USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 864 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 120 SER OG : rot 180:sc= -0.121 USER MOD Set 1.2: A 124 GLN : amide:sc= -2.82 K(o=-2.9,f=-3.9!) USER MOD Set 2.1: A 69 ASN : amide:sc= -8.74! C(o=-15!,f=-11!) USER MOD Set 2.2: A 77 GLN : amide:sc= -6.5! C(o=-15!,f=-14!) USER MOD Set 3.1: A 36 HIS : no HD1:sc= -5.58! C(o=-8.3!,f=-3.6!) USER MOD Set 3.2: A 55 GLN : amide:sc= -2.76! K(o=-8.3!,f=-3.6) USER MOD Set 4.1: A 20 LYS NZ :NH3+ 161:sc= 1.38 (180deg=-0.112) USER MOD Set 4.2: A 44 GLN : amide:sc= -0.303 K(o=1.1,f=-4.6!) USER MOD Single : A 19 GLN : amide:sc= -1.76! C(o=-1.8!,f=-6.1!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.883 USER MOD Single : A 24 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 28 ASN : amide:sc= -6.36! C(o=-6.4!,f=-10!) USER MOD Single : A 29 HIS : no HD1:sc= -0.545 K(o=-0.55,f=-1.2!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= -0.0609 (180deg=-0.345) USER MOD Single : A 45 GLN : amide:sc= -0.266 K(o=-0.27,f=-1) USER MOD Single : A 48 THR OG1 : rot -83:sc= 1.11 USER MOD Single : A 58 GLN : amide:sc= -0.343 K(o=-0.34,f=-2.9!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0591 K(o=-0.059,f=-2.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -123:sc= 0 (180deg=-1.49) USER MOD Single : A 81 ASN : amide:sc= -4.2! C(o=-4.2!,f=-10!) USER MOD Single : A 85 CYS SG : rot 62:sc= 0.0527 USER MOD Single : A 87 ASN : amide:sc= 0.0425 X(o=0.042,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -139:sc= -0.28 (180deg=-2.31!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0349 X(o=-0.035,f=-0.32) USER MOD Single : A 108 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.92) USER MOD Single : A 110 LYS NZ :NH3+ 150:sc= -0.164 (180deg=-1.22) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.347 16.667 -5.207 1.00 0.00 N ATOM 202 CA GLY A 15 1.700 16.962 -3.942 1.00 0.00 C ATOM 203 C GLY A 15 1.067 15.736 -3.314 1.00 0.00 C ATOM 204 O GLY A 15 0.838 14.731 -3.989 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.432 17.382 -3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.935 17.723 -4.098 1.00 0.00 H new ATOM 208 N LEU A 16 0.784 15.816 -2.019 1.00 0.00 N ATOM 209 CA LEU A 16 0.175 14.703 -1.299 1.00 0.00 C ATOM 210 C LEU A 16 -0.820 13.960 -2.185 1.00 0.00 C ATOM 211 O LEU A 16 -0.682 12.760 -2.418 1.00 0.00 O ATOM 212 CB LEU A 16 -0.528 15.209 -0.037 1.00 0.00 C ATOM 213 CG LEU A 16 0.383 15.736 1.072 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.443 16.284 2.225 1.00 0.00 C ATOM 215 CD2 LEU A 16 1.319 14.640 1.559 1.00 0.00 C ATOM 0 H LEU A 16 0.966 16.640 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 16 0.967 14.011 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.217 16.004 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.130 14.397 0.370 1.00 0.00 H new ATOM 0 HG LEU A 16 0.986 16.548 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.222 16.655 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.072 17.099 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.072 15.492 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.960 15.033 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.733 13.808 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.936 14.293 0.730 1.00 0.00 H new ATOM 227 N GLU A 17 -1.821 14.683 -2.678 1.00 0.00 N ATOM 228 CA GLU A 17 -2.837 14.092 -3.540 1.00 0.00 C ATOM 229 C GLU A 17 -2.198 13.404 -4.743 1.00 0.00 C ATOM 230 O GLU A 17 -2.581 12.295 -5.113 1.00 0.00 O ATOM 231 CB GLU A 17 -3.821 15.163 -4.015 1.00 0.00 C ATOM 232 CG GLU A 17 -3.148 16.373 -4.641 1.00 0.00 C ATOM 233 CD GLU A 17 -4.108 17.526 -4.861 1.00 0.00 C ATOM 234 OE1 GLU A 17 -4.272 18.347 -3.934 1.00 0.00 O ATOM 235 OE2 GLU A 17 -4.696 17.608 -5.960 1.00 0.00 O ATOM 0 H GLU A 17 -1.950 15.678 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.377 13.344 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.503 14.721 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.425 15.491 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.331 16.703 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.707 16.085 -5.595 1.00 0.00 H new ATOM 242 N ASP A 18 -1.221 14.072 -5.348 1.00 0.00 N ATOM 243 CA ASP A 18 -0.528 13.526 -6.509 1.00 0.00 C ATOM 244 C ASP A 18 0.156 12.207 -6.163 1.00 0.00 C ATOM 245 O ASP A 18 0.265 11.315 -7.003 1.00 0.00 O ATOM 246 CB ASP A 18 0.504 14.527 -7.030 1.00 0.00 C ATOM 247 CG ASP A 18 -0.126 15.630 -7.858 1.00 0.00 C ATOM 248 OD1 ASP A 18 -1.316 15.936 -7.631 1.00 0.00 O ATOM 249 OD2 ASP A 18 0.570 16.187 -8.732 1.00 0.00 O ATOM 0 H ASP A 18 -0.892 14.991 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.267 13.338 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.036 14.968 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.244 14.001 -7.634 1.00 0.00 H new ATOM 254 N GLN A 19 0.614 12.091 -4.920 1.00 0.00 N ATOM 255 CA GLN A 19 1.288 10.882 -4.464 1.00 0.00 C ATOM 256 C GLN A 19 0.360 9.675 -4.553 1.00 0.00 C ATOM 257 O GLN A 19 0.701 8.658 -5.158 1.00 0.00 O ATOM 258 CB GLN A 19 1.779 11.057 -3.027 1.00 0.00 C ATOM 259 CG GLN A 19 2.692 12.258 -2.838 1.00 0.00 C ATOM 260 CD GLN A 19 3.634 12.096 -1.661 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.205 11.812 -0.542 1.00 0.00 O ATOM 262 NE2 GLN A 19 4.926 12.276 -1.908 1.00 0.00 N ATOM 0 H GLN A 19 0.530 12.820 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 19 2.145 10.707 -5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.917 11.159 -2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.310 10.156 -2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.275 12.413 -3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.085 13.152 -2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.237 12.510 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.607 12.180 -1.155 1.00 0.00 H new ATOM 271 N LYS A 20 -0.816 9.793 -3.946 1.00 0.00 N ATOM 272 CA LYS A 20 -1.795 8.713 -3.957 1.00 0.00 C ATOM 273 C LYS A 20 -1.775 7.973 -5.291 1.00 0.00 C ATOM 274 O LYS A 20 -1.722 6.744 -5.328 1.00 0.00 O ATOM 275 CB LYS A 20 -3.197 9.265 -3.689 1.00 0.00 C ATOM 276 CG LYS A 20 -4.308 8.268 -3.970 1.00 0.00 C ATOM 277 CD LYS A 20 -5.656 8.956 -4.100 1.00 0.00 C ATOM 278 CE LYS A 20 -6.802 7.964 -3.985 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.087 8.637 -3.648 1.00 0.00 N ATOM 0 H LYS A 20 -1.114 10.627 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.531 8.009 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.260 9.583 -2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.353 10.152 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.086 7.724 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.350 7.533 -3.166 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.753 9.717 -3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.713 9.469 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.911 7.424 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.567 7.225 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.881 8.010 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.111 8.850 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.168 9.522 -4.189 1.00 0.00 H new ATOM 293 N ARG A 21 -1.817 8.730 -6.382 1.00 0.00 N ATOM 294 CA ARG A 21 -1.803 8.146 -7.718 1.00 0.00 C ATOM 295 C ARG A 21 -0.541 7.316 -7.935 1.00 0.00 C ATOM 296 O ARG A 21 -0.614 6.118 -8.212 1.00 0.00 O ATOM 297 CB ARG A 21 -1.893 9.244 -8.779 1.00 0.00 C ATOM 298 CG ARG A 21 -1.916 8.714 -10.204 1.00 0.00 C ATOM 299 CD ARG A 21 -0.512 8.594 -10.776 1.00 0.00 C ATOM 300 NE ARG A 21 -0.053 9.850 -11.364 1.00 0.00 N ATOM 301 CZ ARG A 21 -0.621 10.417 -12.422 1.00 0.00 C ATOM 302 NH1 ARG A 21 -1.665 9.845 -13.005 1.00 0.00 N ATOM 303 NH2 ARG A 21 -0.145 11.561 -12.899 1.00 0.00 N ATOM 0 H ARG A 21 -1.861 9.749 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.669 7.490 -7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.794 9.833 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.044 9.918 -8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.402 7.739 -10.223 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.510 9.379 -10.831 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.176 8.290 -9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.495 7.811 -11.534 1.00 0.00 H new ATOM 0 HE ARG A 21 0.748 10.317 -10.939 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.034 8.967 -12.641 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.099 10.283 -13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.658 12.005 -12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.582 11.996 -13.712 1.00 0.00 H new ATOM 317 N ILE A 22 0.614 7.960 -7.808 1.00 0.00 N ATOM 318 CA ILE A 22 1.891 7.281 -7.990 1.00 0.00 C ATOM 319 C ILE A 22 1.876 5.900 -7.344 1.00 0.00 C ATOM 320 O ILE A 22 2.235 4.905 -7.974 1.00 0.00 O ATOM 321 CB ILE A 22 3.053 8.100 -7.398 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.145 9.466 -8.083 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.364 7.341 -7.542 1.00 0.00 C ATOM 324 CD1 ILE A 22 3.948 10.481 -7.301 1.00 0.00 C ATOM 0 H ILE A 22 0.692 8.951 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 22 2.042 7.175 -9.064 1.00 0.00 H new ATOM 0 HB ILE A 22 2.862 8.258 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.595 9.340 -9.068 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.138 9.854 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.176 7.933 -7.119 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.294 6.391 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.563 7.155 -8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.971 11.425 -7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.487 10.636 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.966 10.115 -7.167 1.00 0.00 H new ATOM 336 N TYR A 23 1.458 5.847 -6.085 1.00 0.00 N ATOM 337 CA TYR A 23 1.396 4.588 -5.352 1.00 0.00 C ATOM 338 C TYR A 23 0.326 3.670 -5.936 1.00 0.00 C ATOM 339 O TYR A 23 0.587 2.504 -6.235 1.00 0.00 O ATOM 340 CB TYR A 23 1.110 4.848 -3.872 1.00 0.00 C ATOM 341 CG TYR A 23 2.229 5.569 -3.156 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.549 5.162 -3.301 1.00 0.00 C ATOM 343 CD2 TYR A 23 1.966 6.658 -2.335 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.575 5.817 -2.648 1.00 0.00 C ATOM 345 CE2 TYR A 23 2.986 7.321 -1.679 1.00 0.00 C ATOM 346 CZ TYR A 23 4.288 6.897 -1.839 1.00 0.00 C ATOM 347 OH TYR A 23 5.306 7.554 -1.187 1.00 0.00 O ATOM 0 H TYR A 23 1.157 6.662 -5.550 1.00 0.00 H new ATOM 0 HA TYR A 23 2.363 4.094 -5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.196 5.436 -3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.925 3.896 -3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.777 4.318 -3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.947 6.992 -2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.596 5.486 -2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.764 8.166 -1.045 1.00 0.00 H new ATOM 0 HH TYR A 23 4.934 8.291 -0.659 1.00 0.00 H new ATOM 357 N THR A 24 -0.880 4.205 -6.095 1.00 0.00 N ATOM 358 CA THR A 24 -1.991 3.436 -6.642 1.00 0.00 C ATOM 359 C THR A 24 -1.537 2.572 -7.814 1.00 0.00 C ATOM 360 O THR A 24 -1.680 1.349 -7.787 1.00 0.00 O ATOM 361 CB THR A 24 -3.134 4.355 -7.110 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.701 5.042 -5.988 1.00 0.00 O ATOM 363 CG2 THR A 24 -4.216 3.555 -7.820 1.00 0.00 C ATOM 0 H THR A 24 -1.113 5.168 -5.853 1.00 0.00 H new ATOM 0 HA