.001 2.123 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.663 8.101 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.271 7.043 1.778 1.00 0.00 H new ATOM 826 N LEU A 59 -1.509 8.109 -1.478 1.00 0.00 N ATOM 827 CA LEU A 59 -0.983 9.157 -2.346 1.00 0.00 C ATOM 828 C LEU A 59 -1.350 10.538 -1.813 1.00 0.00 C ATOM 829 O LEU A 59 -2.443 10.742 -1.284 1.00 0.00 O ATOM 830 CB LEU A 59 -1.521 8.986 -3.767 1.00 0.00 C ATOM 831 CG LEU A 59 -0.993 7.761 -4.516 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.006 7.290 -5.548 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.339 8.077 -5.180 1.00 0.00 C ATOM 0 H LEU A 59 -2.377 7.685 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 59 0.103 9.071 -2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.608 8.925 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.275 9.879 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.837 6.957 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.614 6.418 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.938 7.025 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.193 8.089 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.700 7.195 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.208 8.895 -5.888 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.065 8.367 -4.420 1.00 0.00 H new ATOM 845 N ASP A 60 -0.428 11.485 -1.957 1.00 0.00 N ATOM 846 CA ASP A 60 -0.654 12.848 -1.491 1.00 0.00 C ATOM 847 C ASP A 60 -1.724 13.540 -2.328 1.00 0.00 C ATOM 848 O ASP A 60 -2.461 14.393 -1.832 1.00 0.00 O ATOM 849 CB ASP A 60 0.649 13.649 -1.544 1.00 0.00 C ATOM 850 CG ASP A 60 0.812 14.567 -0.348 1.00 0.00 C ATOM 851 OD1 ASP A 60 0.438 14.157 0.770 1.00 0.00 O ATOM 852 OD2 ASP A 60 1.314 15.697 -0.531 1.00 0.00 O ATOM 0 H ASP A 60 0.482 11.333 -2.392 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.002 12.799 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.494 12.961 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.671 14.241 -2.459 1.00 0.00 H new ATOM 857 N GLU A 61 -1.805 13.167 -3.602 1.00 0.00 N ATOM 858 CA GLU A 61 -2.786 13.752 -4.508 1.00 0.00 C ATOM 859 C GLU A 61 -3.700 12.675 -5.090 1.00 0.00 C ATOM 860 O GLU A 61 -3.323 11.506 -5.172 1.00 0.00 O ATOM 861 CB GLU A 61 -2.082 14.504 -5.639 1.00 0.00 C ATOM 862 CG GLU A 61 -1.205 15.648 -5.154 1.00 0.00 C ATOM 863 CD GLU A 61 -0.466 16.335 -6.284 1.00 0.00 C ATOM 864 OE1 GLU A 61 -1.135 16.853 -7.203 1.00 0.00 O ATOM 865 OE2 GLU A 61 0.783 16.353 -6.252 1.00 0.00 O ATOM 0 H GLU A 61 -1.203 12.463 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.396 14.453 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.470 13.802 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.832 14.898 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.823 16.378 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.483 15.267 -4.432 1.00 0.00 H new ATOM 872 N PRO A 62 -4.920 13.059 -5.504 1.00 0.00 N ATOM 873 CA PRO A 62 -5.889 12.120 -6.081 1.00 0.00 C ATOM 874 C PRO A 62 -5.305 11.325 -7.243 1.00 0.00 C ATOM 875 O PRO A 62 -5.327 11.775 -8.389 1.00 0.00 O ATOM 876 CB PRO A 62 -7.020 13.028 -6.571 1.00 0.00 C ATOM 877 CG PRO A 62 -6.915 14.253 -5.730 1.00 0.00 C ATOM 878 CD PRO A 62 -5.450 14.433 -5.444 1.00 0.00 C ATOM 0 HA PRO A 62 -6.209 11.372 -5.356 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.908 13.264 -7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.992 12.549 -6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.321 15.120 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.482 14.142 -4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.973 15.080 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.284 14.886 -4.466 1.00 0.00 H new ATOM 886 N GLU A 63 -4.783 10.141 -6.940 1.00 0.00 N ATOM 887 CA GLU A 63 -4.191 9.282 -7.960 1.00 0.00 C ATOM 888 C GLU A 63 -4.234 7.818 -7.532 1.00 0.00 C ATOM 889 O GLU A 63 -3.374 7.025 -7.912 1.00 0.00 O ATOM 890 CB GLU A 63 -2.747 9.705 -8.238 1.00 0.00 C ATOM 891 CG GLU A 63 -2.603 10.630 -9.436 1.00 0.00 C ATOM 892 CD GLU A 63 -2.807 9.912 -10.754 1.00 0.00 C ATOM 893 OE1 GLU A 63 -3.824 9.200 -10.892 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.950 10.061 -11.652 1.00 0.00 O ATOM 0 H GLU A 63 -4.758 9.754 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.775 9.390 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.347 