USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 717 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 84 ASN : amide:sc= -7.31! C(o=-14!,f=-22!) USER MOD Set 1.2: A 88 HIS : no HD1:sc= -6.78! C(o=-14!,f=-18!) USER MOD Set 2.1: A 30 MET CE :methyl -163:sc= -0.0126 (180deg=-0.194) USER MOD Set 2.2: A 44 MET CE :methyl 153:sc= -0.598 (180deg=-0.636) USER MOD Single : A 16 THR OG1 : rot 40:sc= 0.669 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 160:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 46 ASN : amide:sc= -1.09! C(o=-1.1!,f=-1.1!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 63:sc= 0.81 USER MOD Single : A 58 LYS NZ :NH3+ -113:sc= 0.477 (180deg=-2.15) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -4.93! C(o=-8.9!,f=-4.9!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 13:sc= 0.231 USER MOD Single : A 86 SER OG : rot 28:sc= 0.00865 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -107:sc= 0.0211 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 172:sc= -0.595 (180deg=-0.821) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 16 -9.959 -2.191 -5.247 1.00 0.00 N ATOM 191 CA THR A 16 -10.770 -1.115 -4.691 1.00 0.00 C ATOM 192 C THR A 16 -11.651 -1.622 -3.554 1.00 0.00 C ATOM 193 O THR A 16 -12.725 -2.175 -3.788 1.00 0.00 O ATOM 194 CB THR A 16 -11.663 -0.471 -5.768 1.00 0.00 C ATOM 195 OG1 THR A 16 -12.468 -1.472 -6.401 1.00 0.00 O ATOM 196 CG2 THR A 16 -10.819 0.244 -6.813 1.00 0.00 C ATOM 0 HA THR A 16 -10.079 -0.365 -4.306 1.00 0.00 H new ATOM 0 HB THR A 16 -12.310 0.260 -5.283 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.789 -2.108 -5.728 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.471 0.691 -7.563 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.230 1.025 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.151 -0.471 -7.293 1.00 0.00 H new ATOM 204 N ILE A 17 -11.189 -1.428 -2.323 1.00 0.00 N ATOM 205 CA ILE A 17 -11.936 -1.864 -1.150 1.00 0.00 C ATOM 206 C ILE A 17 -12.117 -0.721 -0.158 1.00 0.00 C ATOM 207 O ILE A 17 -11.141 -0.161 0.345 1.00 0.00 O ATOM 208 CB ILE A 17 -11.236 -3.039 -0.441 1.00 0.00 C ATOM 209 CG1 ILE A 17 -11.119 -4.236 -1.386 1.00 0.00 C ATOM 210 CG2 ILE A 17 -11.995 -3.424 0.820 1.00 0.00 C ATOM 211 CD1 ILE A 17 -10.064 -5.236 -0.967 1.00 0.00 C ATOM 0 H ILE A 17 -10.301 -0.972 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.913 -2.194 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.232 -2.726 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.084 -4.740 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.889 -3.876 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.488 -4.255 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.031 -2.571 1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.010 -3.722 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.037 -6.058 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.090 -4.747 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.304 -5.625 0.023 1.00 0.00 H new ATOM 223 N ILE A 18 -13.370 -0.379 0.122 1.00 0.00 N ATOM 224 CA ILE A 18 -13.678 0.695 1.057 1.00 0.00 C ATOM 225 C ILE A 18 -13.876 0.155 2.469 1.00 0.00 C ATOM 226 O ILE A 18 -14.620 -0.804 2.680 1.00 0.00 O ATOM 227 CB ILE A 18 -14.942 1.466 0.632 1.00 0.00 C ATOM 228 CG1 ILE A 18 -14.777 2.018 -0.786 1.00 0.00 C ATOM 229 CG2 ILE A 18 -15.231 2.591 1.614 1.00 0.00 C ATOM 230 CD1 ILE A 18 -13.646 3.013 -0.919 1.00 0.00 C ATOM 0 H ILE A 18 -14.189 -0.831 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 18 -12.827 1.376 1.047 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.788 0.779 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.603 1.189 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -15.708 2.495 -1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.127 3.127 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.387 2.174 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.386 3.279 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.588 3.362 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.828 3.861 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.706 2.534 -0.644 1.00 0.00 H new ATOM 242 N LEU A 19 -13.208 0.778 3.434 1.00 0.00 N ATOM 243 CA LEU A 19 -13.312 0.362 4.828 1.00 0.00 C ATOM 244 C LEU A 19 -14.318 1.226 5.581 1.00 0.00 C ATOM 245 O LEU A 19 -14.313 2.453 5.486 1.00 0.00 O ATOM 246 CB LEU A 19 -11.944 0.442 5.508 1.00 0.00 C ATOM 247 CG LEU A 19 -11.699 -0.554 6.642 1.00 0.00 C ATOM 248 CD1 LEU A 19 -11.722 -1.980 6.114 1.00 0.00 C ATOM 249 CD2 LEU A 19 -10.375 -0.260 7.333 1.00 0.00 C ATOM 0 H LEU A 19 -12.589 1.573 3.276 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.661 -0.670 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.175 0.295 4.750 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.815 1.450 5.902 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.500 -0.447 7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.546 -2.675 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.694 -2.186 5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.943 -2.102 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.217 -0.978 8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.562 -0.339 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.396 0.748 7.746 1.00 0.00 H new ATOM 261 N PRO A 20 -15.202 0.572 6.350 1.00 0.00 N ATOM 262 CA PRO A 20 -16.229 1.261 7.137 1.00 0.00 C ATOM 263 C PRO A 20 -15.637 2.039 8.308 1.00 0.00 C ATOM 264 O PRO A 20 -14.420 2.086 8.481 1.00 0.00 O ATOM 265 CB PRO A 20 -17.112 0.119 7.646 1.00 0.00 C ATOM 266 CG PRO A 20 -16.218 -1.073 7.660 1.00 0.00 C ATOM 267 CD PRO A 20 -15.266 -0.890 6.511 1.00 0.00 C ATOM 0 HA PRO A 20 -16.766 2.002 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.502 0.333 8.641 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.971 -0.038 6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.680 -1.146 8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.792 -1.993 7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.286 -1.313 6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.629 -1.378 5.607 1.00 0.00 H new ATOM 275 N GLU A 21 -16.507 2.648 9.108 1.00 0.00 N ATOM 276 CA GLU A 21 -16.069 3.424 10.262 1.00 0.00 C ATOM 277 C GLU A 21 -15.976 2.544 11.506 1.00 0.00 C ATOM 278 O GLU A 21 -15.948 3.043 12.631 1.00 0.00 O ATOM 279 CB GLU A 21 -17.030 4.587 10.517 1.00 0.00 C ATOM 280 CG GLU A 21 -18.461 4.149 10.777 1.00 0.00 C ATOM 281 CD GLU A 21 -19.364 5.304 11.162 1.00 0.00 C ATOM 282 OE1 GLU A 21 -19.584 6.193 10.313 1.00 0.00 O ATOM 283 OE2 GLU A 21 -19.851 5.319 12.312 1.00 0.00 O ATOM 0 H GLU A 21 -17.518 2.619 8.978 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.078 3.822 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.674 5.161 11.373 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.014 5.255 9.656 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.857 3.665 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.470 3.405 11.573 1.00 0.00 H new ATOM 290 N ASP A 22 -15.930 1.234 11.294 1.00 0.00 N ATOM 291 CA ASP A 22 -15.840 0.284 12.396 1.00 0.00 C ATOM 292 C ASP A 22 -14.435 -0.303 12.495 1.00 0.00 C ATOM 293 O ASP A 22 -14.091 -0.953 13.482 1.00 0.00 O ATOM 294 CB ASP A 22 -16.864 -0.838 12.216 1.00 0.00 C ATOM 295 CG ASP A 22 -16.881 -1.800 13.388 1.00 0.00 C ATOM 296 OD1 ASP A 22 -17.148 -1.349 14.522 1.00 0.00 O ATOM 297 OD2 ASP A 22 -16.628 -3.003 13.171 1.00 0.00 O ATOM 0 H ASP A 22 -15.954 0.805 10.369 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.057 0.818 13.321 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.856 -0.404 12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -16.640 -1.388 11.302 1.00 0.00 H new ATOM 302 N ILE A 23 -13.629 -0.071 11.464 1.00 0.00 N ATOM 303 CA ILE A 23 -12.262 -0.577 11.435 1.00 0.00 C ATOM 304 C ILE A 23 -11.262 0.520 11.784 1.00 0.00 C ATOM 305 O ILE A 23 -11.461 1.685 11.442 1.00 0.00 O ATOM 306 CB ILE A 23 -11.907 -1.159 10.054 1.00 0.00 C ATOM 307 CG1 ILE A 23 -13.166 -1.679 9.357 1.00 0.00 C ATOM 308 CG2 ILE A 23 -10.877 -2.270 10.197 1.00 0.00 C ATOM 309 CD1 ILE A 23 -14.043 -2.529 10.248 1.00 0.00 C ATOM 0 H ILE A 23 -13.899 0.464 10.638 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.203 -1.370 12.181 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.476 -0.367 9.442 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.746 -0.831 8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.873 -2.264 8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.636 -2.672 9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.973 -1.871 10.657 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.283 -3.064 10.823 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.916 -2.862 9.688 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.480 -3.396 10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.366 -1.942 11.108 1.00 0.00 H new ATOM 321 N GLU A 24 -10.187 0.138 12.466 1.00 0.00 N ATOM 322 CA GLU A 24 -9.155 1.089 12.860 1.00 0.00 C ATOM 323 C GLU A 24 -7.971 1.037 11.899 1.00 0.00 C ATOM 324 O GLU A 24 -7.503 -0.041 11.530 1.00 0.00 O ATOM 325 CB GLU A 24 -8.682 0.801 14.287 1.00 0.00 C ATOM 326 CG GLU A 24 -7.413 1.545 14.669 1.00 0.00 C ATOM 327 CD GLU A 24 -7.370 2.952 14.106 1.00 0.00 C ATOM 328 OE1 GLU A 24 -8.445 3.575 13.980 1.00 0.00 O ATOM 329 OE2 GLU A 24 -6.260 3.430 13.791 1.00 0.00 O ATOM 0 H GLU A 24 -10.008 -0.823 12.757 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.586 2.089 12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.475 1.070 14.985 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.512 -0.270 14.395 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.336 1.590 15.755 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.548 0.988 14.311 1.00 0.00 H new ATOM 336 N LEU A 25 -7.491 2.209 11.498 1.00 0.00 N ATOM 337 CA LEU A 25 -6.361 2.299 10.579 1.00 0.00 C ATOM 338 C LEU A 25 -5.114 2.805 11.297 1.00 0.00 C ATOM 339 O LEU A 25 -5.073 3.943 11.765 1.00 0.00 O ATOM 340 CB LEU A 25 -6.702 3.225 9.410 1.00 0.00 C ATOM 341 CG LEU A 25 -7.567 2.619 8.304 1.00 0.00 C ATOM 342 CD1 LEU A 25 -7.891 3.664 7.248 1.00 0.00 C ATOM 343 CD2 LEU A 25 -6.868 1.422 7.676 1.00 0.00 C ATOM 0 H LEU A 25 -7.866 3.110 11.794 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.156 1.300 10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.214 4.102 9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.770 3.574 8.965 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.503 2.277 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.507 3.215 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.433 4.490 7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.966 4.037 6.