THR A 24 -2.356 2.794 -5.840 1.00 0.00 H new ATOM 0 HB THR A 24 -2.722 5.081 -7.811 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.151 5.823 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.013 4.226 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.788 3.057 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.623 2.809 -7.138 1.00 0.00 H new ATOM 371 N ASP A 25 -0.990 3.214 -8.839 1.00 0.00 N ATOM 372 CA ASP A 25 -0.514 2.503 -10.020 1.00 0.00 C ATOM 373 C ASP A 25 0.575 1.501 -9.649 1.00 0.00 C ATOM 374 O ASP A 25 0.596 0.378 -10.153 1.00 0.00 O ATOM 375 CB ASP A 25 0.019 3.493 -11.057 1.00 0.00 C ATOM 376 CG ASP A 25 0.338 2.829 -12.382 1.00 0.00 C ATOM 377 OD1 ASP A 25 -0.423 1.928 -12.792 1.00 0.00 O ATOM 378 OD2 ASP A 25 1.350 3.209 -13.008 1.00 0.00 O ATOM 0 H ASP A 25 -0.865 4.226 -8.877 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.355 1.957 -10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.719 4.280 -11.217 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.918 3.973 -10.669 1.00 0.00 H new ATOM 383 N TRP A 26 1.477 1.916 -8.767 1.00 0.00 N ATOM 384 CA TRP A 26 2.570 1.054 -8.329 1.00 0.00 C ATOM 385 C TRP A 26 2.039 -0.278 -7.812 1.00 0.00 C ATOM 386 O TRP A 26 2.575 -1.338 -8.136 1.00 0.00 O ATOM 387 CB TRP A 26 3.389 1.748 -7.240 1.00 0.00 C ATOM 388 CG TRP A 26 4.479 0.887 -6.677 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.704 0.649 -7.231 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.440 0.149 -5.450 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.430 -0.193 -6.423 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.677 -0.513 -5.324 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.483 -0.015 -4.446 1.00 0.00 C ATOM 394 CZ2 TRP A 26 5.978 -1.326 -4.235 1.00 0.00 C ATOM 395 CZ3 TRP A 26 3.783 -0.822 -3.365 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.022 -1.469 -3.266 1.00 0.00 C ATOM 0 H TRP A 26 1.474 2.843 -8.341 1.00 0.00 H new ATOM 0 HA TRP A 26 3.212 0.859 -9.188 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.829 2.657 -7.650 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.723 2.052 -6.433 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.051 1.062 -8.167 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.376 -0.526 -6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.526 0.480 -4.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.932 -1.826 -4.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.050 -0.956 -2.583 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.227 -2.093 -2.408 1.00 0.00 H new ATOM 407 N ALA A 27 0.982 -0.218 -7.009 1.00 0.00 N ATOM 408 CA ALA A 27 0.378 -1.421 -6.449 1.00 0.00 C ATOM 409 C ALA A 27 -0.432 -2.169 -7.503 1.00 0.00 C ATOM 410 O ALA A 27 -0.432 -3.398 -7.541 1.00 0.00 O ATOM 411 CB ALA A 27 -0.500 -1.065 -5.259 1.00 0.00 C ATOM 0 H ALA A 27 0.526 0.651 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 27 1.179 -2.078 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.945 -1.972 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.105 -0.581 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.290 -0.386 -5.580 1.00 0.00 H new ATOM 417 N ASN A 28 -1.122 -1.418 -8.355 1.00 0.00 N ATOM 418 CA ASN A 28 -1.938 -2.011 -9.409 1.00 0.00 C ATOM 419 C ASN A 28 -1.150 -3.068 -10.177 1.00 0.00 C ATOM 420 O ASN A 28 -1.713 -4.055 -10.651 1.00 0.00 O ATOM 421 CB ASN A 28 -2.432 -0.929 -10.370 1.00 0.00 C ATOM 422 CG ASN A 28 -3.761 -0.338 -9.941 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.735 -0.361 -10.694 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.806 0.197 -8.727 1.00 0.00 N ATOM 0 H ASN A 28 -1.133 -0.398 -8.337 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.797 -2.492 -8.942 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.688 -0.135 -10.433 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.531 -1.352 -11.369 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.673 0.611 -8.384 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.974 0.194 -8.137 1.00 0.00 H new ATOM 431 N HIS A 29 0.157 -2.855 -10.295 1.00 0.00 N ATOM 432 CA HIS A 29 1.023 -3.790 -11.004 1.00 0.00 C ATOM 433 C HIS A 29 1.063 -5.139 -10.294 1.00 0.00 C ATOM 434 O HIS A 29 0.817 -6.180 -10.903 1.00 0.00 O ATOM 435 CB HIS A 29 2.437 -3.220 -11.121 1.00 0.00 C ATOM 436 CG HIS A 29 3.496 -4.269 -11.265 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.371 -5.353 -12.108 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.704 -4.395 -10.668 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.457 -6.101 -12.022 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.282 -5.542 -11.156 1.00 0.00 N ATOM 0 H HIS A 29 0.639 -2.043 -9.909 1.00 0.00 H new ATOM 0 HA HIS A 29 0.615 -3.938 -12.004 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.480 -2.551 -11.981 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.651 -2.618 -10.238 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.134 -3.720 -9.943 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.639 -7.015 -12.568 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.199 -5.903 -10.892 1.00 0.00 H new ATOM 449 N TYR A 30 1.375 -5.114 -9.003 1.00 0.00 N ATOM 450 CA TYR A 30 1.451 -6.336 -8.210 1.00 0.00 C ATOM 451 C TYR A 30 0.105 -7.053 -8.186 1.00 0.00 C ATOM 452 O TYR A 30 0.033 -8.255 -7.928 1.00 0.00 O ATOM 453 CB TYR A 30 1.897 -6.016 -6.783 1.00 0.00 C ATOM 454 CG TYR A 30 3.333 -5.551 -6.687 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.384 -6.451 -6.808 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.638 -4.212 -6.475 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.698 -6.032 -6.721 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.948 -3.784 -6.387 1.00 0.00 C ATOM 459 CZ TYR A 30 5.975 -4.697 -6.511 1.00 0.00 C ATOM 460 OH TYR A 30 7.281 -4.274 -6.423 1.00 0.00 O ATOM 0 H TYR A 30 1.579 -4.261 -8.483 1.00 0.00 H new ATOM 0 HA TYR A 30 2.185 -6.995 -8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.246 -5.244 -6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.769 -6.904 -6.164 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.171 -7.497 -6.973 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.837 -3.494 -6.377 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.503 -6.745 -6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.168 -2.740 -6.222 1.00 0.00 H new ATOM 0 HH TYR A 30 7.302 -3.305 -6.275 1.00 0.00 H new ATOM 470 N LEU A 31 -0.961 -6.307 -8.456 1.00 0.00 N ATOM 471 CA LEU A 31 -2.307 -6.870 -8.466 1.00 0.00 C ATOM 472 C LEU A 31 -2.640 -7.459 -9.833 1.00 0.00 C ATOM 473 O LEU A 31 -3.229 -8.535 -9.929 1.00 0.00 O ATOM 474 CB LEU A 31 -3.332 -5.797 -8.096 1.00 0.00 C ATOM 475 CG LEU A 31 -3.502 -5.517 -6.603 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.559 -4.447 -6.376 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.864 -6.794 -5.858 1.00 0.00 C ATOM 0 H LEU A 31 -0.919 -5.311 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.346 -7.670 -7.727 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.049 -4.867 -8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.300 -6.092 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.553 -5.149 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.666 -4.262 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.258 -3.526 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.512 -4.785 -6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.981 -6.575 -4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.799 -7.192 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.071 -7.530 -5.992 1.00 0.00 H new ATOM 489 N ALA A 32 -2.258 -6.746 -10.888 1.00 0.00 N ATOM 490 CA ALA A 32 -2.512 -7.201 -12.249 1.00 0.00 C ATOM 491 C ALA A 32 -1.610 -8.375 -12.614 1.00 0.00 C ATOM 492 O ALA A 32 -1.964 -9.208 -13.449 1.00 0.00 O ATOM 493 CB ALA A 32 -2.316 -6.056 -13.233 1.00 0.00 C ATOM 0 H ALA A 32 -1.772 -5.851 -10.826 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.546 -7.541 -12.305 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.509 -6.410 -14.246 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.007 -5.248 -12.993 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.292 -5.690 -13.166 1.00 0.00 H new ATOM 499 N LYS A 33 -0.442 -8.435 -11.984 1.00 0.00 N ATOM 500 CA LYS A 33 0.512 -9.507 -12.242 1.00 0.00 C ATOM 501 C LYS A 33 0.011 -10.830 -11.672 1.00 0.00 C ATOM 502 O LYS A 33 0.165 -11.882 -12.292 1.00 0.00 O ATOM 503 CB LYS A 33 1.875 -9.162 -11.635 1.00 0.00 C ATOM 504 CG LYS A 33 1.997 -9.530 -10.166 1.00 0.00 C ATOM 505 CD LYS A 33 3.413 -9.323 -9.656 1.00 0.00 C ATOM 506 CE LYS A 33 4.369 -10.357 -10.231 1.00 0.00 C ATOM 507 NZ LYS A 33 5.623 -10.456 -9.434 1.00 0.00 N ATOM 0 H LYS A 33 -0.133 -7.754 -11.291 1.00 0.00 H new ATOM 0 HA LYS A 33 0.618 -9.613 -13.322 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.654 -9.678 -12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.054 -8.093 -11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.306 -8.925 -9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.707 -10.571 -10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.754 -8.323 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.421 -9.384 -8.568 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.878 -11.330 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.613 -10.094 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.248 -11.171 -9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.105 -9.534 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.393 -10.732 -8.458 1.00 0.00 H new ATOM 521 N SER A 34 -0.591 -10.769 -10.489 1.00 0.00 N ATOM 522 CA SER A 34 -1.114 -11.963 -9.835 1.00 0.00 C ATOM 523 C SER A 34 -2.518 -12.287 -10.336 1.00 0.00 C ATOM 524 O SER A 34 -3.315 -12.902 -9.629 1.00 0.00 O ATOM 525 CB SER A 34 -1.133 -11.772 -8.317 1.00 0.00 C ATOM 526 OG SER A 34 -0.999 -13.013 -7.645 1.00 0.00 O ATOM 0 H SER A 34 -0.729 -9.906 -9.964 1.00 0.00 H new ATOM 0 HA SER A 34 -0.458 -12.798 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.323 -11.105 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.065 -11.292 -8.019 1.00 0.00 H new ATOM 0 HG SER A 34 -1.013 -12.864 -6.677 1.00 0.00 H new ATOM 532 N GLY A 35 -2.814 -11.867 -11.562 1.00 0.00 N ATOM 533 CA GLY A 35 -4.121 -12.120 -12.138 1.00 0.00 C ATOM 534 C GLY A 35 -5.251 -11.736 -11.203 1.00 0.00 C ATOM 535 O GLY A 35 -6.085 -12.571 -10.850 1.00 0.00 O ATOM 0 H GLY A 35 -2.171 -11.356 -12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.218 -11.562 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.205 -13.177 -12.390 1.00 0.00 H new ATOM 539 N HIS A 36 -5.278 -10.470 -10.799 1.00 0.00 N ATOM 540 CA HIS A 36 -6.314 -9.978 -9.897 1.00 0.00 C ATOM 541 C HIS A 36 -7.439 -9.305 -10.678 1.00 0.00 C ATOM 542 O HIS A 36 -7.207 -8.358 -11.430 1.00 0.00 O ATOM 543 CB HIS A 36 -5.717 -8.995 -8.890 1.00 0.00 C ATOM 544 CG HIS A 36 -6.637 -8.669 -7.753 1.00 0.00 C ATOM 545 ND1 HIS A 36 -6.862 -9.527 -6.697 1.00 0.00 N ATOM 546 CD2 HIS A 36 -7.391 -7.571 -7.511 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.714 -8.972 -5.855 1.00 0.00 C ATOM 548 NE2 HIS A 36 -8.051 -7.784 -6.325 1.00 0.00 N ATOM 0 H HIS A 36 -4.595 -9.767 -11.081 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.729 -10.831 -9.359 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.793 -9.413 -8.491 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.452 -8.073 -9.408 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.461 -6.692 -8.134 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.074 -9.414 -4.938 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.696 -7.131 -5.880 1.00 0.00 H new ATOM 557 N LYS A 37 -8.658 -9.801 -10.495 1.00 0.00 N ATOM 558 CA LYS A 37 -9.820 -9.248 -11.181 1.00 0.00 C ATOM 559 C LYS A 37 -10.300 -7.972 -10.497 1.00 0.00 C ATOM 560 O LYS A 37 -11.484 -7.826 -10.195 1.00 0.00 O ATOM 561 CB LYS A 37 -10.953 -10.276 -11.219 1.00 0.00 C ATOM 562 CG LYS A 37 -10.756 -11.360 -12.265 1.00 0.00 C ATOM 563 CD LYS A 37 -9.927 -12.512 -11.725 1.00 0.00 C ATOM 564 CE LYS A 37 -9.212 -13.257 -12.842 1.00 0.00 C ATOM 565 NZ LYS A 37 -8.135 -12.433 -13.458 1.00 0.00 N ATOM 0 H LYS A 37 -8.867 -10.585 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.525 -9.003 -12.201 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.043 -10.742 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.893 -9.761 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.727 -11.732 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.265 -10.936 -13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.194 -12.132 -11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.572 -13.202 -11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.784 -14.178 -12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.933 -13.543 -13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.447 -13.056 -13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.550 -11.786 -14.