10.203 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.142 8.814 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.326 11.441 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.612 11.084 -9.423 1.00 0.00 H new ATOM 901 N GLY A 64 -5.242 7.467 -6.739 1.00 0.00 N ATOM 902 CA GLY A 64 -5.378 6.100 -6.273 1.00 0.00 C ATOM 903 C GLY A 64 -6.691 5.471 -6.695 1.00 0.00 C ATOM 904 O GLY A 64 -7.657 6.174 -6.993 1.00 0.00 O ATOM 0 H GLY A 64 -5.967 8.105 -6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.552 5.504 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.302 6.081 -5.186 1.00 0.00 H new ATOM 908 N LYS A 65 -6.728 4.142 -6.719 1.00 0.00 N ATOM 909 CA LYS A 65 -7.932 3.417 -7.108 1.00 0.00 C ATOM 910 C LYS A 65 -8.510 2.647 -5.925 1.00 0.00 C ATOM 911 O LYS A 65 -9.131 1.599 -6.099 1.00 0.00 O ATOM 912 CB LYS A 65 -7.625 2.455 -8.257 1.00 0.00 C ATOM 913 CG LYS A 65 -7.487 3.142 -9.605 1.00 0.00 C ATOM 914 CD LYS A 65 -6.787 2.248 -10.617 1.00 0.00 C ATOM 915 CE LYS A 65 -5.317 2.610 -10.756 1.00 0.00 C ATOM 916 NZ LYS A 65 -4.494 1.441 -11.175 1.00 0.00 N ATOM 0 H LYS A 65 -5.938 3.546 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.672 4.145 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.702 1.920 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.418 1.710 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.474 3.413 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.925 4.069 -9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.879 1.206 -10.309 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.278 2.339 -11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.208 3.411 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.946 2.993 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.498 1.729 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.577 0.686 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.831 1.091 -12.094 1.00 0.00 H new ATOM 930 N ASN A 66 -8.301 3.174 -4.723 1.00 0.00 N ATOM 931 CA ASN A 66 -8.803 2.534 -3.511 1.00 0.00 C ATOM 932 C ASN A 66 -9.011 3.560 -2.402 1.00 0.00 C ATOM 933 O ASN A 66 -8.482 4.670 -2.461 1.00 0.00 O ATOM 934 CB ASN A 66 -7.831 1.449 -3.044 1.00 0.00 C ATOM 935 CG ASN A 66 -7.887 0.209 -3.915 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.767 -0.637 -3.755 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.944 0.095 -4.843 1.00 0.00 N ATOM 0 H ASN A 66 -7.788 4.041 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.765 2.075 -3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.816 1.847 -3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.062 1.177 -2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.930 -0.718 -5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.234 0.821 -4.940 1.00 0.00 H new ATOM 944 N ASN A 67 -9.784 3.179 -1.390 1.00 0.00 N ATOM 945 CA ASN A 67 -10.063 4.066 -0.265 1.00 0.00 C ATOM 946 C ASN A 67 -9.457 3.516 1.023 1.00 0.00 C ATOM 947 O ASN A 67 -10.014 3.693 2.107 1.00 0.00 O ATOM 948 CB ASN A 67 -11.572 4.249 -0.096 1.00 0.00 C ATOM 949 CG ASN A 67 -12.290 2.937 0.148 1.00 0.00 C ATOM 950 OD1 ASN A 67 -12.481 2.162 -0.913 1.00 0.00 O flip ATOM 951 ND2 ASN A 67 -12.669 2.623 1.276 1.00 0.00 N flip ATOM 0 H ASN A 67 -10.228 2.263 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.608 5.034 -0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.762 4.924 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.980 4.723 -0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.501 3.249 2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.151 1.736 1.424 1.00 0.00 H new ATOM 958 N GLY A 68 -8.314 2.851 0.896 1.00 0.00 N ATOM 959 CA GLY A 68 -7.653 2.287 2.058 1.00 0.00 C ATOM 960 C GLY A 68 -7.980 0.820 2.257 1.00 0.00 C ATOM 961 O GLY A 68 -7.167 0.063 2.789 1.00 0.00 O ATOM 0 H GLY A 68 -7.834 2.693 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.575 2.404 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.948 2.845 2.946 1.00 0.00 H new ATOM 965 N SER A 69 -9.173 0.418 1.832 1.00 0.00 N ATOM 966 CA SER A 69 -9.606 -0.968 1.967 1.00 0.00 C ATOM 967 C SER A 69 -10.128 -1.505 0.639 1.00 0.00 C ATOM 968 O SER A 69 -10.826 -0.807 -0.096 1.00 0.00 O ATOM 969 CB SER A 69 -10.692 -1.082 3.039 1.00 0.00 C ATOM 970 OG SER A 69 -11.701 -0.105 2.849 1.00 0.00 O ATOM 0 H SER A 69 -9.857 1.032 1.391 1.00 0.00 H new ATOM 0 HA SER A 69 -8.745 -1.565 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.135 -2.077 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.247 -0.962 4.027 1.00 0.00 H new ATOM 0 HG SER A 69 -12.384 -0.200 3.546 1.00 0.00 H new ATOM 976 N VAL A 70 -9.784 -2.754 0.336 1.00 0.00 N ATOM 977 CA VAL A 70 -10.217 -3.387 -0.904 1.00 0.00 C ATOM 978 C VAL A 70 -11.248 -4.477 -0.633 1.00 0.00 C ATOM 979 O VAL A 70 -10.919 -5.538 -0.103 1.00 0.00 O ATOM 980 CB VAL A 70 -9.029 -3.999 -1.668 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.466 -4.475 -3.045 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.891 -2.996 -1.779 1.00 0.00 C ATOM 0 H VAL A 70 -9.207 -3.347 0.933 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.669 -2.606 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.668 -4.862 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.612 -4.904 -3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.244 -5.231 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.855 -3.631 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.060 -3.447 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.237 -2.111 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.559 -2.710 -0.781 1.00 0.00 H new ATOM 992 N GLY A 71 -12.496 -4.209 -1.002 1.00 0.00 N ATOM 993 CA GLY A 71 -13.556 -5.177 -0.790 1.00 0.00 C ATOM 994 C GLY A 71 -13.883 -5.369 0.678 1.00 0.00 C ATOM 995 O GLY A 71 -14.324 -4.436 1.350 1.00 0.00 O ATOM 0 H GLY A 71 -12.792 -3.339 -1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.452 -4.851 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.261 -6.134 -1.221 1.00 0.00 H new ATOM 999 N ARG A 72 -13.667 -6.582 1.177 1.00 0.00 N ATOM 1000 CA ARG A 72 -13.941 -6.894 2.575 1.00 0.00 C ATOM 1001 C ARG A 72 -12.647 -6.974 3.379 1.00 0.00 C ATOM 1002 O ARG A 72 -12.559 -7.714 4.358 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.706 -8.213 2.684 1.00 0.00 C ATOM 1004 CG ARG A 72 -15.582 -8.308 3.922 1.00 0.00 C ATOM 1005 CD ARG A 72 -15.724 -9.745 4.396 1.00 0.00 C ATOM 1006 NE ARG A 72 -16.233 -10.622 3.344 1.00 0.00 N ATOM 1007 CZ ARG A 72 -16.281 -11.948 3.443 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -15.854 -12.555 4.543 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -16.759 -12.670 2.439 1.00 0.00 N ATOM 0 H ARG A 72 -13.303 -7.365 0.634 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.554 -6.092 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.329 -8.336 1.798 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.993 -9.037 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.153 -7.702 4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.568 -7.897 3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.756 -10.112 4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.397 -9.779 5.253 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.571 -10.192 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.486 -12.005 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.894 -13.572 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.090 -12.209 1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.796 -13.687 2.514 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.646 -6.207 2.959 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.358 -6.193 3.642 1.00 0.00 C ATOM 1025 C VAL A 73 -9.889 -4.764 3.900 1.00 0.00 C ATOM 1026 O VAL A 73 -9.892 -3.927 2.997 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.281 -6.934 2.828 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.011 -7.101 3.648 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.801 -8.284 2.358 1.00 0.00 C ATOM 0 H VAL A 73 -11.702 -5.588 2.150 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.500 -6.705 4.594 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.042 -6.336 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.262 -7.627 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.628 -6.120 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.232 -7.676 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.026 -8.793 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.071 -8.891 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.680 -8.137 1.730 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.488 -4.492 5.137 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.017 -3.164 5.514 1.00 0.00 C ATOM 1041 C GLN A 74 -7.523 -3.183 