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.498 1.003 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.917 1.739 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.687 0.665 8.439 1.00 0.00 H new ATOM 355 N LYS A 26 -4.098 1.953 11.378 1.00 0.00 N ATOM 356 CA LYS A 26 -2.847 2.314 12.036 1.00 0.00 C ATOM 357 C LYS A 26 -1.835 2.844 11.026 1.00 0.00 C ATOM 358 O LYS A 26 -1.739 2.363 9.896 1.00 0.00 O ATOM 359 CB LYS A 26 -2.266 1.104 12.770 1.00 0.00 C ATOM 360 CG LYS A 26 -3.050 0.710 14.010 1.00 0.00 C ATOM 361 CD LYS A 26 -2.958 -0.783 14.277 1.00 0.00 C ATOM 362 CE LYS A 26 -4.068 -1.545 13.570 1.00 0.00 C ATOM 363 NZ LYS A 26 -3.871 -3.019 13.655 1.00 0.00 N ATOM 0 H LYS A 26 -4.116 1.007 10.996 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.059 3.102 12.759 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.234 0.256 12.086 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.237 1.323 13.055 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.670 1.259 14.872 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.095 0.995 13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.990 -1.155 13.942 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.016 -0.966 15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.029 -1.281 14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.106 -1.243 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.648 -3.502 13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.966 -3.275 13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.861 -3.311 14.653 1.00 0.00 H new ATOM 377 N PRO A 27 -1.059 3.856 11.440 1.00 0.00 N ATOM 378 CA PRO A 27 -0.038 4.471 10.586 1.00 0.00 C ATOM 379 C PRO A 27 1.143 3.541 10.332 1.00 0.00 C ATOM 380 O PRO A 27 1.997 3.353 11.200 1.00 0.00 O ATOM 381 CB PRO A 27 0.408 5.694 11.392 1.00 0.00 C ATOM 382 CG PRO A 27 0.113 5.342 12.809 1.00 0.00 C ATOM 383 CD PRO A 27 -1.117 4.478 12.773 1.00 0.00 C ATOM 0 HA PRO A 27 -0.426 4.713 9.597 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.469 5.898 11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.133 6.589 11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.950 4.811 13.262 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.057 6.238 13.407 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.106 3.730 13.566 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.025 5.067 12.902 1.00 0.00 H new ATOM 391 N LEU A 28 1.187 2.960 9.138 1.00 0.00 N ATOM 392 CA LEU A 28 2.265 2.049 8.770 1.00 0.00 C ATOM 393 C LEU A 28 3.519 2.821 8.373 1.00 0.00 C ATOM 394 O LEU A 28 4.639 2.383 8.636 1.00 0.00 O ATOM 395 CB LEU A 28 1.823 1.145 7.617 1.00 0.00 C ATOM 396 CG LEU A 28 2.927 0.682 6.666 1.00 0.00 C ATOM 397 CD1 LEU A 28 2.486 -0.554 5.897 1.00 0.00 C ATOM 398 CD2 LEU A 28 3.310 1.800 5.708 1.00 0.00 C ATOM 0 H LEU A 28 0.489 3.104 8.408 1.00 0.00 H new ATOM 0 HA LEU A 28 2.500 1.433 9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.340 0.263 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.068 1.675 7.035 1.00 0.00 H new ATOM 0 HG LEU A 28 3.804 0.422 7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.285 -0.869 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.263 -1.358 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.594 -0.322 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.097 1.452 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.438 2.092 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.670 2.658 6.276 1.00 0.00 H new ATOM 410 N GLY A 29 3.324 3.974 7.741 1.00 0.00 N ATOM 411 CA GLY A 29 4.448 4.789 7.321 1.00 0.00 C ATOM 412 C GLY A 29 4.035 5.908 6.385 1.00 0.00 C ATOM 413 O GLY A 29 2.854 6.238 6.285 1.00 0.00 O ATOM 0 H GLY A 29 2.407 4.358 7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.933 5.215 8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.185 4.158 6.825 1.00 0.00 H new ATOM 417 N MET A 30 5.011 6.495 5.700 1.00 0.00 N ATOM 418 CA MET A 30 4.742 7.584 4.768 1.00 0.00 C ATOM 419 C MET A 30 5.580 7.436 3.502 1.00 0.00 C ATOM 420 O MET A 30 6.770 7.128 3.566 1.00 0.00 O ATOM 421 CB MET A 30 5.031 8.933 5.430 1.00 0.00 C ATOM 422 CG MET A 30 5.277 10.057 4.437 1.00 0.00 C ATOM 423 SD MET A 30 7.023 10.253 4.029 1.00 0.00 S ATOM 424 CE MET A 30 7.639 11.008 5.531 1.00 0.00 C ATOM 0 H MET A 30 5.995 6.235 5.773 1.00 0.00 H new ATOM 0 HA MET A 30 3.688 7.541 4.492 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.190 9.202 6.070 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.903 8.832 6.076 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.714 9.860 3.524 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.897 10.991 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 30 8.611 11.463 5.338 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.940 11.774 5.866 1.00 0.00 H new ATOM 0 HE3 MET A 30 7.742 10.247 6.305 1.00 0.00 H new ATOM 434 N VAL A 31 4.951 7.658 2.352 1.00 0.00 N ATOM 435 CA VAL A 31 5.640 7.550 1.072 1.00 0.00 C ATOM 436 C VAL A 31 7.042 8.142 1.149 1.00 0.00 C ATOM 437 O VAL A 31 7.210 9.335 1.403 1.00 0.00 O ATOM 438 CB VAL A 31 4.856 8.259 -0.048 1.00 0.00 C ATOM 439 CG1 VAL A 31 5.592 8.140 -1.374 1.00 0.00 C ATOM 440 CG2 VAL A 31 3.449 7.690 -0.157 1.00 0.00 C ATOM 0 H VAL A 31 3.966 7.914 2.281 1.00 0.00 H new ATOM 0 HA VAL A 31 5.711 6.487 0.840 1.00 0.00 H new ATOM 0 HB VAL A 31 4.777 9.317 0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.023 8.647 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.576 8.600 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.705 7.088 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.910 8.203 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.504 6.625 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.924 7.834 0.787 1.00 0.00 H new ATOM 450 N SER A 32 8.047 7.301 0.930 1.00 0.00 N ATOM 451 CA SER A 32 9.437 7.741 0.978 1.00 0.00 C ATOM 452 C SER A 32 9.984 7.968 -0.428 1.00 0.00 C ATOM 453 O SER A 32 10.866 8.801 -0.635 1.00 0.00 O ATOM 454 CB SER A 32 10.295 6.708 1.711 1.00 0.00 C ATOM 455 OG SER A 32 11.676 6.971 1.529 1.00 0.00 O ATOM 0 H SER A 32 7.925 6.311 0.718 1.00 0.00 H new ATOM 0 HA SER A 32 9.475 8.686 1.520 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.056 6.721 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.060 5.709 1.344 1.00 0.00 H new ATOM 0 HG SER A 32 12.203 6.298 2.008 1.00 0.00 H new ATOM 461 N SER A 33 9.453 7.221 -1.390 1.00 0.00 N ATOM 462 CA SER A 33 9.890 7.337 -2.777 1.00 0.00 C ATOM 463 C SER A 33 8.871 6.707 -3.722 1.00 0.00 C ATOM 464 O SER A 33 7.914 6.068 -3.284 1.00 0.00 O ATOM 465 CB SER A 33 11.254 6.669 -2.961 1.00 0.00 C ATOM 466 OG SER A 33 12.002 7.310 -3.980 1.00 0.00 O ATOM 0 H SER A 33 8.720 6.529 -1.235 1.00 0.00 H new ATOM 0 HA SER A 33 9.976 8.397 -3.018 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.808 6.702 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.117 5.617 -3.213 1.00 0.00 H new ATOM 0 HG SER A 33 12.870 6.866 -4.077 1.00 0.00 H new ATOM 472 N ILE A 34 9.085 6.893 -5.020 1.00 0.00 N ATOM 473 CA ILE A 34 8.186 6.343 -6.028 1.00 0.00 C ATOM 474 C ILE A 34 8.965 5.633 -7.130 1.00 0.00 C ATOM 475 O ILE A 34 9.867 6.212 -7.738 1.00 0.00 O ATOM 476 CB ILE A 34 7.309 7.440 -6.659 1.00 0.00 C ATOM 477 CG1 ILE A 34 6.322 7.991 -5.628 1.00 0.00 C ATOM 478 CG2 ILE A 34 6.569 6.895 -7.871 1.00 0.00 C ATOM 479 CD1 ILE A 34 6.878 9.136 -4.811 1.00 0.00 C ATOM 0 H ILE A 34 9.872 7.420 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 34 7.543 5.624 -5.520 1.00 0.00 H new ATOM 0 HB ILE A 34 7.954 8.255 -6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.421 8.326 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.025 7.186 -4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.953 7.682 -8.306 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.290 6.547 -8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.933 6.064 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.124 9.476 -4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.762 8.800 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.149 9.958 -5.474 1.00 0.00 H new ATOM 491 N ILE A 35 8.610 4.379 -7.384 1.00 0.00 N ATOM 492 CA ILE A 35 9.274 3.591 -8.416 1.00 0.00 C ATOM 493 C ILE A 35 8.633 3.821 -9.780 1.00 0.00 C ATOM 494 O ILE A 35 7.475 4.226 -9.872 1.00 0.00 O ATOM 495 CB ILE A 35 9.232 2.086 -8.089 1.00 0.00 C ATOM 496 CG1 ILE A 35 9.968 1.807 -6.777 1.00 0.00 C ATOM 497 CG2 ILE A 35 9.841 1.281 -9.227 1.00 0.00 C ATOM 498 CD1 ILE A 35 9.691 0.432 -6.210 1.00 0.00 C ATOM 0 H ILE A 35 7.866 3.886 -6.890 1.00 0.00 H new ATOM 0 HA ILE A 35 10.313 3.920 -8.445 1.00 0.00 H new ATOM 0 HB ILE A 35 8.192 1.782 -7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.040 1.914 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.681 2.559 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.805 0.220 -8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.278 1.462 -10.143 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.878 1.584 -9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.245 0.303 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.624 0.328 -6.014 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.004 -0.327 -6.927 1.00 0.00 H new ATOM 510 N GLU A 36 9.396 3.559 -10.837 1.00 0.00 N ATOM 511 CA GLU A 36 8.902 3.737 -12.198 1.00 0.00 C ATOM 512 C GLU A 36 7.413 3.413 -12.282 1.00 0.00 C ATOM 513 O GLU A 36 6.649 4.126 -12.933 1.00 0.00 O ATOM 514 CB GLU A 36 9.684 2.851 -13.168 1.00 0.00 C ATOM 515 CG GLU A 36 11.171 3.159 -13.211 1.00 0.00 C ATOM 516 CD GLU A 36 11.514 4.244 -14.213 1.00 0.00 C ATOM 517 OE1 GLU A 36 10.830 5.289 -14.212 1.00 0.00 O ATOM 518 OE2 GLU A 36 12.465 4.048 -14.998 1.00 0.00 O ATOM 0 H GLU A 36 10.357 3.223 -10.777 1.00 0.00 H new ATOM 0 HA GLU A 36 9.045 4.781 -12.476 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.546 1.807 -12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.268 2.968 -14.169 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.503 3.467 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.719 2.251 -13.463 1.00 0.00 H new ATOM 525 N GLN A 37 7.010 2.333 -11.621 1.00 0.00 N ATOM 526 CA GLN A 37 5.614 1.914 -11.623 1.00 0.00 C ATOM 527 C GLN A 37 5.105 1.707 -10.200 1.00 0.00 C ATOM 528 O GLN A 37 3.942 1.980 -9.899 1.00 0.00 O ATOM 529 CB GLN A 37 5.448 0.624 -12.429 1.00 0.00 C ATOM 530 CG GLN A 37 6.603 -0.350 -12.262 1.00 0.00 C ATOM 531 CD GLN A 37 6.750 -1.288 -13.445 1.00 0.00 C ATOM 532 OE1 GLN A 37 5.807 -1.984 -13.821 1.00 0.00 O ATOM 533 NE2 GLN A 37 7.938 -1.311 -14.038 1.00 0.00 N ATOM 0 H GLN A 37 7.630 1.733 -11.078 1.00 0.00 H new ATOM 0 HA GLN A 37 5.025 2.704 -12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.523 0.133 -12.127 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.345 0.876 -13.485 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.529 0.209 -12.129 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.452 -0.936 -11.355 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.692 -0.717 -13.693 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.097 -1.923 -14.839 1.00 0.00 H new ATOM 542 N LEU A 38 5.983 1.224 -9.328 1.00 0.00 N ATOM 543 CA LEU A 38 5.623 0.980 -7.936 1.00 0.00 C ATOM 544 C LEU A 38 5.895 2.213 -7.079 1.00 0.00 C ATOM 545 O LEU A 38 6.426 3.213 -7.563 1.00 0.00 O ATOM 546 CB LEU A 38 6.403 -0.217 -7.389 1.00 0.00 C ATOM 547 CG LEU A 38 6.330 -1.501 -8.216 1.00 0.00 C ATOM 548 CD1 LEU A 38 5.029 -1.556 -9.001 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.525 -1.600 -9.153 1.00 0.00 C ATOM 0 H LEU A 38 6.949 0.994 -9.560 1.00 0.00 H new ATOM 0 HA LEU A 38 4.556 0.760 -7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.450 0.070 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.039 -0.434 -6.385 1.00 0.00 H new ATOM 0 HG LEU A 38 6.356 -2.352 -7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.994 -2.477 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.186 -1.532 -8.