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.655 -11.881 -12.719 1.00 0.00 H new ATOM 579 N ARG A 38 -9.373 -7.050 -10.258 1.00 0.00 N ATOM 580 CA ARG A 38 -9.702 -5.786 -9.610 1.00 0.00 C ATOM 581 C ARG A 38 -8.480 -4.874 -9.544 1.00 0.00 C ATOM 582 O ARG A 38 -7.360 -5.299 -9.828 1.00 0.00 O ATOM 583 CB ARG A 38 -10.241 -6.037 -8.200 1.00 0.00 C ATOM 584 CG ARG A 38 -10.617 -4.765 -7.457 1.00 0.00 C ATOM 585 CD ARG A 38 -11.319 -5.074 -6.144 1.00 0.00 C ATOM 586 NE ARG A 38 -12.681 -5.557 -6.352 1.00 0.00 N ATOM 587 CZ ARG A 38 -13.587 -5.641 -5.384 1.00 0.00 C ATOM 588 NH1 ARG A 38 -13.277 -5.276 -4.148 1.00 0.00 N ATOM 589 NH2 ARG A 38 -14.807 -6.091 -5.652 1.00 0.00 N ATOM 0 H ARG A 38 -8.388 -7.155 -10.503 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.471 -5.292 -10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.117 -6.683 -8.264 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.489 -6.576 -7.623 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.720 -4.178 -7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.267 -4.155 -8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.748 -5.824 -5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.343 -4.177 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.952 -5.846 -7.292 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.341 -4.930 -3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.975 -5.342 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.049 -6.373 -6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.502 -6.155 -4.908 1.00 0.00 H new ATOM 603 N LEU A 39 -8.705 -3.619 -9.170 1.00 0.00 N ATOM 604 CA LEU A 39 -7.623 -2.646 -9.068 1.00 0.00 C ATOM 605 C LEU A 39 -7.856 -1.693 -7.901 1.00 0.00 C ATOM 606 O LEU A 39 -8.921 -1.703 -7.282 1.00 0.00 O ATOM 607 CB LEU A 39 -7.497 -1.855 -10.371 1.00 0.00 C ATOM 608 CG LEU A 39 -6.865 -2.597 -11.549 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.930 -1.750 -12.810 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.426 -2.974 -11.231 1.00 0.00 C ATOM 0 H LEU A 39 -9.626 -3.252 -8.933 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.695 -3.189 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.492 -1.523 -10.668 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.908 -0.960 -10.173 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.430 -3.513 -11.722 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.475 -2.294 -13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.971 -1.531 -13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.390 -0.817 -12.650 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.992 -3.501 -12.080 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.849 -2.071 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.405 -3.620 -10.353 1.00 0.00 H new ATOM 622 N ILE A 40 -6.856 -0.868 -7.607 1.00 0.00 N ATOM 623 CA ILE A 40 -6.955 0.094 -6.517 1.00 0.00 C ATOM 624 C ILE A 40 -7.414 1.456 -7.026 1.00 0.00 C ATOM 625 O ILE A 40 -6.690 2.133 -7.756 1.00 0.00 O ATOM 626 CB ILE A 40 -5.608 0.258 -5.788 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.227 -1.042 -5.076 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.680 1.410 -4.797 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.740 -1.189 -4.841 1.00 0.00 C ATOM 0 H ILE A 40 -5.968 -0.847 -8.109 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.693 -0.297 -5.817 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.838 0.485 -6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.744 -1.087 -4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.578 -1.887 -5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.721 1.514 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.911 2.333 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.460 1.210 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.544 -2.133 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.217 -1.176 -5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.386 -0.364 -4.223 1.00 0.00 H new ATOM 641 N ARG A 41 -8.620 1.852 -6.634 1.00 0.00 N ATOM 642 CA ARG A 41 -9.176 3.134 -7.050 1.00 0.00 C ATOM 643 C ARG A 41 -8.698 4.257 -6.133 1.00 0.00 C ATOM 644 O ARG A 41 -8.027 5.190 -6.575 1.00 0.00 O ATOM 645 CB ARG A 41 -10.705 3.076 -7.049 1.00 0.00 C ATOM 646 CG ARG A 41 -11.366 4.435 -7.212 1.00 0.00 C ATOM 647 CD ARG A 41 -11.540 4.797 -8.679 1.00 0.00 C ATOM 648 NE ARG A 41 -10.343 5.426 -9.233 1.00 0.00 N ATOM 649 CZ ARG A 41 -10.220 5.774 -10.509 1.00 0.00 C ATOM 650 NH1 ARG A 41 -11.215 5.557 -11.358 1.00 0.00 N ATOM 651 NH2 ARG A 41 -9.100 6.343 -10.937 1.00 0.00 N ATOM 0 H ARG A 41 -9.231 1.304 -6.029 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.828 3.341 -8.062 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.036 2.421 -7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.043 2.627 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.338 4.429 -6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.763 5.196 -6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.774 3.898 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.388 5.473 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.559 5.608 -8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.078 5.122 -11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.118 5.825 -12.337 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.333 6.513 -10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.006 6.610 -11.917 1.00 0.00 H new ATOM 665 N ASP A 42 -9.049 4.160 -4.856 1.00 0.00 N ATOM 666 CA ASP A 42 -8.656 5.167 -3.876 1.00 0.00 C ATOM 667 C ASP A 42 -7.714 4.572 -2.834 1.00 0.00 C ATOM 668 O ASP A 42 -8.152 3.904 -1.896 1.00 0.00 O ATOM 669 CB ASP A 42 -9.892 5.752 -3.191 1.00 0.00 C ATOM 670 CG ASP A 42 -10.780 6.516 -4.152 1.00 0.00 C ATOM 671 OD1 ASP A 42 -11.609 5.875 -4.832 1.00 0.00 O ATOM 672 OD2 ASP A 42 -10.647 7.755 -4.225 1.00 0.00 O ATOM 0 H ASP A 42 -9.605 3.395 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.130 5.965 -4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.466 4.946 -2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.577 6.416 -2.386 1.00 0.00 H new ATOM 677 N LEU A 43 -6.420 4.817 -3.005 1.00 0.00 N ATOM 678 CA LEU A 43 -5.415 4.305 -2.080 1.00 0.00 C ATOM 679 C LEU A 43 -5.853 4.511 -0.633 1.00 0.00 C ATOM 680 O LEU A 43 -5.413 3.794 0.266 1.00 0.00 O ATOM 681 CB LEU A 43 -4.072 4.996 -2.321 1.00 0.00 C ATOM 682 CG LEU A 43 -2.834 4.247 -1.827 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.719 2.894 -2.513 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.579 5.075 -2.065 1.00 0.00 C ATOM 0 H LEU A 43 -6.042 5.367 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.303 3.236 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.963 5.171 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.097 5.973 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.938 4.081 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.832 2.376 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.604 2.298 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.638 3.038 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.708 4.526 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.470 5.273 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.659 6.020 -1.527 1.00 0.00 H new ATOM 696 N GLN A 44 -6.722 5.493 -0.417 1.00 0.00 N ATOM 697 CA GLN A 44 -7.219 5.791 0.921 1.00 0.00 C ATOM 698 C GLN A 44 -8.298 4.795 1.335 1.00 0.00 C ATOM 699 O GLN A 44 -8.344 4.360 2.485 1.00 0.00 O ATOM 700 CB GLN A 44 -7.776 7.215 0.976 1.00 0.00 C ATOM 701 CG GLN A 44 -6.743 8.284 0.655 1.00 0.00 C ATOM 702 CD GLN A 44 -7.374 9.596 0.232 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.886 9.722 -0.880 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.341 10.583 1.121 1.00 0.00 N ATOM 0 H GLN A 44 -7.096 6.095 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.385 5.707 1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.605 7.300 0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.181 7.400 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.116 8.452 1.530 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.090 7.926 -0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.906 10.435 2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.751 11.489 0.893 1.00 0.00 H new ATOM 713 N GLN A 45 -9.162 4.440 0.391 1.00 0.00 N ATOM 714 CA GLN A 45 -10.241 3.496 0.659 1.00 0.00 C ATOM 715 C GLN A 45 -9.761 2.059 0.488 1.00 0.00 C ATOM 716 O GLN A 45 -9.895 1.237 1.395 1.00 0.00 O ATOM 717 CB GLN A 45 -11.426 3.765 -0.271 1.00 0.00 C ATOM 718 CG GLN A 45 -12.089 5.113 -0.037 1.00 0.00 C ATOM 719 CD GLN A 45 -12.659 5.248 1.361 1.00 0.00 C ATOM 720 OE1 GLN A 45 -13.239 4.306 1.901 1.00 0.00 O ATOM 721 NE2 GLN A 45 -12.496 6.425 1.956 1.00 0.00 N ATOM 0 H GLN A 45 -9.137 4.791 -0.566 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.561 3.633 1.692 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.085 3.712 -1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.167 2.977 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.361 5.906 -0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.887 5.252 -0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.009 7.178 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.858 6.575 2.898 1.00 0.00 H new ATOM 730 N ASP A 46 -9.203 1.762 -0.681 1.00 0.00 N ATOM 731 CA ASP A 46 -8.703 0.423 -0.971 1.00 0.00 C ATOM 732 C ASP A 46 -7.949 -0.147 0.227 1.00 0.00 C ATOM 733 O ASP A 46 -7.821 -1.362 0.372 1.00 0.00 O ATOM 734 CB ASP A 46 -7.790 0.451 -2.198 1.00 0.00 C ATOM 735 CG ASP A 46 -8.568 0.525 -3.497 1.00 0.00 C ATOM 736 OD1 ASP A 46 -8.968 -0.541 -4.009 1.00 0.00 O ATOM 737 OD2 ASP A 46 -8.777 1.648 -4.001 1.00 0.00 O ATOM 0 H ASP A 46 -9.086 2.430 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.558 -0.220 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.120 1.308 -2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.165 -0.442 -2.203 1.00 0.00 H new ATOM 742 N VAL A 47 -7.450 0.740 1.082 1.00 