5.821 1.00 0.00 C ATOM 1042 O GLN A 74 -7.034 -4.071 6.519 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.793 -2.651 6.729 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.443 -1.223 7.114 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.333 -0.201 6.432 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.516 -0.448 6.200 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -9.765 0.954 6.108 1.00 0.00 N ATOM 0 H GLN A 74 -9.480 -5.173 5.896 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.188 -2.493 4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.861 -2.711 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.597 -3.306 7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.529 -1.110 8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.403 -1.025 6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.780 1.115 6.320 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.313 1.680 5.647 1.00 0.00 H new ATOM 1056 N TYR A 75 -6.804 -2.196 5.295 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.365 -2.098 5.513 1.00 0.00 C ATOM 1058 C TYR A 75 -5.010 -0.790 6.213 1.00 0.00 C ATOM 1059 O TYR A 75 -4.448 -0.794 7.308 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.619 -2.195 4.180 1.00 0.00 C ATOM 1061 CG TYR A 75 -4.936 -3.449 3.397 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.084 -3.534 2.621 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.087 -4.548 3.435 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.378 -4.678 1.903 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.373 -5.695 2.721 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.519 -5.755 1.957 1.00 0.00 C ATOM 1067 OH TYR A 75 -5.808 -6.896 1.243 1.00 0.00 O ATOM 0 H TYR A 75 -7.194 -1.453 4.715 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.061 -2.927 6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.866 -1.325 3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.546 -2.157 4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.759 -2.692 2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.189 -4.505 4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.275 -4.728 1.304 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.702 -6.541 2.761 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.018 -6.657 0.316 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.343 0.326 5.574 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.060 1.642 6.137 1.00 0.00 C ATOM 1079 C PHE A 76 -6.233 2.591 5.917 1.00 0.00 C ATOM 1080 O PHE A 76 -7.069 2.368 5.042 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.792 2.226 5.510 1.00 0.00 C ATOM 1082 CG PHE A 76 -3.907 2.465 4.031 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.915 1.401 3.143 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.007 3.752 3.530 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -4.020 1.617 1.782 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.112 3.975 2.170 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.120 2.906 1.295 1.00 0.00 C ATOM 0 H PHE A 76 -5.809 0.346 4.667 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.906 1.526 7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.553 3.168 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.959 1.548 5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.838 0.391 3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.003 4.591 4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.024 0.779 1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.188 4.984 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.204 3.078 0.232 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.289 3.651 6.716 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.361 4.634 6.609 1.00 0.00 C ATOM 1099 C LYS A 77 -6.952 5.789 5.701 1.00 0.00 C ATOM 1100 O LYS A 77 -5.836 6.301 5.796 1.00 0.00 O ATOM 1101 CB LYS A 77 -7.732 5.167 7.994 1.00 0.00 C ATOM 1102 CG LYS A 77 -8.142 4.080 8.974 1.00 0.00 C ATOM 1103 CD LYS A 77 -9.324 3.277 8.454 1.00 0.00 C ATOM 1104 CE LYS A 77 -10.183 2.748 9.591 1.00 0.00 C ATOM 1105 NZ LYS A 77 -10.654 1.359 9.331 1.00 0.00 N ATOM 0 H LYS A 77 -5.604 3.852 7.445 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.229 4.141 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.882 5.712 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.550 5.881 