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.973 -0.699 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.457 -2.520 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.530 -0.744 -9.828 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.445 -1.607 -8.569 1.00 0.00 H new ATOM 561 N VAL A 39 5.528 2.134 -5.804 1.00 0.00 N ATOM 562 CA VAL A 39 5.735 3.242 -4.879 1.00 0.00 C ATOM 563 C VAL A 39 6.393 2.765 -3.589 1.00 0.00 C ATOM 564 O VAL A 39 5.999 1.747 -3.019 1.00 0.00 O ATOM 565 CB VAL A 39 4.407 3.942 -4.536 1.00 0.00 C ATOM 566 CG1 VAL A 39 4.613 4.968 -3.433 1.00 0.00 C ATOM 567 CG2 VAL A 39 3.813 4.593 -5.777 1.00 0.00 C ATOM 0 H VAL A 39 5.086 1.314 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 39 6.393 3.953 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 39 3.704 3.192 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.664 5.452 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.991 4.471 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.332 5.718 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.875 5.083 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.512 5.332 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.627 3.831 -6.534 1.00 0.00 H new ATOM 577 N ILE A 40 7.396 3.507 -3.134 1.00 0.00 N ATOM 578 CA ILE A 40 8.108 3.161 -1.910 1.00 0.00 C ATOM 579 C ILE A 40 7.502 3.869 -0.703 1.00 0.00 C ATOM 580 O ILE A 40 7.202 5.062 -0.757 1.00 0.00 O ATOM 581 CB ILE A 40 9.602 3.522 -2.006 1.00 0.00 C ATOM 582 CG1 ILE A 40 10.225 2.881 -3.248 1.00 0.00 C ATOM 583 CG2 ILE A 40 10.337 3.079 -0.750 1.00 0.00 C ATOM 584 CD1 ILE A 40 10.158 1.370 -3.246 1.00 0.00 C ATOM 0 H ILE A 40 7.734 4.352 -3.594 1.00 0.00 H new ATOM 0 HA ILE A 40 8.011 2.083 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 40 9.694 4.605 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.717 3.258 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.268 3.190 -3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.392 3.341 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.907 3.578 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.240 2.000 -0.633 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.618 0.984 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.691 0.983 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.116 1.052 -3.203 1.00 0.00 H new ATOM 596 N ILE A 41 7.328 3.127 0.385 1.00 0.00 N ATOM 597 CA ILE A 41 6.761 3.685 1.607 1.00 0.00 C ATOM 598 C ILE A 41 7.619 3.339 2.819 1.00 0.00 C ATOM 599 O ILE A 41 7.783 2.168 3.161 1.00 0.00 O ATOM 600 CB ILE A 41 5.327 3.176 1.845 1.00 0.00 C ATOM 601 CG1 ILE A 41 4.449 3.470 0.627 1.00 0.00 C ATOM 602 CG2 ILE A 41 4.739 3.815 3.094 1.00 0.00 C ATOM 603 CD1 ILE A 41 3.342 2.459 0.421 1.00 0.00 C ATOM 0 H ILE A 41 7.571 2.138 0.446 1.00 0.00 H new ATOM 0 HA ILE A 41 6.737 4.767 1.479 1.00 0.00 H new ATOM 0 HB ILE A 41 5.361 2.097 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.009 4.461 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.076 3.497 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.725 3.445 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.354 3.560 3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.716 4.898 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.760 2.731 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.775 1.469 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.692 2.448 1.296 1.00 0.00 H new ATOM 615 N GLU A 42 8.162 4.366 3.465 1.00 0.00 N ATOM 616 CA GLU A 42 9.003 4.170 4.640 1.00 0.00 C ATOM 617 C GLU A 42 8.153 4.037 5.901 1.00 0.00 C ATOM 618 O GLU A 42 7.157 4.741 6.067 1.00 0.00 O ATOM 619 CB GLU A 42 9.984 5.334 4.793 1.00 0.00 C ATOM 620 CG GLU A 42 10.739 5.325 6.112 1.00 0.00 C ATOM 621 CD GLU A 42 11.204 6.707 6.527 1.00 0.00 C ATOM 622 OE1 GLU A 42 11.622 7.483 5.642 1.00 0.00 O ATOM 623 OE2 GLU A 42 11.151 7.012 7.737 1.00 0.00 O ATOM 0 H GLU A 42 8.035 5.341 3.195 1.00 0.00 H new ATOM 0 HA GLU A 42 9.566 3.247 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.702 5.303 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.437 6.273 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.098 4.912 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.603 4.665 6.028 1.00 0.00 H new ATOM 630 N SER A 43 8.555 3.130 6.785 1.00 0.00 N ATOM 631 CA SER A 43 7.828 2.902 8.029 1.00 0.00 C ATOM 632 C SER A 43 8.341 3.820 9.134 1.00 0.00 C ATOM 633 O SER A 43 9.319 4.545 8.950 1.00 0.00 O ATOM 634 CB SER A 43 7.963 1.440 8.461 1.00 0.00 C ATOM 635 OG SER A 43 9.099 1.255 9.288 1.00 0.00 O ATOM 0 H SER A 43 9.379 2.541 6.664 1.00 0.00 H new ATOM 0 HA SER A 43 6.776 3.127 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.065 1.132 8.997 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.043 0.803 7.580 1.00 0.00 H new ATOM 0 HG SER A 43 8.998 0.427 9.803 1.00 0.00 H new ATOM 641 N MET A 44 7.674 3.783 10.283 1.00 0.00 N ATOM 642 CA MET A 44 8.062 4.611 11.419 1.00 0.00 C ATOM 643 C MET A 44 8.457 3.746 12.612 1.00 0.00 C ATOM 644 O MET A 44 9.633 3.657 12.966 1.00 0.00 O ATOM 645 CB MET A 44 6.918 5.548 11.809 1.00 0.00 C ATOM 646 CG MET A 44 6.257 6.229 10.621 1.00 0.00 C ATOM 647 SD MET A 44 7.077 7.766 10.158 1.00 0.00 S ATOM 648 CE MET A 44 6.373 8.050 8.536 1.00 0.00 C ATOM 0 H MET A 44 6.862 3.189 10.452 1.00 0.00 H new ATOM 0 HA MET A 44 8.925 5.208 11.124 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.166 4.981 12.357 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.299 6.310 12.488 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.260 5.549 9.769 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.214 6.436 10.860 1.00 0.00 H new ATOM 0 HE1 MET A 44 6.376 9.118 8.320 1.00 0.00 H new ATOM 0 HE2 MET A 44 6.965 7.527 7.786 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.349 7.678 8.514 1.00 0.00 H new ATOM 658 N THR A 45 7.466 3.110 13.230 1.00 0.00 N ATOM 659 CA THR A 45 7.709 2.254 14.384 1.00 0.00 C ATOM 660 C THR A 45 6.427 1.566 14.838 1.00 0.00 C ATOM 661 O THR A 45 5.346 1.844 14.321 1.00 0.00 O ATOM 662 CB THR A 45 8.295 3.054 15.563 1.00 0.00 C ATOM 663 OG1 THR A 45 8.577 2.176 16.658 1.00 0.00 O ATOM 664 CG2 THR A 45 7.329 4.140 16.012 1.00 0.00 C ATOM 0 H THR A 45 6.487 3.172 12.950 1.00 0.00 H new ATOM 0 HA THR A 45 8.431 1.500 14.072 1.00 0.00 H new ATOM 0 HB THR A 45 9.219 3.527 15.230 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.951 2.692 17.403 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.764 4.692 16.845 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.139 4.823 15.184 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.391 3.684 16.329 1.00 0.00 H new ATOM 672 N ASN A 46 6.556 0.666 15.807 1.00 0.00 N ATOM 673 CA ASN A 46 5.406 -0.062 16.331 1.00 0.00 C ATOM 674 C ASN A 46 4.636 -0.746 15.206 1.00 0.00 C ATOM 675 O ASN A 46 3.422 -0.932 15.293 1.00 0.00 O ATOM 676 CB ASN A 46 4.480 0.886 17.095 1.00 0.00 C ATOM 677 CG ASN A 46 3.258 0.180 17.650 1.00 0.00 C ATOM 678 OD1 ASN A 46 2.124 0.537 17.334 1.00 0.00 O ATOM 679 ND2 ASN A 46 3.486 -0.829 18.483 1.00 0.00 N ATOM 0 H ASN A 46 7.445 0.423 16.245 1.00 0.00 H new ATOM 0 HA ASN A 46 5.774 -0.828 17.014 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.032 1.347 17.914 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.161 1.690 16.432 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.703 -1.342 18.889 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.444 -1.091 18.717 1.00 0.00 H new ATOM 686 N LEU A 47 5.350 -1.118 14.149 1.00 0.00 N ATOM 687 CA LEU A 47 4.735 -1.782 13.005 1.00 0.00 C ATOM 688 C LEU A 47 4.564 -3.274 13.269 1.00 0.00 C ATOM 689 O LEU A 47 5.509 -3.980 13.621 1.00 0.00 O ATOM 690 CB LEU A 47 5.582 -1.568 11.750 1.00 0.00 C ATOM 691 CG LEU A 47 5.244 -0.333 10.914 1.00 0.00 C ATOM 692 CD1 LEU A 47 6.049 0.868 11.386 1.00 0.00 C ATOM 693 CD2 LEU A 47 5.499 -0.601 9.438 1.00 0.00 C ATOM 0 H LEU A 47 6.355 -0.971 14.061 1.00 0.00 H new ATOM 0 HA LEU A 47 3.749 -1.344 12.849 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.628 -1.504 12.049 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.485 -2.449 11.116 1.00 0.00 H new ATOM 0 HG LEU A 47 4.185 -0.109 11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.795 1.737 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.816 1.074 12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.113 0.655 11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.253 0.289 8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.549 -0.851 9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.878 -1.433 9.107 1.00 0.00 H new ATOM 705 N PRO A 48 3.330 -3.769 13.093 1.00 0.00 N ATOM 706 CA PRO A 48 3.006 -5.183 13.304 1.00 0.00 C ATOM 707 C PRO A 48 3.625 -6.084 12.241 1.00 0.00 C ATOM 708 O PRO A 48 4.007 -5.637 11.159 1.00 0.00 O ATOM 709 CB PRO A 48 1.479 -5.216 13.210 1.00 0.00 C ATOM 710 CG PRO A 48 1.126 -4.039 12.366 1.00 0.00 C ATOM 711 CD PRO A 48 2.155 -2.986 12.674 1.00 0.00 C ATOM 0 HA PRO A 48 3.396 -5.553 14.252 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.130 -6.145 12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.020 -5.148 14.196 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.139 -4.300 11.308 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.122 -3.682 12.594 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.373 -2.370 11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.818 -2.314 13.463 1.00 0.00 H new ATOM 719 N PRO A 49 3.728 -7.385 12.553 1.00 0.00 N ATOM 720 CA PRO A 49 4.299 -8.376 11.637 1.00 0.00 C ATOM 721 C PRO A 49 3.402 -8.635 10.431 1.00 0.00 C ATOM 722 O PRO A 49 2.664 -9.620 10.394 1.00 0.00 O ATOM 723 CB PRO A 49 4.411 -9.635 12.500 1.00 0.00 C ATOM 724 CG PRO A 49 3.371 -9.465 13.554 1.00 0.00 C ATOM 725 CD PRO A 49 3.293 -7.988 13.824 1.00 0.00 C ATOM 0 HA PRO A 49 5.249 -8.044 11.219 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.235 -10.535 11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.405 -9.729 12.936 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.409 -9.852 13.219 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.638 -10.013 14.457 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.281 -7.681 14.089 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.941 -7.696 14.650 1.00 0.00 H new ATOM 733 N VAL A 50 3.472 -7.746 9.445 1.00 0.00 N ATOM 734 CA VAL A 50 2.667 -7.880 8.237 1.00 0.00 C ATOM 735 C VAL A 50 3.508 -8.385 7.070 1.00 0.00 C ATOM 736 O VAL A 50 4.654 -7.974 6.894 1.00 0.00 O ATOM 737 CB VAL A 50 2.016 -6.540 7.845 1.00 0.00 C ATOM 738 CG1 VAL A 50 0.694 -6.355 8.574 1.00 0.00 C ATOM 739 CG2 VAL A 50 2.961 -5.384 8.135 1.00 0.00 C ATOM 0 H VAL A 50 4.078 -6.926 9.459 1.00 0.00 H new ATOM 0 HA VAL A 50 1.884 -8.605 8.457 1.00 0.00 H new ATOM 0 HB VAL A 50 1.814 -6.554 6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.249 -5.403 8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.017 -7.167 8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.868 -6.362 9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.485 -4.445 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.197 -5.365 9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.879 -5.512 7.562 1.00 0.00 H new ATOM 749 N ASN A 51 2.930 -9.278 6.274 1.00 0.00 N ATOM 750 CA ASN A 51 3.626 -9.840 5.122 1.00 0.00 C ATOM 751 C ASN A 51 3.164 -9.175 3.829 1.00 0.00 C ATOM 752 O ASN A 51 2.233 -8.370 3.833 1.00 0.00 O ATOM 753 CB ASN A 51 3.392 -11.350 5.045 1.00 0.00 C ATOM 754 CG ASN A 51 3.778 -12.062 6.327 1.00 0.00 C ATOM 755 OD1 ASN A 51 2.935 -12.317 7.187 1.00 0.00 O ATOM 756 ND2 ASN A 51 5.059 -12.386 6.460 1.00 0.00 N ATOM 0 H ASN A 51 1.981 -9.628 6.405 1.00 0.00 H new ATOM 0 HA ASN A 51 4.692 -9.651 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.341 -11.541 4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.968 -11.762 4.216 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.379 -12.866 7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.723 -12.155 5.721 1.00 0.00 H new ATOM 763 N GLU A 52 3.820 -9.519 2.726 1.00 0.00 N ATOM 764 CA GLU A 52 3.476 -8.955 1.426 1.00 0.00 C ATOM 765 C GLU A 52 1.970 -9.021 1.186 1.00 0.00 C ATOM 766 O GLU A 52 1.328 -8.004 0.927 1.00 0.00 O ATOM 767 CB GLU A 52 4.214 -9.698 0.311 1.00 0.00 C ATOM 768 CG GLU A 52 5.728 -9.612 0.420 1.00 0.00 C ATOM 769 CD GLU A 52 6.433 -10.681 -0.391 1.00 0.00 C ATOM 770 OE1 GLU A 52 6.278 -11.875 -0.059 1.00 0.00 O ATOM 771 OE2 GLU A 52 7.141 -10.325 -1.356 1.00 0.00 O ATOM 0 H GLU A 52 4.592 -10.185 2.706 1.00 0.00 H new ATOM 0 HA GLU A 52 3.782 -7.909 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.916 -10.746 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.904 -9.292 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.057 -8.629 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.019 -9.704 1.466 1.00 0.00 H new ATOM 778 N GLU A 53 1.415 -10.226 1.273 1.00 0.00 N ATOM 779 CA GLU A 53 -0.014 -10.425 1.064 1.00 0.00 C ATOM 780 C GLU A 53 -0.821 -9.315 1.731 1.00 0.00 C ATOM 781 O GLU A 53 -1.950 -9.025 1.332 1.00 0.00 O ATOM 782 CB GLU A 53 -0.448 -11.786 1.611 1.00 0.00 C ATOM 783 CG GLU A 53 -1.610 -12.405 0.853 1.00 0.00 C ATOM 784 CD GLU A 53 -1.154 -13.285 -0.296 1.00 0.00 C ATOM 785 OE1 GLU A 53 -0.824 -12.735 -1.368 1.00 0.00 O ATOM 786 OE2 GLU A 53 -1.129 -14.521 -0.123 1.00 0.00 O ATOM 0 H GLU A 53 1.933 -11.078 1.487 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.206 -10.396 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.401 -12.469 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.727 -11.675 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.214 -12.996 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.251 -11.612 0.467 1.00 0.00 H new ATOM 793 N THR A 54 -0.235 -8.697 2.752 1.00 0.00 N ATOM 794 CA THR A 54 -0.899 -7.621 3.477 1.00 0.00 C ATOM 795 C THR A 54 -1.269 -6.475 2.542 1.00 0.00 C ATOM 796 O THR A 54 -0.474 -6.070 1.694 1.00 0.00 O ATOM 797 CB THR A 54 -0.010 -7.076 4.611 1.00 0.00 C ATOM 798 OG1 THR A 54 0.382 -8.143 5.482 1.00 0.00 O ATOM 799 CG2 THR A 54 -0.744 -6.008 5.408 1.00 0.00 C ATOM 0 H THR A 54 0.698 -8.924 3.095 1.00 0.00 H new ATOM 0 HA THR A 54 -1.807 -8.043 3.908 1.00 0.00 H new ATOM 0 HB THR A 54 0.877 -6.628 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.926 -8.789 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.097 -5.638 6.203 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.016 -5.184 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.647 -6.436 5.845 1.00 0.00 H new ATOM 807 N VAL A 55 -2.482 -5.955 2.702 1.00 0.00 N ATOM 808 CA VAL A 55 -2.958 -4.854 1.873 1.00 0.00 C ATOM 809 C VAL A 55 -2.759 -3.514 2.573 1.00 0.00 C ATOM 810 O VAL A 55 -2.936 -3.404 3.786 1.00 0.00 O ATOM 811 CB VAL A 55 -4.448 -5.020 1.521 1.00 0.00 C ATOM 812 CG1 VAL A 55 -4.880 -3.964 0.515 1.00 0.00 C ATOM 813 CG2 VAL A 55 -4.716 -6.419 0.985 1.00 0.00 C ATOM 0 H VAL A 55 -3.153 -6.279 3.399 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.371 -4.872 0.955 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.035 -4.884 2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.936 -4.097 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.726 -2.972 0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.289 -4.065 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.774 -6.519 0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.120 -6.585 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.447 -7.156 1.741 1.00 0.00 H new ATOM 823 N ILE A 56 -2.389 -2.499 1.799 1.00 0.00 N ATOM 824 CA ILE A 56 -2.168 -1.165 2.344 1.00 0.00 C ATOM 825 C ILE A 56 -3.335 -0.239 2.022 1.00 0.00 C ATOM 826 O ILE A 56 -3.710 -0.076 0.860 1.00 0.00 O ATOM 827 CB ILE A 56 -0.867 -0.544 1.801 1.00 0.00 C ATOM 828 CG1 ILE A 56 0.308 -1.501 2.011 1.00 0.00 C ATOM 829 CG2 ILE A 56 -0.597 0.792 2.475 1.00 0.00 C ATOM 830 CD1 ILE A 56 0.373 -2.081 3.406 1.00 0.00 C ATOM 0 H ILE A 56 -2.236 -2.575 0.793 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.084 -1.275 3.425 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.983 -0.372 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.236 -2.316 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.238 -0.973 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.325 1.218 2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.425 1.473 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.498 0.644 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.230 -2.750 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.477 -1.274 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.541 -2.638 3.611 1.00 0.00 H new ATOM 842 N PHE A 57 -3.904 0.369 3.057 1.00 0.00 N ATOM 843 CA PHE A 57 -5.029 1.281 2.884 1.00 0.00 C ATOM 844 C PHE A 57 -4.561 2.733 2.912 1.00 0.00 C ATOM 845 O PHE A 57 -3.566 3.065 3.557 1.00 0.00 O ATOM 846 CB PHE A 57 -6.074 1.049 3.978 1.00 0.00 C ATOM 847 CG PHE A 57 -6.877 -0.205 3.783 1.00 0.00 C ATOM 848 CD1 PHE A 57 -6.247 -1.418 3.555 1.00 0.00 C ATOM 849 CD2 PHE A 57 -8.261 -0.172 3.829 1.00 0.00 C ATOM 850 CE1 PHE A 57 -6.984 -2.574 3.375 1.00 0.00 C ATOM 851 CE2 PHE A 57 -9.003 -1.324 3.650 1.00 0.00 C ATOM 852 CZ PHE A 57 -8.363 -2.527 3.424 1.00 0.00 C ATOM 0 H PHE A 57 -3.605 0.247 4.024 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.480 1.082 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.572 1.003 4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.751 1.903 4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.169 -1.461 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.766 0.766 4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.481 -3.513 3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.082 -1.284 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.940 -3.429 3.286 1.00 0.00 H new ATOM 862 N LYS A 58 -5.285 3.596 2.208 1.00 0.00 N ATOM 863 CA LYS A 58 -4.946 5.013 2.151 1.00 0.00 C ATOM 864 C LYS A 58 -5.599 5.775 3.299 1.00 0.00 C ATOM 865 O LYS A 58 -6.314 5.193 4.116 1.00 0.00 O ATOM 866 CB LYS A 58 -5.387 5.610 0.812 1.00 0.00 C ATOM 867 CG LYS A 58 -4.377 5.413 -0.304 1.00 0.00 C ATOM 868 CD LYS A 58 -5.056 5.313 -1.660 1.00 0.00 C ATOM 869 CE LYS A 58 -6.116 6.390 -1.832 1.00 0.00 C ATOM 870 NZ LYS A 58 -6.678 6.399 -3.212 1.00 0.00 N ATOM 0 H LYS A 58 -6.111 3.339 1.668 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.864 5.107 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.334 5.159 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.569 6.677 0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.673 6.245 -0.309 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.800 4.507 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.310 5.405 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.514 4.330 -1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.919 6.227 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.683 7.365 -1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.402 7.278 -3.