0.00 N ATOM 743 CA VAL A 47 -6.708 0.326 2.267 1.00 0.00 C ATOM 744 C VAL A 47 -7.493 0.625 3.539 1.00 0.00 C ATOM 745 O VAL A 47 -6.927 1.047 4.548 1.00 0.00 O ATOM 746 CB VAL A 47 -5.339 1.027 2.345 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.571 0.848 1.044 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.514 2.503 2.671 1.00 0.00 C ATOM 0 H VAL A 47 -7.546 1.750 0.976 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.553 -0.750 2.184 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.761 0.567 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.607 1.350 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.413 -0.214 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.142 1.280 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.537 2.983 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.111 2.979 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.020 2.606 3.631 1.00 0.00 H new ATOM 758 N THR A 48 -8.803 0.403 3.485 1.00 0.00 N ATOM 759 CA THR A 48 -9.668 0.649 4.632 1.00 0.00 C ATOM 760 C THR A 48 -9.866 -0.620 5.453 1.00 0.00 C ATOM 761 O THR A 48 -10.016 -0.564 6.674 1.00 0.00 O ATOM 762 CB THR A 48 -11.044 1.185 4.194 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.514 0.454 3.055 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.966 2.666 3.856 1.00 0.00 C ATOM 0 H THR A 48 -9.288 0.053 2.659 1.00 0.00 H new ATOM 0 HA THR A 48 -9.173 1.402 5.246 1.00 0.00 H new ATOM 0 HB THR A 48 -11.741 1.055 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.122 0.831 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.950 3.022 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.636 3.223 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.256 2.817 3.043 1.00 0.00 H new ATOM 772 N ASP A 49 -9.867 -1.763 4.775 1.00 0.00 N ATOM 773 CA ASP A 49 -10.045 -3.047 5.443 1.00 0.00 C ATOM 774 C ASP A 49 -8.708 -3.761 5.613 1.00 0.00 C ATOM 775 O ASP A 49 -8.609 -4.749 6.340 1.00 0.00 O ATOM 776 CB ASP A 49 -11.011 -3.928 4.649 1.00 0.00 C ATOM 777 CG ASP A 49 -10.942 -3.665 3.157 1.00 0.00 C ATOM 778 OD1 ASP A 49 -11.671 -2.770 2.678 1.00 0.00 O ATOM 779 OD2 ASP A 49 -10.159 -4.352 2.469 1.00 0.00 O ATOM 0 H ASP A 49 -9.747 -1.826 3.764 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.464 -2.860 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.783 -4.976 4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.028 -3.754 4.999 1.00 0.00 H new ATOM 784 N GLY A 50 -7.682 -3.255 4.937 1.00 0.00 N ATOM 785 CA GLY A 50 -6.365 -3.858 5.026 1.00 0.00 C ATOM 786 C GLY A 50 -6.241 -5.109 4.178 1.00 0.00 C ATOM 787 O GLY A 50 -5.138 -5.604 3.947 1.00 0.00 O ATOM 0 H GLY A 50 -7.739 -2.438 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.615 -3.133 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.152 -4.105 6.066 1.00 0.00 H new ATOM 791 N VAL A 51 -7.376 -5.622 3.714 1.00 0.00 N ATOM 792 CA VAL A 51 -7.390 -6.823 2.888 1.00 0.00 C ATOM 793 C VAL A 51 -6.728 -6.570 1.538 1.00 0.00 C ATOM 794 O VAL A 51 -5.685 -7.147 1.228 1.00 0.00 O ATOM 795 CB VAL A 51 -8.827 -7.327 2.655 1.00 0.00 C ATOM 796 CG1 VAL A 51 -8.820 -8.579 1.792 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.521 -7.589 3.984 1.00 0.00 C ATOM 0 H VAL A 51 -8.298 -5.225 3.896 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.828 -7.585 3.428 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.384 -6.554 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.844 -8.921 1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.364 -8.354 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.248 -9.361 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.535 -7.944 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.967 -8.344 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.559 -6.666 4.563 1.00 0.00 H new ATOM 807 N LEU A 52 -7.339 -5.702 0.739 1.00 0.00 N ATOM 808 CA LEU A 52 -6.808 -5.370 -0.578 1.00 0.00 C ATOM 809 C LEU A 52 -5.378 -4.850 -0.474 1.00 0.00 C ATOM 810 O LEU A 52 -4.580 -5.005 -1.400 1.00 0.00 O ATOM 811 CB LEU A 52 -7.695 -4.327 -1.259 1.00 0.00 C ATOM 812 CG LEU A 52 -7.725 -4.366 -2.788 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.695 -3.327 -3.329 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.331 -4.142 -3.355 1.00 0.00 C ATOM 0 H LEU A 52 -8.202 -5.216 0.980 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.800 -6.279 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.714 -4.451 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.362 -3.337 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.068 -5.352 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.703 -3.369 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.696 -3.532 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.382 -2.334 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.372 -4.173 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.959 -3.169 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.662 -4.923 -2.995 1.00 0.00 H new ATOM 826 N LEU A 53 -5.060 -4.233 0.658 1.00 0.00 N ATOM 827 CA LEU A 53 -3.725 -3.690 0.885 1.00 0.00 C ATOM 828 C LEU A 53 -2.685 -4.805 0.930 1.00 0.00 C ATOM 829 O LEU A 53 -1.716 -4.794 0.172 1.00 0.00 O ATOM 830 CB LEU A 53 -3.692 -2.893 2.190 1.00 0.00 C ATOM 831 CG LEU A 53 -2.322 -2.750 2.855 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.272 -2.347 1.831 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.382 -1.736 3.988 1.00 0.00 C ATOM 0 H LEU A 53 -5.708 -4.096 1.434 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.483 -3.026 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.084 -1.895 1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.370 -3.367 2.899 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.040 -3.716 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.304 -2.250 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.210 -3.109 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.549 -1.393 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.398 -1.647 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.686 -0.767 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.104 -2.067 4.734 1.00 0.00 H new ATOM 845 N ALA A 54 -2.894 -5.767 1.823 1.00 0.00 N ATOM 846 CA ALA A 54 -1.978 -6.892 1.964 1.00 0.00 C ATOM 847 C ALA A 54 -1.818 -7.639 0.644 1.00 0.00 C ATOM 848 O ALA A 54 -0.732 -8.117 0.319 1.00 0.00 O ATOM 849 CB ALA A 54 -2.465 -7.836 3.053 1.00 0.00 C ATOM 0 H ALA A 54 -3.690 -5.790 2.460 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.002 -6.500 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.771 -8.671 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.519 -7.301 4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.454 -8.213 2.792 1.00 0.00 H new ATOM 855 N GLN A 55 -2.908 -7.736 -0.111 1.00 0.00 N ATOM 856 CA GLN A 55 -2.888 -8.427 -1.395 1.00 0.00 C ATOM 857 C GLN A 55 -1.650 -8.044 -2.199 1.00 0.00 C ATOM 858 O GLN A 55 -1.139 -8.842 -2.985 1.00 0.00 O ATOM 859 CB GLN A 55 -4.151 -8.100 -2.193 1.00 0.00 C ATOM 860 CG GLN A 55 -5.424 -8.648 -1.570 1.00 0.00 C ATOM 861 CD GLN A 55 -6.531 -8.852 -2.585 1.00 0.00 C ATOM 862 OE1 GLN A 55 -6.975 -9.976 -2.820 1.00 0.00 O ATOM 863 NE2 GLN A 55 -6.984 -7.762 -3.194 1.00 0.00 N ATOM 0 H GLN A 55 -3.815 -7.345 0.144 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.856 -9.499 -1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.240 -7.018 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.048 -8.502 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.205 -9.597 -1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.769 -7.963 -0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.587 -6.850 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.729 -7.837 -3.887 1.00 0.00 H new ATOM 872 N ILE A 56 -1.175 -6.820 -1.998 1.00 0.00 N ATOM 873 CA ILE A 56 0.003 -6.333 -2.705 1.00 0.00 C ATOM 874 C ILE A 56 1.276 -6.622 -1.916 1.00 0.00 C ATOM 875 O ILE A 56 2.271 -7.087 -2.473 1.00 0.00 O ATOM 876 CB ILE A 56 -0.087 -4.820 -2.975 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.265 -4.515 -3.903 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.214 -4.310 -3.576 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.563 -4.261 -3.169 1.00 0.00 C ATOM 0 H ILE A 56 -1.587 -6.147 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 56 0.040 -6.862 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.252 -4.306 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.023 -3.642 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.403 -5.351 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.134 -3.239 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.034 -4.498 -2.883 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.408 -4.827 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.354 -4.052 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.829 -5.142 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.443 -3.406 -2.503 1.00 0.00 H new ATOM 891 N ILE A 57 1.236 -6.346 -0.618 1.00 0.00 N ATOM 892 CA ILE A 57 2.385 -6.579 0.248 1.00 0.00 C ATOM 893 C ILE A 57 2.861 -8.025 0.153 1.00 0.00 C ATOM 894 O ILE A 57 4.061 -8.290 0.091 1.00 0.00 O ATOM 895 CB ILE A 57 2.058 -6.254 1.718 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.409 -4.873 1.825 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.318 -6.321 2.568 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.187 -4.419 3.251 1.00 0.00 C ATOM 0 H ILE A 57 0.420 -5.961 -0.142 1.00 0.00 H new ATOM 0 HA ILE A 57 3.178 -5.914 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 57 1.352 -6.996 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.038 -4.144 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.452 -4.889 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.071 -6.089 3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.742 -7.324 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.045 -5.598 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.724 -3.432 3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.533 -5.127 3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.144 -4.370 3.771 1.00 0.00 H new ATOM 910 N GLN A 58 1.912 -8.955 0.140 1.00 0.00 N ATOM 911 CA GLN A 58 2.235 -10.374 0.050 1.00 0.00 C ATOM 912 C GLN A 58 2.809 -10.716 -1.321 1.00 0.00 C ATOM 913 O GLN A 58 3.432 -11.762 -1.501 1.00 0.00 O ATOM 914 CB GLN A 58 0.990 -11.220 0.321 1.00 0.00 C ATOM 915 CG GLN A 58 0.450 -11.073 1.734 1.00 0.00 C ATOM 916 CD GLN A 58 -0.941 -11.656 1.891 1.00 0.00 C ATOM 917 OE1 GLN A 58 -1.798 -11.076 2.558 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.174 -12.809 1.274 1.00 0.00 N ATOM 0 H GLN A 58 0.914 -8.752 0.191 1.00 0.00 H new ATOM 0 HA GLN A 58 2.989 -10.598 0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.210 -10.941 -0.388 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.227 -12.268 0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.127 -11.567 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.430 -10.017 2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.435 -13.256 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.092 -13.248 1.343 1.00 0.00 H new ATOM 927 N VAL A 59 2.594 -9.827 -2.286 1.00 0.00 N ATOM 928 CA VAL A 59 3.090 -10.035 -3.641 1.00 0.00 C ATOM 929 C VAL A 59 4.448 -9.369 -3.837 1.00 0.00 C ATOM 930 O VAL A 59 5.316 -9.897 -4.532 1.00 0.00 O ATOM 931 CB VAL A 59 2.105 -9.486 -4.690 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.700 -9.587 -6.086 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.778 -10.225 -4.612 1.00 0.00 C ATOM 0 H VAL A 59 2.080 -8.956 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 59 3.193 -11.111 -3.779 1.00 0.00 H new ATOM 0 HB VAL A 59 1.922 -8.433 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.990 -9.194 -6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.623 -9.008 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.915 -10.631 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.094 -9.824 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.941 -11.286 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.347 -10.095 -3.619 1.00 0.00 H new ATOM 943 N VAL A 60 4.625 -8.205 -3.219 1.00 0.00 N ATOM 944 CA VAL A 60 5.877 -7.467 -3.323 1.00 0.00 C ATOM 945 C VAL A 60 6.892 -7.958 -2.298 1.00 0.00 C ATOM 946 O VAL A 60 8.101 -7.861 -2.509 1.00 0.00 O ATOM 947 CB VAL A 60 5.656 -5.955 -3.127 1.00 0.00 C ATOM 948 CG1 VAL A 60 4.875 -5.692 -1.849 1.00 0.00 C ATOM 949 CG2 VAL A 60 6.987 -5.220 -3.109 1.00 0.00 C ATOM 0 H VAL A 60 3.916 -7.753 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 60 6.265 -7.643 -4.326 1.00 0.00 H new ATOM 0 HB VAL A 60 5.071 -5.579 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.728 -4.619 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.905 -6.187 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.431 -6.082 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.812 -4.153 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.600 -5.597 -2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.505 -5.382 -4.054 1.00 0.00 H new ATOM 959 N ALA A 61 6.393 -8.486 -1.185 1.00 0.00 N ATOM 960 CA ALA A 61 7.256 -8.996 -0.127 1.00 0.00 C ATOM 961 C ALA A 61 7.476 -10.497 -0.273 1.00 0.00 C ATOM 962 O ALA A 61 8.359 -11.070 0.365 1.00 0.00 O ATOM 963 CB ALA A 61 6.662 -8.678 1.237 1.00 0.00 C ATOM 0 H ALA A 61 5.395 -8.572 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 61 8.225 -8.504 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.317 -9.065 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.563 -7.598 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.680 -9.143 1.324 1.00 0.00 H new ATOM 969 N ASN A 62 6.667 -11.130 -1.117 1.00 0.00 N ATOM 970 CA ASN A 62 6.773 -12.566 -1.345 1.00 0.00 C ATOM 971 C ASN A 62 6.531 -13.342 -0.054 1.00 0.00 C ATOM 972 O ASN A 62 7.287 -14.252 0.285 1.00 0.00 O ATOM 973 CB ASN A 62 8.152 -12.913 -1.911 1.00 0.00 C ATOM 974 CG ASN A 62 8.191 -12.841 -3.425 1.00 0.00 C ATOM 975 OD1 ASN A 62 8.653 -11.854 -3.999 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.704 -13.888 -4.080 1.00 0.00 N ATOM 0 H ASN A 62 5.931 -10.671 -1.654 1.00 0.00 H new ATOM 0 HA ASN A 62 6.008 -12.851 -2.068 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.894 -12.229 -1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.431 -13.917 -1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.703 -13.896 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.331 -14.684 -3.563 1.00 0.00 H new ATOM 983 N GLU A 63 5.472 -12.976 0.660 1.00 0.00 N ATOM 984 CA GLU A 63 5.131 -13.637 1.914 1.00 0.00 C ATOM 985 C GLU A 63 3.630 -13.558 2.180 1.00 0.00 C ATOM 986 O GLU A 63 2.928 -12.726 1.605 1.00 0.00 O ATOM 987 CB GLU A 63 5.900 -13.005 3.076 1.00 0.00 C ATOM 988 CG GLU A 63 6.191 -13.973 4.211 1.00 0.00 C ATOM 989 CD GLU A 63 5.019 -14.127 5.161 1.00 0.00 C ATOM 990 OE1 GLU A 63 4.276 -13.143 5.353 1.00 0.00 O ATOM 991 OE2 GLU A 63 4.846 -15.235 5.712 1.00 0.00 O ATOM 0 H GLU A 63 4.835 -12.226 0.392 1.00 0.00 H new ATOM 0 HA GLU A 63 5.413 -14.686 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.842 -12.603 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.327 -12.164 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.448 -14.948 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.061 -13.624 4.767 1.00 0.00 H new ATOM 998 N LYS A 64 3.144 -14.431 3.056 1.00 0.00 N ATOM 999 CA LYS A 64 1.727 -14.462 3.401 1.00 0.00 C ATOM 1000 C LYS A 64 1.504 -13.977 4.830 1.00 0.00 C ATOM 1001 O LYS A 64 2.188 -14.413 5.756 1.00 0.00 O ATOM 1002 CB LYS A 64 1.172 -15.879 3.239 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.305 -15.917 2.890 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.833 -17.341 2.854 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.194 -17.838 4.245 1.00 0.00 C ATOM 1006 NZ LYS A 64 -1.630 -19.262 4.230 1.00 0.00 N ATOM 0 H LYS A 64 3.711 -15.127 3.540 1.00 0.00 H new ATOM 0 HA LYS A 64 1.199 -13.792 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.734 -16.394 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.332 -16.431 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.868 -15.338 3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.463 -15.445 1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.712 -17.388 2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.081 -17.998 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.333 -17.729 4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.991 -17.219 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.867 -19.563 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.467 -19.362 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.861 -19.857 3.861 1.00 0.00 H new ATOM 1020 N ILE A 65 0.544 -13.076 5.001 1.00 0.00 N ATOM 1021 CA ILE A 65 0.230 -12.535 6.318 1.00 0.00 C ATOM 1022 C ILE A 65 -0.914 -13.305 6.970 1.00 0.00 C ATOM 1023 O ILE A 65 -2.079 -13.114 6.624 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.148 -11.044 6.239 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.804 -10.303 5.299 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.126 -10.418 7.626 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.371 -8.887 4.994 1.00 0.00 C ATOM 0 H ILE A 65 -0.030 -12.705 4.244 1.00 0.00 H new ATOM 0 HA ILE A 65 1.129 -12.641 6.925 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.159 -10.961 5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.799 -10.282 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.885 -10.859 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.395 -9.364 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.841 -10.932 8.269 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.874 -10.509 8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.093 -8.423 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.610 -8.901 4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.318 -8.315 5.920 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.572 -14.174 7.916 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.572 -14.971 8.617 1.00 0.00 C ATOM 1041 C GLU A 66 -2.348 -14.116 9.615 1.00 0.00 C ATOM 1042 O GLU A 66 -3.409 -14.513 10.095 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.906 -16.143 9.342 1.00 0.00 C ATOM 1044 CG GLU A 66 -0.313 -17.181 8.404 1.00 0.00 C ATOM 1045 CD GLU A 66 -0.182 -18.545 9.052 1.00 0.00 C ATOM 1046 OE1 GLU A 66 0.595 -18.668 10.021 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -0.856 -19.490 8.590 1.00 0.00 O ATOM 0 H GLU A 66 0.388 -14.344 8.214 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.272 -15.361 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.118 -15.758 9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.641 -16.626 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.940 -17.263 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.669 -16.845 8.071 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.809 -12.942 9.923 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.450 -12.030 10.863 1.00 0.00 C ATOM 1056 C ASP A 67 -3.463 -11.139 10.152 1.00 0.00 C ATOM 1057 O ASP A 67 -3.606 -9.960 10.479 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.400 -11.168 11.567 1.00 0.00 C ATOM 1059 CG ASP A 67 -0.779 -11.870 12.759 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -1.373 -11.814 13.856 1.00 0.00 O ATOM 1061 OD2 ASP A 67 0.300 -12.475 12.594 1.00 0.00 O ATOM 0 H ASP A 67 -0.930 -12.599 9.536 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.978 -12.627 11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.617 -10.902 10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.860 -10.237 11.897 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.163 -11.709 9.177 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.163 -10.967 8.419 1.00 0.00 C ATOM 1068 C ILE A 68 -6.552 -11.565 8.608 1.00 0.00 C ATOM 1069 O ILE A 68 -6.783 -12.733 8.299 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.826 -10.942 6.917 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.452 -10.308 6.689 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.898 -10.186 6.146 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.411 -8.828 7.001 1.00 0.00 C ATOM 0 H ILE A 68 -4.056 -12.683 8.893 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.155 -9.946 8.801 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.797 -11.968 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.716 -10.822 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.158 -10.461 5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.646 -10.177 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.861 -10.677 6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.956 -9.162 6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.407 -8.445 6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.122 -8.302 6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.674 -8.669 8.047 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.475 -10.756 9.117 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.844 -11.205 9.346 1.00 0.00 C ATOM 1087 C ASN A 69 -9.498 -11.644 8.039 1.00 0.00 C ATOM 1088 O ASN A 69 -10.061 -12.735 7.951 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.668 -10.090 9.992 1.00 0.00 C ATOM 1090 CG ASN A 69 -11.132 -10.458 10.131 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.602 -11.419 9.521 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.861 -9.694 10.936 1.00 0.00 N ATOM 0 H ASN A 69 -7.300 -9.786 9.379 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.811 -12.060 10.021 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.258 -9.863 10.976 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.580 -9.183 9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.852 -9.894 11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.430 -8.908 11.422 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.419 -10.786 7.027 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.007 -11.104 5.738 1.00 0.00 C ATOM 1101 C GLY A 70 -11.334 -10.404 5.519 1.00 0.00 C ATOM 1102 O GLY A 70 -11.413 -9.430 4.770 1.00 0.00 O ATOM 0 H GLY A 70 -8.959 -9.877 7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.314 -10.820 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.151 -12.182 5.664 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.378 -10.903 6.171 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.709 -10.321 6.041 1.00 0.00 C ATOM 1108 C CYS A 71 -14.153 -9.680 7.352 1.00 0.00 C ATOM 1109 O CYS A 71 -14.965 -10.228 8.096 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.717 -11.390 5.616 1.00 0.00 C ATOM 1111 SG CYS A 71 -14.893 -11.567 3.825 1.00 0.00 S ATOM 0 H CYS A 71 -12.329 -11.709 6.795 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.666 -9.547 5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.413 -12.348 6.037 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.690 -11.148 6.044 1.00 0.00 H new ATOM 0 HG CYS A 71 -15.765 -12.495 3.564 