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.299 3.413 9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.401 4.531 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.931 3.903 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.962 2.443 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.611 2.770 10.519 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.043 3.403 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.236 1.035 10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.221 1.342 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.834 0.729 9.222 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.861 6.193 4.820 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.596 7.288 3.895 1.00 0.00 C ATOM 1121 C CYS A 78 -8.878 7.741 3.205 1.00 0.00 C ATOM 1122 O CYS A 78 -9.957 7.210 3.470 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.563 6.862 2.850 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.071 5.447 1.845 1.00 0.00 S ATOM 0 H CYS A 78 -8.788 5.778 4.727 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.199 8.126 4.468 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.358 7.706 2.192 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.629 6.618 3.356 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.085 4.605 1.752 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.754 8.724 2.319 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.904 9.247 1.593 1.00 0.00 C ATOM 1132 C ALA A 79 -10.106 8.506 0.273 1.00 0.00 C ATOM 1133 O ALA A 79 -9.203 7.824 -0.210 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.734 10.738 1.341 1.00 0.00 C ATOM 0 H ALA A 79 -7.868 9.174 2.087 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.791 9.090 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.600 11.116 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.647 11.260 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.833 10.907 0.751 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.303 8.627 -0.327 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.624 7.965 -1.595 1.00 0.00 C ATOM 1142 C PRO A 80 -10.734 8.443 -2.738 1.00 0.00 C ATOM 1143 O PRO A 80 -10.410 9.627 -2.834 1.00 0.00 O ATOM 1144 CB PRO A 80 -13.084 8.358 -1.858 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.608 8.820 -0.540 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.436 9.415 0.183 1.00 0.00 C ATOM 0 HA PRO A 80 -11.467 6.888 -1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.151 9.147 -2.607 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.658 7.512 -2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.401 9.556 -0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -14.034 7.990 0.024 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -12.322 10.476 -0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.539 9.323 1.264 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.344 7.514 -3.606 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.494 7.841 -4.746 1.00 0.00 C ATOM 1156 C LYS A 81 -8.165 8.435 -4.287 1.00 0.00 C ATOM 1157 O LYS A 81 -7.701 9.437 -4.830 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.210 8.821 -5.678 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.447 8.236 -6.340 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.142 7.728 -7.739 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.413 7.366 -8.491 1.00 0.00 C ATOM 1162 NZ LYS A 81 -13.316 6.509 -7.674 1.00 0.00 N ATOM 0 H LYS A 81 -10.603 6.530 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.288 6.918 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.496 9.707 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.515 9.149 -6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.835 7.419 -5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.228 8.995 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.595 8.491 -8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.494 6.854 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.938 8.278 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.154 6.845 -9.