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.310 5.583 -3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.715 6.341 -3.165 1.00 0.00 H new ATOM 884 N SER A 59 -5.350 7.079 3.356 1.00 0.00 N ATOM 885 CA SER A 59 -5.912 7.920 4.406 1.00 0.00 C ATOM 886 C SER A 59 -7.424 8.053 4.245 1.00 0.00 C ATOM 887 O SER A 59 -8.150 8.226 5.223 1.00 0.00 O ATOM 888 CB SER A 59 -5.262 9.305 4.382 1.00 0.00 C ATOM 889 OG SER A 59 -5.777 10.092 3.323 1.00 0.00 O ATOM 0 H SER A 59 -4.762 7.576 2.687 1.00 0.00 H new ATOM 0 HA SER A 59 -5.706 7.446 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.438 9.809 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.183 9.202 4.271 1.00 0.00 H new ATOM 0 HG SER A 59 -5.347 10.973 3.331 1.00 0.00 H new ATOM 895 N ASP A 60 -7.889 7.971 3.003 1.00 0.00 N ATOM 896 CA ASP A 60 -9.314 8.080 2.712 1.00 0.00 C ATOM 897 C ASP A 60 -9.992 6.716 2.792 1.00 0.00 C ATOM 898 O ASP A 60 -11.029 6.490 2.168 1.00 0.00 O ATOM 899 CB ASP A 60 -9.528 8.690 1.326 1.00 0.00 C ATOM 900 CG ASP A 60 -9.489 10.206 1.348 1.00 0.00 C ATOM 901 OD1 ASP A 60 -8.542 10.766 1.938 1.00 0.00 O ATOM 902 OD2 ASP A 60 -10.405 10.832 0.775 1.00 0.00 O ATOM 0 H ASP A 60 -7.300 7.830 2.182 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.763 8.732 3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.760 8.320 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.489 8.360 0.931 1.00 0.00 H new ATOM 907 N ARG A 61 -9.397 5.810 3.561 1.00 0.00 N ATOM 908 CA ARG A 61 -9.942 4.467 3.719 1.00 0.00 C ATOM 909 C ARG A 61 -10.146 3.799 2.363 1.00 0.00 C ATOM 910 O ARG A 61 -11.227 3.290 2.068 1.00 0.00 O ATOM 911 CB ARG A 61 -11.269 4.518 4.480 1.00 0.00 C ATOM 912 CG ARG A 61 -11.118 4.905 5.942 1.00 0.00 C ATOM 913 CD ARG A 61 -12.435 4.776 6.691 1.00 0.00 C ATOM 914 NE ARG A 61 -12.349 5.314 8.046 1.00 0.00 N ATOM 915 CZ ARG A 61 -13.408 5.682 8.759 1.00 0.00 C ATOM 916 NH1 ARG A 61 -14.627 5.570 8.248 1.00 0.00 N ATOM 917 NH2 ARG A 61 -13.249 6.162 9.985 1.00 0.00 N ATOM 0 H ARG A 61 -8.538 5.981 4.084 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.226 3.877 4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.932 5.232 3.991 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.751 3.542 4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.367 4.270 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.757 5.931 6.013 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.217 5.300 6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.725 3.726 6.735 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.426 5.413 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.753 5.201 7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.438 5.853 8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.313 6.249 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.063 6.444 10.532 1.00 0.00 H new ATOM 931 N GLN A 62 -9.101 3.807 1.542 1.00 0.00 N ATOM 932 CA GLN A 62 -9.167 3.203 0.216 1.00 0.00 C ATOM 933 C GLN A 62 -7.952 2.318 -0.040 1.00 0.00 C ATOM 934 O GLN A 62 -6.828 2.807 -0.150 1.00 0.00 O ATOM 935 CB GLN A 62 -9.258 4.289 -0.858 1.00 0.00 C ATOM 936 CG GLN A 62 -10.684 4.681 -1.208 1.00 0.00 C ATOM 937 CD GLN A 62 -10.759 5.986 -1.975 1.00 0.00 C ATOM 938 OE1 GLN A 62 -10.487 7.091 -1.291 1.00 0.00 O flip ATOM 939 NE2 GLN A 62 -11.059 6.002 -3.169 1.00 0.00 N flip ATOM 0 H GLN A 62 -8.199 4.225 1.771 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.062 2.582 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.721 5.173 -0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.754 3.940 -1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.139 3.888 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.268 4.768 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.260 5.129 -3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.106 6.889 -3.671 1.00 0.00 H new ATOM 948 N ALA A 63 -8.186 1.013 -0.134 1.00 0.00 N ATOM 949 CA ALA A 63 -7.110 0.060 -0.379 1.00 0.00 C ATOM 950 C ALA A 63 -6.287 0.463 -1.598 1.00 0.00 C ATOM 951 O ALA A 63 -6.651 0.159 -2.733 1.00 0.00 O ATOM 952 CB ALA A 63 -7.677 -1.340 -0.563 1.00 0.00 C ATOM 0 H ALA A 63 -9.111 0.592 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.451 0.063 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.863 -2.041 -0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.216 -1.636 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.359 -1.347 -1.413 1.00 0.00 H new ATOM 958 N ALA A 64 -5.175 1.150 -1.354 1.00 0.00 N ATOM 959 CA ALA A 64 -4.299 1.593 -2.431 1.00 0.00 C ATOM 960 C ALA A 64 -3.734 0.406 -3.203 1.00 0.00 C ATOM 961 O ALA A 64 -3.571 0.465 -4.421 1.00 0.00 O ATOM 962 CB ALA A 64 -3.171 2.450 -1.876 1.00 0.00 C ATOM 0 H ALA A 64 -4.860 1.411 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.890 2.194 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.525 2.774 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.590 3.324 -1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.589 1.868 -1.162 1.00 0.00 H new ATOM 968 N GLY A 65 -3.436 -0.673 -2.485 1.00 0.00 N ATOM 969 CA GLY A 65 -2.891 -1.859 -3.120 1.00 0.00 C ATOM 970 C GLY A 65 -2.129 -2.739 -2.148 1.00 0.00 C ATOM 971 O GLY A 65 -1.877 -2.345 -1.010 1.00 0.00 O ATOM 0 H GLY A 65 -3.562 -0.747 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.702 -2.434 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.228 -1.560 -3.932 1.00 0.00 H new ATOM 975 N LYS A 66 -1.764 -3.934 -2.597 1.00 0.00 N ATOM 976 CA LYS A 66 -1.027 -4.874 -1.760 1.00 0.00 C ATOM 977 C LYS A 66 0.475 -4.625 -1.855 1.00 0.00 C ATOM 978 O LYS A 66 0.960 -4.064 -2.839 1.00 0.00 O ATOM 979 CB LYS A 66 -1.343 -6.313 -2.173 1.00 0.00 C ATOM 980 CG LYS A 66 -2.607 -6.864 -1.537 1.00 0.00 C ATOM 981 CD LYS A 66 -2.800 -8.336 -1.863 1.00 0.00 C ATOM 982 CE LYS A 66 -4.224 -8.788 -1.578 1.00 0.00 C ATOM 983 NZ LYS A 66 -4.581 -10.013 -2.345 1.00 0.00 N ATOM 0 H LYS A 66 -1.966 -4.275 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.338 -4.723 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.443 -6.357 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.502 -6.952 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.558 -6.733 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.469 -6.297 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.565 -8.511 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.103 -8.934 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.337 -8.982 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.917 -7.986 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.559 -10.289 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.498 -9.821 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.936 -10.786 -2.085 1.00 0.00 H new ATOM 997 N ILE A 67 1.207 -5.046 -0.829 1.00 0.00 N ATOM 998 CA ILE A 67 2.653 -4.871 -0.800 1.00 0.00 C ATOM 999 C ILE A 67 3.316 -5.569 -1.982 1.00 0.00 C ATOM 1000 O ILE A 67 3.198 -6.784 -2.145 1.00 0.00 O ATOM 1001 CB ILE A 67 3.259 -5.413 0.508 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.051 -4.412 1.646 1.00 0.00 C ATOM 1003 CG2 ILE A 67 4.740 -5.711 0.322 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.926 -5.061 3.007 1.00 0.00 C ATOM 0 H ILE A 67 0.822 -5.511 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 67 2.842 -3.799 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 67 2.751 -6.341 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.887 -3.713 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.152 -3.829 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.154 -6.093 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.865 -6.457 -0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.263 -4.797 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.781 -4.291 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.073 -5.739 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.835 -5.621 3.228 1.00 0.00 H new ATOM 1016 N PHE A 68 4.015 -4.794 -2.805 1.00 0.00 N ATOM 1017 CA PHE A 68 4.698 -5.338 -3.973 1.00 0.00 C ATOM 1018 C PHE A 68 6.055 -5.918 -3.587 1.00 0.00 C ATOM 1019 O PHE A 68 6.528 -6.876 -4.199 1.00 0.00 O ATOM 1020 CB PHE A 68 4.878 -4.252 -5.036 1.00 0.00 C ATOM 1021 CG PHE A 68 5.720 -4.688 -6.201 1.00 0.00 C ATOM 1022 CD1 PHE A 68 5.192 -5.508 -7.185 1.00 0.00 C ATOM 1023 CD2 PHE A 68 7.038 -4.277 -6.312 1.00 0.00 C ATOM 1024 CE1 PHE A 68 5.965 -5.912 -8.258 1.00 0.00 C ATOM 1025 CE2 PHE A 68 7.816 -4.677 -7.383 1.00 0.00 C ATOM 1026 CZ PHE A 68 7.278 -5.495 -8.357 1.00 0.00 C ATOM 0 H PHE A 68 4.123 -3.787 -2.684 1.00 0.00 H new ATOM 0 HA PHE A 68 4.083 -6.139 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.898 -3.946 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.335 -3.376 -4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.165 -5.835 -7.113 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.463 -3.637 -5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.543 -6.553 -9.018 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.843 -4.350 -7.458 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.883 -5.808 -9.195 1.00 0.00 H new ATOM 1036 N GLU A 69 6.676 -5.331 -2.569 1.00 0.00 N ATOM 1037 CA GLU A 69 7.979 -5.789 -2.103 1.00 0.00 C ATOM 1038 C GLU A 69 8.411 -5.024 -0.855 1.00 0.00 C ATOM 1039 O GLU A 69 8.061 -3.857 -0.679 1.00 0.00 O ATOM 1040 CB GLU A 69 9.027 -5.622 -3.205 1.00 0.00 C ATOM 1041 CG GLU A 69 10.449 -5.887 -2.739 1.00 0.00 C ATOM 1042 CD GLU A 69 11.357 -6.343 -3.865 1.00 0.00 C ATOM 1043 OE1 GLU A 69 11.203 -7.496 -4.320 1.00 0.00 O ATOM 1044 OE2 GLU A 69 12.221 -5.549 -4.290 1.00 0.00 O ATOM 0 H GLU A 69 6.298 -4.538 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 69 7.894 -6.846 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.790 -6.300 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.967 -4.608 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.856 -4.979 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.436 -6.647 -1.958 1.00 0.00 H new ATOM 1051 N ILE A 70 9.171 -5.690 0.007 1.00 0.00 N ATOM 1052 CA ILE A 70 9.651 -5.074 1.237 1.00 0.00 C ATOM 1053 C ILE A 70 11.167 -5.189 1.355 1.00 0.00 C ATOM 1054 O ILE A 70 11.733 -6.271 1.195 1.00 0.00 O ATOM 1055 CB ILE A 70 9.001 -5.713 2.478 1.00 0.00 C ATOM 1056 CG1 ILE A 70 7.477 -5.720 2.336 1.00 0.00 C ATOM 1057 CG2 ILE A 70 9.417 -4.969 3.738 1.00 0.00 C ATOM 1058 CD1 ILE A 70 6.793 -6.743 3.215 1.00 0.00 C ATOM 0 H ILE A 70 9.468 -6.657 -0.124 1.00 0.00 H new ATOM 0 HA ILE A 70 9.371 -4.021 1.192 1.00 0.00 H new ATOM 0 HB ILE A 70 9.345 -6.744 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.093 -4.729 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.218 -5.916 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.949 -5.433 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.501 -5.011 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.100 -3.929 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.715 -6.691 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 70 7.149 -7.740 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.022 -6.536 4.260 1.00 0.00 H new ATOM 1070 N PHE A 71 11.820 -4.067 1.638 1.00 0.00 N ATOM 1071 CA PHE A 71 13.271 -4.041 1.779 1.00 0.00 C ATOM 1072 