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.606 -8.490 7.644 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.929 -7.749 8.867 1.00 0.00 C ATOM 1119 C PRO A 72 -15.352 -7.201 8.853 1.00 0.00 C ATOM 1120 O PRO A 72 -15.818 -6.679 7.841 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.915 -6.602 8.865 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.560 -6.413 7.431 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.630 -7.777 6.803 1.00 0.00 C ATOM 0 HA PRO A 72 -13.876 -8.382 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.343 -5.694 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.037 -6.849 9.461 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.251 -5.724 6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.562 -5.987 7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.957 -7.725 5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.659 -8.272 6.807 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.039 -7.324 9.984 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.409 -6.840 10.104 1.00 0.00 C ATOM 1133 C LYS A 73 -17.541 -5.863 11.268 1.00 0.00 C ATOM 1134 O LYS A 73 -18.472 -5.060 11.314 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.372 -8.014 10.297 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.437 -8.517 11.729 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.512 -7.797 12.525 1.00 0.00 C ATOM 1138 CE LYS A 73 -19.205 -7.809 14.014 1.00 0.00 C ATOM 1139 NZ LYS A 73 -19.715 -9.041 14.676 1.00 0.00 N ATOM 0 H LYS A 73 -15.669 -7.755 10.831 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.665 -6.317 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -19.370 -7.710 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.068 -8.834 9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -18.638 -9.588 11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.469 -8.374 12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.595 -6.767 12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.477 -8.272 12.348 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.128 -7.736 14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.652 -6.933 14.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.486 -9.011 15.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -20.746 -9.098 14.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -19.270 -9.876 14.245 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.603 -5.938 12.207 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.614 -5.060 13.371 1.00 0.00 C ATOM 1155 C ASN A 74 -15.779 -3.808 13.117 1.00 0.00 C ATOM 1156 O ASN A 74 -14.711 -3.876 12.507 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.083 -5.800 14.600 1.00 0.00 C ATOM 1158 CG ASN A 74 -16.574 -5.190 15.899 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -17.389 -4.268 15.896 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -16.078 -5.705 17.018 1.00 0.00 N ATOM 0 H ASN A 74 -15.826 -6.598 12.184 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.645 -4.757 13.555 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.391 -6.845 14.553 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.993 -5.788 14.585 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.371 -5.336 17.923 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.404 -6.469 16.973 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.272 -2.668 13.588 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.572 -1.402 13.412 1.00 0.00 C ATOM 1169 C ARG A 75 -14.102 -1.535 13.799 1.00 0.00 C ATOM 1170 O ARG A 75 -13.254 -0.781 13.323 1.00 0.00 O ATOM 1171 CB ARG A 75 -16.234 -0.307 14.251 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.513 1.029 14.187 1.00 0.00 C ATOM 1173 CD ARG A 75 -15.840 1.778 12.904 1.00 0.00 C ATOM 1174 NE ARG A 75 -15.785 3.226 13.087 1.00 0.00 N ATOM 1175 CZ ARG A 75 -16.763 3.934 13.640 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -17.866 3.332 14.063 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -16.639 5.249 13.771 1.00 0.00 N ATOM 0 H ARG A 75 -17.154 -2.595 14.095 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.630 -1.128 12.359 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -17.261 -0.172 13.912 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.281 -0.635 15.289 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.795 1.637 15.047 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.437 0.866 14.251 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.138 1.484 12.124 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.835 1.493 12.561 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.950 3.720 12.773 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.966 2.322 13.964 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.615 3.879 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.792 5.716 13.447 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.391 5.792 14.196 1.00 0.00 H new ATOM 1191 N SER A 76 -13.809 -2.499 14.666 1.00 0.00 N ATOM 1192 CA SER A 76 -12.442 -2.728 15.120 1.00 0.00 C ATOM 1193 C SER A 76 -11.782 -3.844 14.315 1.00 0.00 C ATOM 1194 O SER A 76 -10.562 -3.866 14.151 1.00 0.00 O ATOM 1195 CB SER A 76 -12.429 -3.082 16.608 1.00 0.00 C ATOM 1196 OG SER A 76 -13.238 -4.215 16.870 1.00 0.00 O ATOM 0 H SER A 76 -14.499 -3.134 15.068 1.00 0.00 H new ATOM 0 HA SER A 76 -11.876 -1.809 14.967 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.406 -3.280 16.929 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.787 -2.233 17.190 1.00 0.00 H new ATOM 0 HG SER A 76 -13.211 -4.421 17.828 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.597 -4.767 13.816 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.093 -5.886 13.029 1.00 0.00 C ATOM 1204 C GLN A 77 -11.112 -5.404 11.964 1.00 0.00 C ATOM 1205 O GLN A 77 -10.083 -6.035 11.725 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.252 -6.636 12.369 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.827 -7.746 13.233 1.00 0.00 C ATOM 1208 CD GLN A 77 -12.993 -9.011 13.190 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -11.787 -8.982 13.437 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -13.632 -10.132 12.875 1.00 0.00 N ATOM 0 H GLN A 77 -13.609 -4.762 13.943 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.567 -6.563 13.702 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.044 -5.926 12.129 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.909 -7.061 11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.900 -7.398 14.263 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.840 -7.972 12.901 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.633 -10.111 12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.122 -11.014 12.830 1.00 0.00 H new ATOM 1219 N MET A 78 -11.439 -4.284 11.329 1.00 0.00 N ATOM 1220 CA MET A 78 -10.586 -3.718 10.291 1.00 0.00 C ATOM 1221 C MET A 78 -9.261 -3.241 10.876 1.00 0.00 C ATOM 1222 O MET A 78 -8.194 -3.519 10.328 1.00 0.00 O ATOM 1223 CB MET A 78 -11.297 -2.556 9.593 1.00 0.00 C ATOM 1224 CG MET A 78 -12.605 -2.955 8.930 1.00 0.00 C ATOM 1225 SD MET A 78 -14.024 -2.776 10.029 1.00 0.00 S ATOM 1226 CE MET A 78 -15.303 -3.574 9.063 1.00 0.00 C ATOM 0 H MET A 78 -12.288 -3.750 11.515 1.00 0.00 H new ATOM 0 HA MET A 78 -10.379 -4.500 9.560 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.494 -1.770 10.322 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.632 -2.133 8.840 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.759 -2.343 8.041 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.537 -3.990 8.596 1.00 0.00 H new ATOM 0 HE1 MET A 78 -16.126 -2.877 8.902 1.00 0.00 H new ATOM 0 HE2 MET A 78 -14.894 -3.881 8.100 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.669 -4.450 9.598 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.337 -2.521 11.991 1.00 0.00 N ATOM 1237 CA ILE A 79 -8.143 -2.006 12.650 1.00 0.00 C ATOM 1238 C ILE A 79 -7.025 -3.044 12.651 1.00 0.00 C ATOM 1239 O ILE A 79 -5.901 -2.760 12.240 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.438 -1.585 14.101 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.501 -0.485 14.129 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -7.164 -1.115 14.786 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -9.124 0.741 13.326 1.00 0.00 C ATOM 0 H ILE A 79 -10.212 -2.281 12.456 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.823 -1.131 12.084 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.821 -2.449 14.644 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.438 -0.887 13.744 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.681 -0.191 15.163 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.389 -0.821 15.811 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.435 -1.925 14.793 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.754 -0.262 14.246 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.924 1.479 13.391 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.203 1.168 13.724 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.973 0.461 12.284 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.344 -4.249 13.115 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.366 -5.329 13.168 1.00 0.00 C ATOM 1257 C GLU A 80 -5.697 -5.525 11.811 1.00 0.00 C ATOM 1258 O GLU A 80 -4.480 -5.682 11.725 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.036 -6.631 13.612 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.180 -6.760 15.119 1.00 0.00 C ATOM 1261 CD GLU A 80 -5.950 -7.359 15.773 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -5.685 -8.559 15.549 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.253 -6.629 16.508 1.00 0.00 O ATOM 0 H GLU A 80 -8.271 -4.501 13.459 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.600 -5.056 13.894 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.023 -6.696 13.155 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.455 -7.474 13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.372 -5.776 15.547 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.046 -7.381 15.346 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.502 -5.515 10.754 1.00 0.00 N ATOM 1271 CA ASN A 81 -5.988 -5.692 9.400 1.00 0.00 C ATOM 1272 C ASN A 81 -4.775 -4.800 9.157 1.00 0.00 C ATOM 1273 O ASN A 81 -3.648 -5.283 9.051 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.079 -5.380 8.374 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.317 -6.234 8.568 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.878 -6.293 9.662 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -8.749 -6.900 7.503 1.00 0.00 N ATOM 0 H ASN A 81 -7.512 -5.386 10.808 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.680 -6.731 9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.352 -4.327 8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.686 -5.538 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.578 -7.490 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.252 -6.821 6.616 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.015 -3.496 9.072 1.00 0.00 N ATOM 1285 CA ILE A 82 -3.942 -2.536 8.843 1.00 0.00 C ATOM 1286 C ILE A 82 -2.792 -2.753 9.821 1.00 0.00 C ATOM 1287 O ILE A 82 -1.622 -2.676 9.447 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.446 -1.086 8.974 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.601 -0.835 8.003 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.311 -0.106 8.719 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.962 -1.137 8.592 1.00 0.00 C ATOM 0 H ILE A 82 -5.942 -3.080 9.158 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.586 -2.698 7.826 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.810 -0.934 9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.576 0.206 7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -5.456 -1.446 7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.683 0.914 8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.516 -0.273 9.446 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.920 -0.256 7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.733 -0.936 7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.006 -2.185 8.887 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.128 -0.507 9.466 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.134 -3.026 11.076 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.131 -3.258 12.108 1.00 0.00 C ATOM 1305 C ASP A 83 -1.192 -4.392 11.709 1.00 0.00 C ATOM 1306 O ASP A 83 0.027 -4.269 11.819 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.806 -3.583 13.442 1.00 0.00 C ATOM 1308 CG ASP A 83 -1.983 -3.133 14.633 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -0.754 -2.970 14.477 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -2.567 -2.943 15.720 1.00 0.00 O ATOM 0 H ASP A 83 -4.098 -3.092 11.402 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.543 -2.347 12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.784 -3.102 13.478 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.976 -4.658 13.507 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.770 -5.496 11.247 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.985 -6.652 10.831 1.00 0.00 C ATOM 1317 C ALA A 84 0.079 -6.255 9.812 1.00 0.00 C ATOM 1318 O ALA A 84 1.245 -6.628 9.942 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.894 -7.728 10.256 1.00 0.00 C ATOM 0 H ALA A 84 -2.779 -5.614 11.151 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.478 -7.052 11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.294 -8.585 9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.613 -8.040 11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.427 -7.331 9.392 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.331 -5.499 8.800 1.00 0.00 N ATOM 1326 CA CYS A 85 0.587 -5.053 7.758 1.00 0.00 C ATOM 1327 C CYS A 85 1.734 -4.242 8.354 1.00 0.00 C ATOM 1328 O CYS A 85 2.897 -4.440 8.001 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.158 -4.216 6.717 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.654 -5.001 6.073 1.00 0.00 S ATOM 0 H CYS A 85 -1.293 -5.182 8.679 1.00 0.00 H new ATOM 0 HA CYS A 85 1.004 -5.936 7.273 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.426 -3.257 7.161 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.515 -4.005 5.886 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.501 -5.182 7.043 1.00 0.00 H new ATOM 1336 N LEU A 86 1.398 -3.328 9.258 1.00 0.00 N ATOM 1337 CA LEU A 86 2.399 -2.485 9.902 1.00 0.00 C ATOM 1338 C LEU A 86 3.426 -3.333 10.647 1.00 0.00 C ATOM 1339 O LEU A 86 4.629 -3.096 10.548 1.00 0.00 O ATOM 1340 CB LEU A 86 1.727 -1.510 10.870 1.00 0.00 C ATOM 1341 CG LEU A 86 0.697 -0.559 10.257 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.014 0.230 11.345 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.364 0.380 9.264 1.00 0.00 C ATOM 0 H LEU A 86 0.440 -3.152 9.561 1.00 0.00 H new ATOM 0 HA LEU A 86 2.915 -1.919 9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.238 -2.087 11.654 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.503 -0.913 11.350 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.045 -1.152 9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.743 0.901 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.525 -0.458 12.019 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.715 0.813 11.907 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.617 1.049 8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.128 0.967 9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.826 -0.202 8.467 1.00 0.00 H new ATOM 1355 N ASN A 87 2.941 -4.321 11.392 1.00 0.00 N ATOM 1356 CA ASN A 87 3.817 -5.205 12.153 1.00 0.00 C ATOM 1357 C ASN A 87 4.611 -6.117 11.222 1.00 0.00 C ATOM 1358 O ASN A 87 5.789 -6.387 11.457 1.00 0.00 O ATOM 1359 CB ASN A 87 2.999 -6.047 13.134 1.00 0.00 C ATOM 1360 CG ASN A 87 2.446 -5.223 14.281 1.00 0.00 C ATOM 1361 OD1 ASN A 87 3.191 -4.776 15.154 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.134 -5.020 14.285 1.00 0.00 N ATOM 0 H ASN A 87 1.947 -4.530 11.485 1.00 0.00 H new ATOM 0 HA ASN A 87 4.519 -4.587 12.713 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.175 -6.523 12.602 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.624 -6.846 13.532 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.705 -4.474 15.032 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.555 -5.410 13.541 1.00 0.00 H new ATOM 1369 N PHE A 88 3.958 -6.587 10.165 1.00 0.00 N ATOM 1370 CA PHE A 88 4.603 -7.469 9.198 1.00 0.00 C ATOM 1371 C PHE A 88 5.767 -6.763 8.510 1.00 0.00 C ATOM 1372 O PHE A 88 6.818 -7.360 8.274 1.00 0.00 O ATOM 1373 CB PHE A 88 3.590 -7.943 8.154 1.00 0.00 C ATOM 1374 CG PHE A 88 4.218 -8.349 6.852 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.543 -7.399 5.897 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.482 -9.683 6.581 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.121 -7.770 4.698 1.00 0.00 C ATOM 1378 CE2 PHE A 88 5.061 -10.059 5.384 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.379 -9.102 4.441 1.00 0.00 C ATOM 0 H PHE A 88 2.983 -6.372 9.956 1.00 0.00 H new ATOM 0 HA PHE A 88 4.992 -8.334 9.735 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.032 -8.788 8.558 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.871 -7.145 7.968 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.342 -6.356 6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.232 -10.436 7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.371 -7.019 3.963 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.265 -11.101 5.186 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.829 -9.395 3.504 1.00 0.00 H new ATOM 1389 N LEU A 89 5.573 -5.488 8.190 1.00 0.00 N ATOM 1390 CA LEU A 89 6.606 -4.699 7.529 1.00 0.00 C ATOM 1391 C LEU A 89 7.794 -4.468 8.457 1.00 0.00 C ATOM 1392 O LEU A 89 8.942 -4.700 8.082 1.00 0.00 O ATOM 1393 CB LEU A 89 6.034 -3.356 7.070 1.00 0.00 C ATOM 1394 CG LEU A 89 5.129 -3.398 5.838 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.726 -1.991 5.424 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.823 -4.116 4.690 1.00 0.00 C ATOM 0 H LEU A 89 4.709 -4.979 8.378 1.00 0.00 H new ATOM 0 HA LEU A 89 6.952 -5.257 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.470 -2.923 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.865 -2.682 6.863 1.00 0.00 H new ATOM 0 HG LEU A 89 4.226 -3.952 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.082 -2.040 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.188 -1.511 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.618 -1.412 5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.164 -4.136 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.743 -3.590 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.060 -5.137 4.989 1.00 0.00 H new ATOM 1408 N ALA A 90 7.508 -4.012 9.673 1.00 0.00 N ATOM 1409 CA ALA A 90 8.552 -3.755 10.657 1.00 0.00 C ATOM 1410 C ALA A 90 9.500 -4.943 10.776 1.00 0.00 C ATOM 1411 O ALA A 90 10.714 -4.773 10.883 1.00 0.00 O ATOM 1412 CB ALA A 90 7.934 -3.432 12.009 1.00 0.00 C ATOM 0 H ALA A 90 6.562 -3.813 9.999 1.00 0.00 H new ATOM 0 HA ALA A 90 9.131 -2.895 10.320 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.725 -3.242 12.735 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.304 -2.547 11.919 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.329 -4.275 12.343 1.00 0.00 H new ATOM 1418 N ALA A 91 8.937 -6.147 10.758 1.00 0.00 N ATOM 1419 CA ALA A 91 9.732 -7.364 10.862 1.00 0.00 C ATOM 1420 C ALA A 91 10.682 -7.503 9.677 1.00 0.00 C ATOM 1421 O ALA A 91 11.731 -8.139 9.780 1.00 0.00 O ATOM 1422 CB ALA A 91 8.824 -8.581 10.959 1.00 0.00 C ATOM 0 H ALA A 91 7.933 -6.305 10.672 1.00 0.00 H new ATOM 0 HA ALA A 91 10.333 -7.299 11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.431 -9.483 11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.191 -8.493 11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.198 -8.640 10.068 1.00 0.00 H new ATOM 1428 N LYS A 92 10.307 -6.905 8.552 1.00 0.00 N ATOM 1429 CA LYS A 92 11.125 -6.961 7.346 1.00 0.00 C ATOM 1430 C LYS A 92 12.256 -5.940 7.408 1.00 0.00 C ATOM 1431 O LYS A 92 13.197 -5.992 6.617 1.00 0.00 O ATOM 1432 CB LYS A 92 10.263 -6.707 6.108 1.00 0.00 C ATOM 1433 CG LYS A 92 9.119 -7.695 5.950 1.00 0.00 C ATOM 1434 CD LYS A 92 9.629 -9.113 5.762 1.00 0.00 C ATOM 1435 CE LYS A 92 8.484 -10.098 5.582 1.00 0.00 C ATOM 1436 NZ LYS A 92 7.999 -10.134 4.175 1.00 0.00 N ATOM 0 H LYS A 92 9.441 -6.375 8.450 1.00 0.00 H new ATOM 0 HA LYS A 92 11.561 -7.958 7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.855 -5.697 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.895 -6.750 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.476 -7.652 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.507 -7.411 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.285 -9.153 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.227 -9.403 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.812 -11.094 5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.662 -9.823 6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 6.960 -10.185 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.307 -9.273 3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.390 -10.969 3.694 1.00 0.00 H new ATOM 1450 N GLY A 93 12.159 -5.011 8.356 1.00 0.00 N ATOM 1451 CA GLY A 93 13.181 -3.993 8.504 1.00 0.00 C ATOM 1452 C GLY A 93 12.717 -2.631 8.026 1.00 0.00 C ATOM 1453 O GLY A 93 13.507 -1.850 7.495 1.00 0.00 O ATOM 0 H GLY A 93 11.390 -4.947 9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.474 -3.926 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 93 14.068 -4.289 7.943 1.00 0.00 H new ATOM 1457 N ILE A 94 11.432 -2.347 8.213 1.00 0.00 N ATOM 1458 CA ILE A 94 10.865 -1.071 7.796 1.00 0.00 C ATOM 1459 C ILE A 94 10.351 -0.280 8.995 1.00 0.00 C ATOM 1460 O ILE A 94 9.604 -0.802 9.821 1.00 0.00 O ATOM 1461 CB ILE A 94 9.712 -1.268 6.794 1.00 0.00 C ATOM 1462 CG1 ILE A 94 10.202 -2.038 5.566 1.00 0.00 C ATOM 1463 CG2 ILE A 94 9.131 0.077 6.384 1.00 0.00 C ATOM 1464 CD1 ILE A 94 9.087 -2.685 4.775 1.00 0.00 C ATOM 0 H ILE A 94 10.765 -2.983 8.650 1.00 0.00 H new ATOM 0 HA ILE A 94 11.666 -0.513 7.311 1.00 0.00 H new ATOM 0 HB ILE A 94 8.926 -1.850 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.751 -1.357 4.915 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.904 -2.808 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 94 8.317 -0.079 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.751 0.593 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.908 0.682 5.917 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.507 -3.213 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.552 -3.391 5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 94 8.397 -1.918 4.425 1.00 0.00 H new ATOM 1526 N GLY A 98 5.063 5.652 13.926 1.00 0.00 N ATOM 1527 CA GLY A 98 4.431 6.885 13.491 1.00 0.00 C ATOM 1528 C GLY A 98 3.096 6.645 12.815 1.00 0.00 C ATOM 1529 O GLY A 98 2.159 7.426 12.980 