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.066 6.118 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.769 5.731 -7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.745 7.079 -6.917 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.557 7.807 -3.287 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.279 8.271 -2.757 1.00 0.00 C ATOM 1178 C TYR A 82 -5.369 7.094 -2.424 1.00 0.00 C ATOM 1179 O TYR A 82 -4.193 7.082 -2.788 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.500 9.129 -1.510 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.896 10.556 -1.817 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.989 11.442 -2.386 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.176 11.016 -1.537 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -6.349 12.747 -2.667 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.543 12.319 -1.817 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.626 13.180 -2.381 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.987 14.478 -2.660 1.00 0.00 O ATOM 0 H TYR A 82 -7.928 6.976 -2.827 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.795 8.876 -3.524 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.275 8.670 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.586 9.135 -0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.988 11.106 -2.612 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.896 10.345 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.633 13.424 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.543 12.661 -1.595 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.921 14.621 -2.399 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.922 6.105 -1.728 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.147 4.936 -1.356 1.00 0.00 C ATOM 1199 C GLY A 83 -4.851 4.037 -2.540 1.00 0.00 C ATOM 1200 O GLY A 83 -5.632 3.972 -3.489 1.00 0.00 O ATOM 0 H GLY A 83 -6.893 6.093 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.209 5.255 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.690 4.369 -0.600 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.719 3.341 -2.484 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.322 2.440 -3.558 1.00 0.00 C ATOM 1206 C ILE A 84 -2.435 1.316 -3.029 1.00 0.00 C ATOM 1207 O ILE A 84 -1.820 1.444 -1.972 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.574 3.196 -4.676 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.255 2.253 -5.839 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.299 3.826 -4.133 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -1.712 2.962 -7.060 1.00 0.00 C ATOM 0 H ILE A 84 -3.061 3.385 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.235 2.012 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.220 3.992 -5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.529 1.512 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.160 1.711 -6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.784 4.355 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.550 4.528 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.648 3.047 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.508 2.232 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.446 3.684 -7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.790 3.481 -6.799 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.377 0.216 -3.773 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.568 -0.931 -3.377 1.00 0.00 C ATOM 1225 C PHE A 85 -0.594 -1.318 -4.485 1.00 0.00 C ATOM 1226 O PHE A 85 -0.970 -1.408 -5.654 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.465 -2.120 -3.033 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.246 -1.936 -1.763 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.281 -1.016 -1.697 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -2.944 -2.682 -0.635 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.000 -0.844 -0.531 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.661 -2.513 0.536 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.689 -1.594 0.588 1.00 0.00 C ATOM 0 H PHE A 85 -2.880 0.095 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.994 -0.651 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.160 -2.290 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.850 -3.015 -2.945 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.528 -0.427 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.141 -3.403 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.804 -0.124 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.416 -3.100 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.250 -1.461 1.501 1.00 0.00 H new ATOM 1243 N ALA A 86 0.660 -1.549 -4.109 1.00 0.00 N ATOM 1244 