C PHE A 71 13.688 -3.160 2.953 1.00 0.00 C ATOM 1073 O PHE A 71 12.871 -2.439 3.523 1.00 0.00 O ATOM 1074 CB PHE A 71 13.921 -3.534 0.490 1.00 0.00 C ATOM 1075 CG PHE A 71 13.450 -2.168 0.078 1.00 0.00 C ATOM 1076 CD1 PHE A 71 14.039 -1.030 0.604 1.00 0.00 C ATOM 1077 CD2 PHE A 71 12.417 -2.024 -0.834 1.00 0.00 C ATOM 1078 CE1 PHE A 71 13.608 0.228 0.227 1.00 0.00 C ATOM 1079 CE2 PHE A 71 11.982 -0.768 -1.215 1.00 0.00 C ATOM 1080 CZ PHE A 71 12.577 0.359 -0.683 1.00 0.00 C ATOM 0 H PHE A 71 11.367 -3.163 1.774 1.00 0.00 H new ATOM 0 HA PHE A 71 13.610 -5.059 1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.003 -3.512 0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.713 -4.239 -0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.844 -1.127 1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.947 -2.902 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 71 14.077 1.107 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.177 -0.668 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.237 1.341 -0.978 1.00 0.00 H new ATOM 1090 N GLY A 72 14.968 -3.226 3.310 1.00 0.00 N ATOM 1091 CA GLY A 72 15.472 -2.431 4.414 1.00 0.00 C ATOM 1092 C GLY A 72 15.691 -3.254 5.668 1.00 0.00 C ATOM 1093 O GLY A 72 15.738 -4.484 5.629 1.00 0.00 O ATOM 0 H GLY A 72 15.664 -3.816 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.412 -1.963 4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.769 -1.626 4.629 1.00 0.00 H new ATOM 1097 N PRO A 73 15.832 -2.569 6.813 1.00 0.00 N ATOM 1098 CA PRO A 73 16.052 -3.225 8.105 1.00 0.00 C ATOM 1099 C PRO A 73 14.817 -3.975 8.592 1.00 0.00 C ATOM 1100 O PRO A 73 13.897 -4.244 7.820 1.00 0.00 O ATOM 1101 CB PRO A 73 16.374 -2.059 9.044 1.00 0.00 C ATOM 1102 CG PRO A 73 15.718 -0.877 8.418 1.00 0.00 C ATOM 1103 CD PRO A 73 15.788 -1.102 6.933 1.00 0.00 C ATOM 0 HA PRO A 73 16.839 -3.977 8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 73 15.989 -2.241 10.047 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.450 -1.911 9.138 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.684 -0.783 8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.227 0.045 8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.922 -0.683 6.422 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.672 -0.636 6.497 1.00 0.00 H new ATOM 1111 N VAL A 74 14.803 -4.311 9.878 1.00 0.00 N ATOM 1112 CA VAL A 74 13.680 -5.029 10.468 1.00 0.00 C ATOM 1113 C VAL A 74 12.864 -4.120 11.381 1.00 0.00 C ATOM 1114 O VAL A 74 11.775 -4.483 11.822 1.00 0.00 O ATOM 1115 CB VAL A 74 14.157 -6.253 11.274 1.00 0.00 C ATOM 1116 CG1 VAL A 74 14.896 -5.811 12.528 1.00 0.00 C ATOM 1117 CG2 VAL A 74 12.980 -7.149 11.627 1.00 0.00 C ATOM 0 H VAL A 74 15.557 -4.097 10.531 1.00 0.00 H new ATOM 0 HA VAL A 74 13.053 -5.368 9.643 1.00 0.00 H new ATOM 0 HB VAL A 74 14.849 -6.826 10.657 1.00 0.00 H new ATOM 0 HG11 VAL A 74 15.225 -6.688 13.085 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.763 -5.213 12.248 1.00 0.00 H new ATOM 0 HG13 VAL A 74 14.230 -5.215 13.152 1.00 0.00 H new ATOM 0 HG21 VAL A 74 13.335 -8.008 12.196 1.00 0.00 H new ATOM 0 HG22 VAL A 74 12.263 -6.588 12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 74 12.498 -7.494 10.712 1.00 0.00 H new ATOM 1127 N ALA A 75 13.400 -2.936 11.659 1.00 0.00 N ATOM 1128 CA ALA A 75 12.721 -1.973 12.517 1.00 0.00 C ATOM 1129 C ALA A 75 12.227 -0.775 11.714 1.00 0.00 C ATOM 1130 O ALA A 75 11.187 -0.193 12.023 1.00 0.00 O ATOM 1131 CB ALA A 75 13.647 -1.516 13.634 1.00 0.00 C ATOM 0 H ALA A 75 14.302 -2.621 11.303 1.00 0.00 H new ATOM 0 HA ALA A 75 11.854 -2.465 12.957 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.127 -0.797 14.267 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.947 -2.376 14.233 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.532 -1.047 13.204 1.00 0.00 H new ATOM 1137 N HIS A 76 12.980 -0.409 10.681 1.00 0.00 N ATOM 1138 CA HIS A 76 12.619 0.721 9.833 1.00 0.00 C ATOM 1139 C HIS A 76 12.680 0.335 8.358 1.00 0.00 C ATOM 1140 O HIS A 76 13.305 1.011 7.540 1.00 0.00 O ATOM 1141 CB HIS A 76 13.548 1.905 10.102 1.00 0.00 C ATOM 1142 CG HIS A 76 14.959 1.503 10.401 1.00 0.00 C ATOM 1143 ND1 HIS A 76 15.453 0.569 11.247 1.00 0.00 N flip ATOM 1144 CD2 HIS A 76 16.052 2.089 9.799 1.00 0.00 C flip ATOM 1145 CE1 HIS A 76 16.822 0.606 11.140 1.00 0.00 C flip ATOM 1146 NE2 HIS A 76 17.158 1.531 10.260 1.00 0.00 N flip ATOM 0 H HIS A 76 13.844 -0.879 10.411 1.00 0.00 H new ATOM 0 HA HIS A 76 11.596 1.011 10.072 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.543 2.565 9.234 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.157 2.480 10.942 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.011 2.880 9.065 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.511 -0.020 11.687 1.00 0.00 H new ATOM 0 HE2 HIS A 76 18.109 1.774 9.983 1.00 0.00 H new ATOM 1154 N PRO A 77 12.018 -0.778 8.009 1.00 0.00 N ATOM 1155 CA PRO A 77 11.983 -1.278 6.631 1.00 0.00 C ATOM 1156 C PRO A 77 11.162 -0.383 5.710 1.00 0.00 C ATOM 1157 O PRO A 77 10.686 0.676 6.119 1.00 0.00 O ATOM 1158 CB PRO A 77 11.321 -2.652 6.770 1.00 0.00 C ATOM 1159 CG PRO A 77 10.501 -2.554 8.010 1.00 0.00 C ATOM 1160 CD PRO A 77 11.252 -1.632 8.931 1.00 0.00 C ATOM 0 HA PRO A 77 12.977 -1.311 6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.702 -2.883 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 77 12.066 -3.444 6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.508 -2.163 7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 77 10.364 -3.535 8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.575 -1.046 9.553 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.907 -2.184 9.605 1.00 0.00 H new ATOM 1168 N PHE A 78 11.000 -0.814 4.463 1.00 0.00 N ATOM 1169 CA PHE A 78 10.237 -0.051 3.483 1.00 0.00 C ATOM 1170 C PHE A 78 9.320 -0.965 2.676 1.00 0.00 C ATOM 1171 O PHE A 78 9.763 -1.968 2.115 1.00 0.00 O ATOM 1172 CB PHE A 78 11.182 0.702 2.544 1.00 0.00 C ATOM 1173 CG PHE A 78 12.296 1.413 3.257 1.00 0.00 C ATOM 1174 CD1 PHE A 78 13.427 0.724 3.664 1.00 0.00 C ATOM 1175 CD2 PHE A 78 12.211 2.770 3.521 1.00 0.00 C ATOM 1176 CE1 PHE A 78 14.454 1.375 4.321 1.00 0.00 C ATOM 1177 CE2 PHE A 78 13.235 3.427 4.177 1.00 0.00 C ATOM 1178 CZ PHE A 78 14.357 2.729 4.578 1.00 0.00 C ATOM 0 H PHE A 78 11.387 -1.688 4.108 1.00 0.00 H new ATOM 0 HA PHE A 78 9.620 0.669 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.610 -0.002 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 78 10.607 1.428 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.507 -0.335 3.465 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.335 3.321 3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.330 0.826 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.158 4.486 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.157 3.241 5.092 1.00 0.00 H new ATOM 1188 N TYR A 79 8.041 -0.612 2.622 1.00 0.00 N ATOM 1189 CA TYR A 79 7.060 -1.401 1.886 1.00 0.00 C ATOM 1190 C TYR A 79 6.745 -0.760 0.538 1.00 0.00 C ATOM 1191 O TYR A 79 6.537 0.450 0.446 1.00 0.00 O ATOM 1192 CB TYR A 79 5.777 -1.550 2.705 1.00 0.00 C ATOM 1193 CG TYR A 79 6.015 -2.001 4.128 1.00 0.00 C ATOM 1194 CD1 TYR A 79 6.412 -1.097 5.106 1.00 0.00 C ATOM 1195 CD2 TYR A 79 5.842 -3.330 4.496 1.00 0.00 C ATOM 1196 CE1 TYR A 79 6.632 -1.505 6.408 1.00 0.00 C ATOM 1197 CE2 TYR A 79 6.058 -3.746 5.795 1.00 0.00 C ATOM 1198 CZ TYR A 79 6.453 -2.829 6.747 1.00 0.00 C ATOM 1199 OH TYR A 79 6.670 -3.239 8.043 1.00 0.00 O ATOM 0 H TYR A 79 7.659 0.216 3.079 1.00 0.00 H new ATOM 0 HA TYR A 79 7.486 -2.388 1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.252 -0.595 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.122 -2.267 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.551 -0.058 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.533 -4.050 3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.942 -0.790 7.156 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.919 -4.783 6.064 1.00 0.00 H new ATOM 0 HH TYR A 79 6.499 -4.201 8.115 1.00 0.00 H new ATOM 1209 N VAL A 80 6.712 -1.581 -0.507 1.00 0.00 N ATOM 1210 CA VAL A 80 6.421 -1.097 -1.851 1.00 0.00 C ATOM 1211 C VAL A 80 4.977 -1.392 -2.241 1.00 0.00 C ATOM 1212 O VAL A 80 4.351 -2.305 -1.701 1.00 0.00 O ATOM 1213 CB VAL A 80 7.362 -1.730 -2.892 1.00 0.00 C ATOM 1214 CG1 VAL A 80 7.156 -1.092 -4.257 1.00 0.00 C ATOM 1215 CG2 VAL A 80 8.811 -1.602 -2.447 1.00 0.00 C ATOM 0 H VAL A 80 6.883 -2.585 -0.448 1.00 0.00 H new ATOM 0 HA VAL A 80 6.578 -0.018 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 80 7.123 -2.790 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.830 -1.553 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.125 -1.241 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.366 -0.024 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.463 -2.055 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.065 -0.548 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.945 -2.111 -1.493 1.00 0.00 H new ATOM 1225 N LEU A 81 4.453 -0.614 -3.182 1.00 0.00 N ATOM 1226 CA LEU A 81 3.082 -0.793 -3.646 1.00 0.00 C ATOM 1227 C LEU A 81 3.049 -1.122 -5.135 1.00 0.00 C ATOM 1228 O LEU A 81 3.774 -0.523 -5.930 1.00 0.00 O ATOM 1229 CB LEU A 81 2.262 0.470 -3.374 1.00 0.00 C ATOM 1230 CG LEU A 81 1.703 0.615 -1.958 1.00 0.00 C ATOM 1231 CD1 LEU A 81 0.656 1.716 -1.908 1.00 0.00 C ATOM 1232 CD2 LEU A 81 1.115 -0.705 -1.480 1.00 0.00 C ATOM 0 H LEU A 81 4.957 0.147 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 81 2.646 -1.628 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.887 1.338 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.429 0.497 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 81 2.520 0.889 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.269 1.805 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.108 2.662 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.161 1.472 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.722 -0.584 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.310 -1.008 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.892 -1.470 -1.477 1.00 0.00 H new ATOM 1244 N ARG A 82 2.203 -2.077 -5.506 1.00 0.00 N ATOM 1245 CA ARG A 82 2.075 -2.486 -6.900 1.00 0.00 C ATOM 1246 C ARG A 82 1.165 -1.530 -7.665 1.00 0.00 C ATOM 1247 O ARG A 82 0.245 -0.942 -7.096 1.00 0.00 O ATOM 1248 CB ARG A 82 1.525 -3.911 -6.988 1.00 0.00 C ATOM 1249 CG ARG A 82 1.435 -4.442 -8.409 1.00 0.00 C ATOM 1250 CD ARG A 82 1.095 -5.924 -8.429 1.00 0.00 C ATOM 1251 NE ARG A 82 2.292 -6.760 -8.413 1.00 0.00 N ATOM 1252 CZ ARG A 82 2.281 -8.054 -8.113 1.00 0.00 C ATOM 1253 NH1 ARG A 82 1.141 -8.657 -7.805 1.00 0.00 N ATOM 1254 NH2 ARG A 82 3.412 -8.748 -8.120 1.00 0.00 N ATOM 0 H ARG A 82 1.596 -2.582 -4.861 1.00 0.00 H new ATOM 0 HA ARG A 82 3.066 -2.458 -7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.161 -4.574 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.534 -3.937 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.676 -3.886 -8.959 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.383 -4.278 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.473 -6.165 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.507 -6.149 -9.319 1.00 0.00 H new ATOM 0 HE ARG A 82 3.186 -6.327 -8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.269 -8.127 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.136 -9.651 -7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.291 -8.288 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.402 -9.742 -7.889 1.00 0.00 H new ATOM 1268 N PHE A 83 1.428 -1.378 -8.959 1.00 0.00 N ATOM 1269 CA PHE A 83 0.634 -0.493 -9.802 1.00 0.00 C ATOM 1270 C PHE A 83 0.920 -0.748 -11.279 1.00 0.00 C ATOM 1271 O PHE A 83 2.059 -0.641 -11.730 1.00 0.00 O ATOM 1272 CB PHE A 83 0.926 0.970 -9.460 1.00 0.00 C ATOM 1273 CG PHE A 83 0.297 1.421 -8.173 1.00 0.00 C ATOM 1274 CD1 PHE A 83 -1.073 1.610 -8.086 1.00 0.00 C ATOM 1275 CD2 PHE A 83 1.075 1.658 -7.052 1.00 0.00 C ATOM 1276 CE1 PHE A 83 -1.656 2.026 -6.903 1.00 0.00 C ATOM 1277 CE2 PHE A 83 0.498 2.073 -5.866 1.00 0.00 C ATOM 1278 CZ PHE A 83 -0.869 2.258 -5.792 1.00 0.00 C ATOM 0 H PHE A 83 2.185 -1.857 -9.446 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.419 -0.700 -9.612 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.005 1.112 -9.397 1.00 0.00 H new ATOM 0 HB3 PHE A 83 0.568 1.603 -10.272 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.693 1.430 -8.952 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.144 1.517 -7.105 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.725 2.169 -6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.115 2.252 -4.998 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.322 2.583 -4.867 1.00 0.00 H new ATOM 1288 N ASN A 84 -0.125 -1.087 -12.028 1.00 0.00 N ATOM 1289 CA ASN A 84 0.012 -1.358 -13.454 1.00 0.00 C ATOM 1290 C ASN A 84 0.871 -0.294 -14.131 1.00 0.00 C ATOM 1291 O ASN A 84 1.774 -0.610 -14.905 1.00 0.00 O ATOM 1292 CB ASN A 84 -1.365 -1.417 -14.119 1.00 0.00 C ATOM 1293 CG ASN A 84 -2.372 -0.507 -13.443 1.00 0.00 C ATOM 1294 OD1 ASN A 84 -2.126 0.686 -13.265 1.00 0.00 O ATOM 1295 ND2 ASN A 84 -3.513 -1.069 -13.061 1.00 0.00 N ATOM 0 H ASN A 84 -1.076 -1.180 -11.671 1.00 0.00 H new ATOM 0 HA ASN A 84 0.505 -2.324 -13.568 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -1.271 -1.135 -15.168 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.733 -2.443 -14.096 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.229 -0.508 -12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -3.674 -2.062 -13.229 1.00 0.00 H new ATOM 1302 N SER A 85 0.583 0.969 -13.832 1.00 0.00 N ATOM 1303 CA SER A 85 1.326 2.081 -14.413 1.00 0.00 C ATOM 1304 C SER A 85 1.386 3.259 -13.446 1.00 0.00 C ATOM 1305 O SER A 85 0.823 3.208 -12.352 1.00 0.00 O ATOM 1306 CB SER A 85 0.681 2.520 -15.729 1.00 0.00 C ATOM 1307 OG SER A 85 1.032 1.643 -16.786 1.00 0.00 O ATOM 0 H SER A 85 -0.160 1.247 -13.191 1.00 0.00 H new ATOM 0 HA SER A 85 2.343 1.743 -14.610 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.403 2.544 -15.616 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.998 3.534 -15.973 1.00 0.00 H new ATOM 0 HG SER A 85 1.447 0.836 -16.417 1.00 0.00 H new ATOM 1313 N SER A 86 2.074 4.319 -13.856 1.00 0.00 N ATOM 1314 CA SER A 86 2.212 5.510 -13.026 1.00 0.00 C ATOM 1315 C SER A 86 0.856 6.168 -12.790 1.00 0.00 C ATOM 1316 O SER A 86 0.477 6.445 -11.652 1.00 0.00 O ATOM 1317 CB SER A 86 3.168 6.507 -13.682 1.00 0.00 C ATOM 1318 OG SER A 86 4.519 6.147 -13.449 1.00 0.00 O ATOM 0 H SER A 86 2.545 4.378 -14.759 1.00 0.00 H new ATOM 0 HA SER A 86 2.621 5.206 -12.063 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.978 6.546 -14.755 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.982 7.507 -13.289 1.00 0.00 H new ATOM 0 HG SER A 86 4.582 5.177 -13.323 1.00 0.00 H new ATOM 1324 N ASP A 87 0.129 6.415 -13.874 1.00 0.00 N ATOM 1325 CA ASP A 87 -1.186 7.040 -13.787 1.00 0.00 C ATOM 1326 C ASP A 87 -2.007 6.423 -12.659 1.00 0.00 C ATOM 1327 O ASP A 87 -2.746 7.120 -11.962 1.00 0.00 O ATOM 1328 CB ASP A 87 -1.931 6.896 -15.115 1.00 0.00 C ATOM 1329 CG ASP A 87 -2.902 8.034 -15.360 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -2.469 9.080 -15.887 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -4.095 7.880 -15.023 1.00 0.00 O ATOM 0 H ASP A 87 0.428 6.192 -14.823 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.045 8.099 -13.572 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.209 6.856 -15.931 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.474 5.951 -15.123 1.00 0.00 H new ATOM 1336 N HIS A 88 -1.874 5.112 -12.485 1.00 0.00 N ATOM 1337 CA HIS A 88 -2.604 4.401 -11.442 1.00 0.00 C ATOM 1338 C HIS A 88 -2.467 5.115 -10.100 1.00 0.00 C ATOM 1339 O HIS A 88 -3.461 5.382 -9.425 1.00 0.00 O ATOM 1340 CB HIS A 88 -2.095 2.964 -11.322 1.00 0.00 C ATOM 1341 CG HIS A 88 -3.141 1.994 -10.868 1.00 0.00 C ATOM 1342 ND1 HIS A 88 -2.968 0.626 -10.910 1.00 0.00 N ATOM 1343 CD2 HIS A 88 -4.377 2.200 -10.357 1.00 0.00 C ATOM 1344 CE1 HIS A 88 -4.054 0.033 -10.448 1.00 0.00 C ATOM 1345 NE2 HIS A 88 -4.924 0.966 -10.105 1.00 0.00 N ATOM 0 H HIS A 88 -1.267 4.521 -13.053 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.658 4.383 -11.719 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.708 2.642 -12.289 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -1.261 2.940 -10.621 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -4.846 3.157 -10.180 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.205 -1.033 -10.365 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.852 0.797 -9.716 1.00 0.00 H new ATOM 1353 N ILE A 89 -1.231 5.419 -9.721 1.00 0.00 N ATOM 1354 CA ILE A 89 -0.965 6.102 -8.461 1.00 0.00 C ATOM 1355 C ILE A 89 -1.556 7.508 -8.462 1.00 0.00 C ATOM 1356 O ILE A 89 -2.404 7.836 -7.633 1.00 0.00 O ATOM 1357 CB ILE A 89 0.546 6.193 -8.177 1.00 0.00 C ATOM 1358 CG1 ILE A 89 1.133 4.795 -7.974 1.00 0.00 C ATOM 1359 CG2 ILE A 89 0.804 7.064 -6.957 1.00 0.00 C ATOM 1360 CD1 ILE A 89 1.563 4.127 -9.262 1.00 0.00 C ATOM 0 H ILE A 89 -0.398 5.203 -10.268 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.439 5.512 -7.677 1.00 0.00 H new ATOM 0 HB ILE A 89 1.036 6.651 -9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.991 4.864 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.392 4.167 -7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.876 7.119 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.416 8.066 -7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.305 6.632 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.969 3.140 -9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.703 4.026 -9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.327 4.733 -9.749 1.00 0.00 H new ATOM 1372 N GLU A 90 -1.103 8.334 -9.400 1.00 0.00 N ATOM 1373 CA GLU A 90 -1.588 9.704 -9.510 1.00 0.00 C ATOM 1374 C GLU A 90 -3.066 9.790 -9.140 1.00 0.00 C ATOM 1375 O GLU A 90 -3.469 10.634 -8.340 1.00 0.00 O ATOM 1376 CB GLU A 90 -1.375 10.232 -10.930 1.00 0.00 C ATOM 1377 CG GLU A 90 0.079 10.527 -11.259 1.00 0.00 C ATOM 1378 CD GLU A 90 0.233 11.640 -12.277 1.00 0.00 C ATOM 1379 OE1 GLU A 90 -0.234 12.765 -12.003 1.00 0.00 O ATOM 1380 OE2 GLU A 90 0.821 11.385 -13.349 1.00 0.00 O ATOM 0 H GLU A 90 -0.401 8.078 -10.094 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.020 10.320 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.758 9.501 -11.642 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.960 11.142 -11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.606 10.800 -10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.552 9.622 -11.641 1.00 0.00 H new ATOM 1387 N SER A 91 -3.869 8.909 -9.729 1.00 0.00 N ATOM 1388 CA SER A 91 -5.303 8.887 -9.466 1.00 0.00 C ATOM 1389 C SER A 91 -5.579 8.675 -7.980 1.00 0.00 C ATOM 1390 O SER A 91 -6.386 9.385 -7.379 1.00 0.00 O ATOM 1391 CB SER A 91 -5.976 7.784 -10.284 1.00 0.00 C ATOM 1392 OG SER A 91 -7.383 7.954 -10.310 1.00 0.00 O ATOM 0 H SER A 91 -3.551 8.201 -10.391 1.00 0.00 H new ATOM 0 HA SER A 91 -5.717 9.851 -9.761 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.587 7.793 -11.302 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.732 6.811 -9.858 1.00 0.00 H new ATOM 0 HG SER A 91 -7.789 7.237 -10.841 1.00 0.00 H new ATOM 1398 N LYS A 92 -4.903 7.693 -7.393 1.00 0.00 N ATOM 1399 CA LYS A 92 -5.073 7.386 -5.978 1.00 0.00 C ATOM 1400 C LYS A 92 -4.769 8.608 -5.116 1.00 0.00 C ATOM 1401 O LYS A 92 -5.349 8.784 -4.046 1.00 0.00 O ATOM 1402 CB LYS A 92 -4.162 6.225 -5.575 1.00 0.00 C ATOM 1403 CG LYS A 92 -4.339 4.986 -6.435 1.00 0.00 C ATOM 1404 CD LYS A 92 -5.493 4.127 -5.946 1.00 0.00 C ATOM 1405 CE LYS A 92 -5.335 2.679 -6.385 1.00 0.00 C ATOM 1406 NZ LYS A 92 -6.650 1.992 -6.515 1.00 0.00 N ATOM 0 H LYS A 92 -4.232 7.096 -7.876 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.112 7.098 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.124 6.552 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.357 5.966 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.517 5.282 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.419 4.401 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -5.548 4.175 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.432 4.524 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.811 2.644 -7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.717 2.146 -5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.499 1.008 -6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.139 2.003 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.231 2.485 -7.223 1.00 0.00 H new ATOM 1420 N GLY A 93 -3.856 9.450 -5.592 1.00 0.00 N ATOM 1421 CA GLY A 93 -3.493 10.645 -4.852 1.00 0.00 C ATOM 1422 C GLY A 93 -2.259 10.443 -3.995 1.00 0.00 C ATOM 1423 O GLY A 93 -1.771 11.383 -3.367 1.00 0.00 O ATOM 0 H GLY A 93 -3.362 9.326 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.316 11.462 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.328 10.943 -4.217 1.00 0.00 H new ATOM 1427 N ILE A 94 -1.754 9.214 -3.968 1.00 0.00 N ATOM 1428 CA ILE A 94 -0.570 8.893 -3.180 1.00 