CA ALA A 86 1.689 -1.929 -5.067 1.00 0.00 C ATOM 1245 C ALA A 86 2.645 -2.955 -4.466 1.00 0.00 C ATOM 1246 O ALA A 86 2.757 -3.070 -3.245 1.00 0.00 O ATOM 1247 CB ALA A 86 2.456 -0.701 -5.533 1.00 0.00 C ATOM 0 H ALA A 86 0.987 -1.479 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 86 1.199 -2.386 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.222 -1.000 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.769 -0.001 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.928 -0.220 -4.676 1.00 0.00 H new ATOM 1253 N PRO A 87 3.350 -3.719 -5.318 1.00 0.00 N ATOM 1254 CA PRO A 87 4.299 -4.741 -4.862 1.00 0.00 C ATOM 1255 C PRO A 87 5.366 -4.165 -3.936 1.00 0.00 C ATOM 1256 O PRO A 87 6.082 -3.236 -4.301 1.00 0.00 O ATOM 1257 CB PRO A 87 4.934 -5.251 -6.159 1.00 0.00 C ATOM 1258 CG PRO A 87 3.950 -4.919 -7.226 1.00 0.00 C ATOM 1259 CD PRO A 87 3.278 -3.649 -6.788 1.00 0.00 C ATOM 0 HA PRO A 87 3.807 -5.522 -4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.894 -4.770 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.119 -6.324 -6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.447 -4.786 -8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.224 -5.722 -7.351 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.791 -2.768 -7.175 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.247 -3.597 -7.139 1.00 0.00 H new ATOM 1267 N LEU A 88 5.462 -4.725 -2.730 1.00 0.00 N ATOM 1268 CA LEU A 88 6.440 -4.268 -1.749 1.00 0.00 C ATOM 1269 C LEU A 88 7.810 -4.140 -2.398 1.00 0.00 C ATOM 1270 O LEU A 88 8.495 -3.129 -2.246 1.00 0.00 O ATOM 1271 CB LEU A 88 6.507 -5.238 -0.567 1.00 0.00 C ATOM 1272 CG LEU A 88 7.314 -4.741 0.633 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.699 -3.471 1.201 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.398 -5.820 1.702 1.00 0.00 C ATOM 0 H LEU A 88 4.874 -5.495 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 88 6.130 -3.291 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.491 -5.456 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.939 -6.178 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 88 8.325 -4.511 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.287 -3.132 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.692 -2.696 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.677 -3.674 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.976 -5.449 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.394 -6.081 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.885 -6.704 1.290 1.00 0.00 H new ATOM 1286 N SER A 89 8.188 -5.174 -3.142 1.00 0.00 N ATOM 1287 CA SER A 89 9.461 -5.182 -3.843 1.00 0.00 C ATOM 1288 C SER A 89 9.565 -3.955 -4.741 1.00 0.00 C ATOM 1289 O SER A 89 10.662 -3.494 -5.056 1.00 0.00 O ATOM 1290 CB SER A 89 9.605 -6.458 -4.676 1.00 0.00 C ATOM 1291 OG SER A 89 10.309 -7.458 -3.960 1.00 0.00 O ATOM 0 H SER A 89 7.628 -6.017 -3.273 1.00 0.00 H new ATOM 0 HA SER A 89 10.266 -5.156 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.618 -6.830 -4.951 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.130 -6.233 -5.604 1.00 0.00 H new ATOM 0 HG SER A 89 10.386 -8.263 -4.513 1.00 0.00 H new ATOM 1297 N LYS A 90 8.409 -3.422 -5.134 1.00 0.00 N ATOM 1298 CA LYS A 90 8.368 -2.237 -5.977 1.00 0.00 C ATOM 1299 C LYS A 90 8.316 -0.972 -5.123 1.00 0.00 C ATOM 1300 O LYS A 90 8.547 0.131 -5.620 1.00 0.00 O ATOM 1301 CB LYS A 90 7.159 -2.285 -6.913 1.00 0.00 C ATOM 1302 CG LYS A 90 7.456 -2.929 -8.259 1.00 0.00 C ATOM 1303 CD LYS A 90 7.370 -1.921 -9.395 1.00 0.00 C ATOM 1304 CE LYS A 90 6.709 -2.523 -10.624 1.00 0.00 C ATOM 1305 NZ LYS A 90 7.710 -3.076 -11.579 1.00 0.00 N ATOM 0 H LYS A 90 7.493 -3.793 -4.881 1.00 0.00 H new ATOM 0 HA LYS A 90 9.277 -2.217 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.354 -2.836 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.797 -1.270 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.452 -3.371 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.751 -3.740 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.805 -1.049 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.371 -1.574 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.024 -3.314 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.112 -1.761 -11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.219 -3.477 -12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.348 -2.316 -11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.263 -3.821 -11.109 1.00 0.00 H new ATOM 1319 N ILE A 91 8.016 -1.136 -3.835 1.00 0.00 N ATOM 1320 CA ILE A 91 7.940 -0.001 -2.922 1.00 0.00 C ATOM 1321 C ILE A 91 9.326 0.390 -2.421 1.00 0.00 C ATOM 1322 O ILE A 91 10.008 -0.402 -1.769 1.00 0.00 O ATOM 1323 CB ILE A 91 7.034 -0.307 -1.713 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.666 -0.808 -2.182 1.00 0.00 C ATOM 1325 CG2 ILE A 91 6.877 0.929 -0.838 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.958 0.151 -3.114 1.00 0.00 C ATOM 0 H ILE A 91 7.823 -2.040 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 91 7.510 0.829 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 91 7.504 -1.092 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.792 -1.766 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.036 -0.987 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.234 0.695 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.855 1.245 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.429 1.733 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.995 -0.269 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.800 1.102 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 91 5.568 0.312 -4.003 1.00 0.00 H new ATOM 1338 N SER A 92 9.738 1.615 -2.729 1.00 0.00 N ATOM 1339 CA SER A 92 11.044 2.111 -2.309 1.00 0.00 C ATOM 1340 C SER A 92 10.907 3.410 -1.520 1.00 0.00 C ATOM 1341 O SER A 92 9.809 3.950 -1.384 1.00 0.00 O ATOM 1342 CB SER A 92 11.943 2.334 -3.526 1.00 0.00 C ATOM 1343 OG SER A 92 12.732 1.188 -3.795 1.00 0.00 O ATOM 0 H SER A 92 9.187 2.283 -3.268 1.00 0.00 H new ATOM 0 HA SER A 92 11.498 1.360 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.330 2.570 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.591 3.193 -3.351 1.00 0.00 H new ATOM 0 HG SER A 92 13.296 1.356 -4.578 1.00 0.00 H new ATOM 1349 N LYS A 93 12.026 3.905 -1.004 1.00 0.00 N ATOM 1350 CA LYS A 93 12.030 5.140 -0.229 1.00 0.00 C ATOM 1351 C LYS A 93 12.225 6.351 -1.136 1.00 0.00 C ATOM 1352 O LYS A 93 12.693 6.223 -2.268 1.00 0.00 O ATOM 1353 CB LYS A 93 13.133 5.099 0.830 1.00 0.00 C ATOM 1354 CG LYS A 93 12.770 5.823 2.116 1.00 0.00 C ATOM 1355 CD LYS A 93 13.779 5.543 3.217 1.00 0.00 C ATOM 1356 CE LYS A 93 13.247 5.961 4.579 1.00 0.00 C ATOM 1357 NZ LYS A 93 12.709 4.804 5.345 1.00 0.00 N ATOM 0 H LYS A 93 12.943 3.470 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 93 11.063 5.231 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.364 4.059 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.039 5.543 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.722 6.896 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.778 5.511 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.020 4.480 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.706 6.077 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.045 6.435 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.462 6.706 4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.466 5.109 6.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.857 4.440 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.427 4.053 5.390 1.00 0.00 H new ATOM 1371 N LEU A 94 11.863 7.526 -0.631 1.00 0.00 N ATOM 1372 CA LEU A 94 11.998 8.761 -1.395 1.00 0.00 C ATOM 1373 C LEU A 94 13.406 9.331 -1.265 1.00 0.00 C ATOM 1374 O LEU A 94 14.105 9.065 -0.287 1.00 0.00 O ATOM 1375 CB LEU A 94 10.971 9.791 -0.922 1.00 0.00 C ATOM 1376 CG LEU A 94 10.564 10.829 -1.970 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.043 10.144 -3.224 1.00 0.00 C ATOM 1378 CD2 LEU A 94 9.517 11.775 -1.402 1.00 0.00 C ATOM 0 H LEU A 94 11.474 7.649 0.304 1.00 0.00 H new ATOM 0 HA LEU A 94 11.816 8.532 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.077 9.264 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.375 10.312 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 94 11.444 11.412 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.758 10.897 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.823 9.507 -3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.174 9.536 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.238 12.507 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.636 11.206 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.926 12.290 -0.533 1.00 0.00 H new