0.00 C ATOM 1429 C ILE A 94 0.644 9.676 -3.669 1.00 0.00 C ATOM 1430 O ILE A 94 0.827 9.873 -4.870 1.00 0.00 O ATOM 1431 CB ILE A 94 -0.251 7.387 -3.233 1.00 0.00 C ATOM 1432 CG1 ILE A 94 -1.494 6.567 -2.880 1.00 0.00 C ATOM 1433 CG2 ILE A 94 0.895 7.055 -2.288 1.00 0.00 C ATOM 1434 CD1 ILE A 94 -1.530 5.209 -3.545 1.00 0.00 C ATOM 0 H ILE A 94 -2.146 8.425 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.790 9.174 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 94 0.054 7.131 -4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.537 6.435 -1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.383 7.128 -3.168 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.109 5.987 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.782 7.616 -2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.616 7.323 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.438 4.683 -3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.518 5.334 -4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.659 4.630 -3.237 1.00 0.00 H new ATOM 1446 N LYS A 95 1.472 10.119 -2.729 1.00 0.00 N ATOM 1447 CA LYS A 95 2.672 10.878 -3.062 1.00 0.00 C ATOM 1448 C LYS A 95 3.587 11.008 -1.849 1.00 0.00 C ATOM 1449 O LYS A 95 3.247 10.563 -0.752 1.00 0.00 O ATOM 1450 CB LYS A 95 2.293 12.268 -3.579 1.00 0.00 C ATOM 1451 CG LYS A 95 1.239 12.964 -2.737 1.00 0.00 C ATOM 1452 CD LYS A 95 1.807 13.434 -1.408 1.00 0.00 C ATOM 1453 CE LYS A 95 0.771 14.196 -0.596 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.211 14.402 0.811 1.00 0.00 N ATOM 0 H LYS A 95 1.334 9.965 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 95 3.208 10.339 -3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.187 12.890 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.928 12.179 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.840 13.817 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.407 12.283 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.158 12.574 -0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.672 14.073 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.583 15.163 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.172 13.649 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.665 13.779 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.223 14.178 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.052 15.393 1.083 1.00 0.00 H new ATOM 1468 N ILE A 96 4.749 11.620 -2.053 1.00 0.00 N ATOM 1469 CA ILE A 96 5.711 11.810 -0.975 1.00 0.00 C ATOM 1470 C ILE A 96 5.076 12.532 0.208 1.00 0.00 C ATOM 1471 O ILE A 96 4.249 13.427 0.033 1.00 0.00 O ATOM 1472 CB ILE A 96 6.939 12.609 -1.451 1.00 0.00 C ATOM 1473 CG1 ILE A 96 7.604 11.906 -2.636 1.00 0.00 C ATOM 1474 CG2 ILE A 96 7.929 12.788 -0.310 1.00 0.00 C ATOM 1475 CD1 ILE A 96 8.252 10.589 -2.271 1.00 0.00 C ATOM 0 H ILE A 96 5.047 11.992 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 96 6.033 10.817 -0.661 1.00 0.00 H new ATOM 0 HB ILE A 96 6.609 13.595 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.857 11.732 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.358 12.567 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.791 13.354 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.449 13.327 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.257 11.811 0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.703 10.147 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.022 10.759 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.498 9.911 -1.871 1.00 0.00 H new ATOM 1487 N LYS A 97 5.470 12.139 1.415 1.00 0.00 N ATOM 1488 CA LYS A 97 4.943 12.750 2.629 1.00 0.00 C ATOM 1489 C LYS A 97 3.476 12.385 2.829 1.00 0.00 C ATOM 1490 O LYS A 97 2.689 13.190 3.328 1.00 0.00 O ATOM 1491 CB LYS A 97 5.097 14.272 2.568 1.00 0.00 C ATOM 1492 CG LYS A 97 6.497 14.727 2.193 1.00 0.00 C ATOM 1493 CD LYS A 97 7.390 14.848 3.416 1.00 0.00 C ATOM 1494 CE LYS A 97 8.779 15.345 3.045 1.00 0.00 C ATOM 1495 NZ LYS A 97 8.860 16.831 3.064 1.00 0.00 N ATOM 0 H LYS A 97 6.153 11.399 1.578 1.00 0.00 H new ATOM 0 HA LYS A 97 5.513 12.367 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.388 14.672 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.834 14.695 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.935 14.018 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.444 15.689 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.937 15.533 4.132 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.469 13.878 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.510 14.933 3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.042 14.980 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.822 17.130 2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.181 17.224 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.634 17.179 4.018 1.00 0.00 H new ATOM 1509 N GLU A 98 3.115 11.167 2.438 1.00 0.00 N ATOM 1510 CA GLU A 98 1.742 10.696 2.575 1.00 0.00 C ATOM 1511 C GLU A 98 1.661 9.534 3.560 1.00 0.00 C ATOM 1512 O GLU A 98 2.105 8.423 3.267 1.00 0.00 O ATOM 1513 CB GLU A 98 1.188 10.266 1.215 1.00 0.00 C ATOM 1514 CG GLU A 98 -0.325 10.131 1.190 1.00 0.00 C ATOM 1515 CD GLU A 98 -1.032 11.402 1.618 1.00 0.00 C ATOM 1516 OE1 GLU A 98 -1.237 12.286 0.760 1.00 0.00 O ATOM 1517 OE2 GLU A 98 -1.380 11.513 2.813 1.00 0.00 O ATOM 0 H GLU A 98 3.754 10.489 2.024 1.00 0.00 H new ATOM 0 HA GLU A 98 1.140 11.519 2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.492 10.993 0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.634 9.312 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.645 9.863 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.624 9.315 1.847 1.00 0.00 H new ATOM 1524 N THR A 99 1.091 9.797 4.732 1.00 0.00 N ATOM 1525 CA THR A 99 0.953 8.775 5.762 1.00 0.00 C ATOM 1526 C THR A 99 -0.101 7.744 5.375 1.00 0.00 C ATOM 1527 O THR A 99 -1.269 8.080 5.179 1.00 0.00 O ATOM 1528 CB THR A 99 0.575 9.394 7.121 1.00 0.00 C ATOM 1529 OG1 THR A 99 1.288 10.620 7.316 1.00 0.00 O ATOM 1530 CG2 THR A 99 0.887 8.434 8.259 1.00 0.00 C ATOM 0 H THR A 99 0.717 10.710 4.991 1.00 0.00 H new ATOM 0 HA THR A 99 1.922 8.284 5.852 1.00 0.00 H new ATOM 0 HB THR A 99 -0.497 9.593 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.041 11.008 8.181 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.612 8.893 9.208 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.320 7.513 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.953 8.207 8.262 1.00 0.00 H new ATOM 1538 N MET A 100 0.318 6.487 5.268 1.00 0.00 N ATOM 1539 CA MET A 100 -0.592 5.406 4.907 1.00 0.00 C ATOM 1540 C MET A 100 -0.952 4.567 6.129 1.00 0.00 C ATOM 1541 O MET A 100 -0.340 4.703 7.189 1.00 0.00 O ATOM 1542 CB MET A 100 0.038 4.519 3.832 1.00 0.00 C ATOM 1543 CG MET A 100 0.496 5.286 2.602 1.00 0.00 C ATOM 1544 SD MET A 100 0.420 4.295 1.097 1.00 0.00 S ATOM 1545 CE MET A 100 -1.126 4.864 0.395 1.00 0.00 C ATOM 0 H MET A 100 1.282 6.192 5.426 1.00 0.00 H new ATOM 0 HA MET A 100 -1.506 5.850 4.512 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.891 3.993 4.261 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.684 3.761 3.529 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.125 6.173 2.480 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.519 5.631 2.754 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.245 4.451 -0.607 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.954 4.536 1.024 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.122 5.953 0.340 1.00 0.00 H new ATOM 1555 N TYR A 101 -1.947 3.702 5.974 1.00 0.00 N ATOM 1556 CA TYR A 101 -2.390 2.843 7.066 1.00 0.00 C ATOM 1557 C TYR A 101 -2.854 1.488 6.539 1.00 0.00 C ATOM 1558 O TYR A 101 -2.891 1.258 5.330 1.00 0.00 O ATOM 1559 CB TYR A 101 -3.522 3.515 7.844 1.00 0.00 C ATOM 1560 CG TYR A 101 -3.322 5.000 8.042 1.00 0.00 C ATOM 1561 CD1 TYR A 101 -3.454 5.887 6.981 1.00 0.00 C ATOM 1562 CD2 TYR A 101 -2.999 5.518 9.291 1.00 0.00 C ATOM 1563 CE1 TYR A 101 -3.271 7.245 7.157 1.00 0.00 C ATOM 1564 CE2 TYR A 101 -2.816 6.874 9.477 1.00 0.00 C ATOM 1565 CZ TYR A 101 -2.953 7.734 8.407 1.00 0.00 C ATOM 1566 OH TYR A 101 -2.770 9.085 8.587 1.00 0.00 O ATOM 0 H TYR A 101 -2.463 3.577 5.103 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.544 2.682 7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.462 3.351 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.616 3.036 8.819 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.704 5.508 6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -2.889 4.848 10.131 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.376 7.920 6.321 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.567 7.259 10.455 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.553 9.263 9.526 1.00 0.00 H new ATOM 1576 N PHE A 102 -3.208 0.594 7.457 1.00 0.00 N ATOM 1577 CA PHE A 102 -3.670 -0.739 7.087 1.00 0.00 C ATOM 1578 C PHE A 102 -4.847 -1.168 7.958 1.00 0.00 C ATOM 1579 O PHE A 102 -5.217 -0.475 8.905 1.00 0.00 O ATOM 1580 CB PHE A 102 -2.529 -1.751 7.217 1.00 0.00 C ATOM 1581 CG PHE A 102 -1.785 -1.652 8.517 1.00 0.00 C ATOM 1582 CD1 PHE A 102 -2.448 -1.809 9.724 1.00 0.00 C ATOM 1583 CD2 PHE A 102 -0.422 -1.403 8.534 1.00 0.00 C ATOM 1584 CE1 PHE A 102 -1.766 -1.718 10.922 1.00 0.00 C ATOM 1585 CE2 PHE A 102 0.266 -1.311 9.729 1.00 0.00 C ATOM 1586 CZ PHE A 102 -0.407 -1.469 10.925 1.00 0.00 C ATOM 0 H PHE A 102 -3.184 0.768 8.462 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.002 -0.707 6.049 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.934 -2.758 7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.829 -1.604 6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.510 -2.005 9.728 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.109 -1.279 7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.295 -1.841 11.856 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.328 -1.116 9.728 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.128 -1.398 11.860 1.00 0.00 H new ATOM 1596 N ALA A 103 -5.432 -2.315 7.629 1.00 0.00 N ATOM 1597 CA ALA A 103 -6.566 -2.838 8.381 1.00 0.00 C ATOM 1598 C ALA A 103 -6.580 -4.362 8.363 1.00 0.00 C ATOM 1599 O ALA A 103 -6.150 -4.985 7.392 1.00 0.00 O ATOM 1600 CB ALA A 103 -7.869 -2.288 7.820 1.00 0.00 C ATOM 0 H ALA A 103 -5.139 -2.900 6.846 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.465 -2.515 9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.708 -2.687 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.866 -1.200 7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.968 -2.583 6.775 1.00 0.00 H new