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.287 7.539 14.351 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.095 7.407 12.802 1.00 0.00 H new ATOM 1533 N LEU A 99 3.009 5.563 12.049 1.00 0.00 N ATOM 1534 CA LEU A 99 1.779 5.223 11.342 1.00 0.00 C ATOM 1535 C LEU A 99 0.659 4.898 12.325 1.00 0.00 C ATOM 1536 O LEU A 99 0.912 4.574 13.486 1.00 0.00 O ATOM 1537 CB LEU A 99 2.015 4.034 10.409 1.00 0.00 C ATOM 1538 CG LEU A 99 3.113 4.212 9.360 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.325 2.921 8.585 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.766 5.353 8.415 1.00 0.00 C ATOM 0 H LEU A 99 3.775 4.906 11.902 1.00 0.00 H new ATOM 0 HA LEU A 99 1.479 6.087 10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.259 3.163 11.017 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.081 3.811 9.894 1.00 0.00 H new ATOM 0 HG LEU A 99 4.043 4.460 9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.110 3.067 7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.618 2.128 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.399 2.642 8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.558 5.466 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.826 5.134 7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.665 6.278 8.983 1.00 0.00 H new ATOM 1552 N SER A 100 -0.581 4.984 11.852 1.00 0.00 N ATOM 1553 CA SER A 100 -1.740 4.700 12.690 1.00 0.00 C ATOM 1554 C SER A 100 -2.776 3.883 11.925 1.00 0.00 C ATOM 1555 O SER A 100 -3.448 4.394 11.030 1.00 0.00 O ATOM 1556 CB SER A 100 -2.368 6.004 13.186 1.00 0.00 C ATOM 1557 OG SER A 100 -1.543 6.632 14.152 1.00 0.00 O ATOM 0 H SER A 100 -0.808 5.248 10.893 1.00 0.00 H new ATOM 0 HA SER A 100 -1.404 4.117 13.547 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.526 6.678 12.344 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.347 5.798 13.618 1.00 0.00 H new ATOM 0 HG SER A 100 -1.965 7.464 14.452 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.899 2.609 12.284 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.853 1.720 11.634 1.00 0.00 C ATOM 1565 C ALA A 101 -5.237 2.357 11.565 1.00 0.00 C ATOM 1566 O ALA A 101 -5.958 2.191 10.582 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.919 0.389 12.367 1.00 0.00 C ATOM 0 H ALA A 101 -2.349 2.170 13.022 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.511 1.544 10.614 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.636 -0.265 11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.935 -0.079 12.360 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.234 0.556 13.397 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.602 3.085 12.616 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.901 3.745 12.674 1.00 0.00 C ATOM 1575 C GLU A 102 -7.021 4.806 11.583 1.00 0.00 C ATOM 1576 O GLU A 102 -8.002 4.838 10.841 1.00 0.00 O ATOM 1577 CB GLU A 102 -7.112 4.384 14.048 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.494 4.989 14.231 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.622 5.768 15.526 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -8.406 5.171 16.602 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -8.939 6.974 15.463 1.00 0.00 O ATOM 0 H GLU A 102 -5.017 3.232 13.438 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.671 2.991 12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.949 3.631 14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.362 5.160 14.198 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.712 5.649 13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.240 4.194 14.214 1.00 0.00 H new ATOM 1588 N GLU A 103 -6.017 5.672 11.495 1.00 0.00 N ATOM 1589 CA GLU A 103 -6.011 6.735 10.497 1.00 0.00 C ATOM 1590 C GLU A 103 -6.174 6.163 9.092 1.00 0.00 C ATOM 1591 O GLU A 103 -6.887 6.725 8.260 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.713 7.540 10.584 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.603 8.384 11.843 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.499 9.607 11.805 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -6.469 9.607 11.017 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -5.232 10.563 12.562 1.00 0.00 O ATOM 0 H GLU A 103 -5.198 5.659 12.102 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.854 7.395 10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.867 6.854 10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.640 8.191 9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.863 7.774 12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.568 8.700 11.975 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.507 5.042 8.835 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.578 4.394 7.531 1.00 0.00 C ATOM 1605 C ILE A 104 -6.995 3.915 7.232 1.00 0.00 C ATOM 1606 O ILE A 104 -7.504 4.103 6.127 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.615 3.195 7.446 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -3.175 3.652 7.693 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.735 2.515 6.090 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -2.143 2.590 7.385 1.00 0.00 C ATOM 0 H ILE A 104 -4.912 4.564 9.512 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.285 5.139 6.791 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.886 2.474 8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.972 4.532 7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.072 3.956 8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.048 1.670 6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.756 2.161 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.486 3.227 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.146 2.983 7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.320 1.717 8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.218 2.303 6.336 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.626 3.296 8.224 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.985 2.790 8.068 1.00 0.00 C ATOM 1624 C ARG A 105 -9.940 3.912 7.670 1.00 0.00 C ATOM 1625 O ARG A 105 -10.911 3.687 6.950 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.461 2.136 9.366 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.973 2.131 9.526 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.423 1.083 10.532 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.875 0.928 10.549 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.571 0.419 9.538 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.950 0.017 8.438 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.890 0.310 9.628 1.00 0.00 N ATOM 0 H ARG A 105 -7.218 3.133 9.145 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.979 2.043 7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -9.097 1.109 9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.016 2.660 10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.309 3.116 9.850 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.441 1.936 8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.959 0.127 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.077 1.363 11.527 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.382 1.227 11.382 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.936 0.098 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.486 -0.373 7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.371 0.617 10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.424 -0.081 8.852 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.656 5.120 8.146 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.490 6.277 7.842 1.00 0.00 C ATOM 1648 C ASN A 106 -10.207 6.797 6.436 1.00 0.00 C ATOM 1649 O ASN A 106 -11.055 7.440 5.818 1.00 0.00 O ATOM 1650 CB ASN A 106 -10.251 7.388 8.866 1.00 0.00 C ATOM 1651 CG ASN A 106 -11.100 7.219 10.112 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -12.307 6.991 10.027 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -10.471 7.330 11.276 1.00 0.00 N ATOM 0 H ASN A 106 -8.855 5.323 8.744 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.533 5.964 7.892 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.198 7.400 9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.470 8.353 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.990 7.226 12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.469 7.520 11.298 1.00 0.00 H new ATOM 1660 N GLY A 107 -9.009 6.512 5.935 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.635 6.958 4.606 1.00 0.00 C ATOM 1662 C GLY A 107 -7.841 8.249 4.629 1.00 0.00 C ATOM 1663 O GLY A 107 -7.977 9.084 3.736 1.00 0.00 O ATOM 0 H GLY A 107 -8.291 5.980 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.046 6.182 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.535 7.099 4.007 1.00 0.00 H new ATOM 1667 N ASN A 108 -7.011 8.413 5.654 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.194 9.613 5.791 1.00 0.00 C ATOM 1669 C ASN A 108 -4.973 9.547 4.879 1.00 0.00 C ATOM 1670 O ASN A 108 -4.024 8.808 5.147 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.751 9.790 7.244 1.00 0.00 C ATOM 1672 CG ASN A 108 -5.514 11.245 7.603 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -6.178 11.795 8.481 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -4.563 11.874 6.923 1.00 0.00 N ATOM 0 H ASN A 108 -6.887 7.730 6.402 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.799 10.470 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.511 9.374 7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.836 9.223 7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.358 12.853 7.120 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.037 11.378 6.203 1.00 0.00 H new ATOM 1681 N LEU A 109 -5.003 10.323 3.801 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.898 10.353 2.849 1.00 0.00 C ATOM 1683 C LEU A 109 -2.556 10.404 3.574 1.00 0.00 C ATOM 1684 O LEU A 109 -1.659 9.608 3.298 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.033 11.560 1.919 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.390 11.418 0.539 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.189 10.457 -0.327 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.274 12.777 -0.137 1.00 0.00 C ATOM 0 H LEU A 109 -5.780 10.940 3.564 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.936 9.439 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.093 11.773 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.595 12.426 2.415 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.387 11.010 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.716 10.369 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.221 9.478 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.204 10.834 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.814 12.657 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.267 13.212 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.658 13.436 0.474 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.427 11.344 4.504 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.197 11.498 5.271 1.00 0.00 C ATOM 1702 C LYS A 110 -0.765 10.167 5.878 1.00 0.00 C ATOM 1703 O LYS A 110 0.427 9.908 6.046 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.389 12.537 6.378 1.00 0.00 C ATOM 1705 CG LYS A 110 -1.190 13.968 5.910 1.00 0.00 C ATOM 1706 CD LYS A 110 0.274 14.267 5.635 1.00 0.00 C ATOM 1707 CE LYS A 110 0.979 14.791 6.876 1.00 0.00 C ATOM 1708 NZ LYS A 110 1.437 13.686 7.763 1.00 0.00 N ATOM 0 H LYS A 110 -3.160 12.011 4.745 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.415 11.839 4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.393 12.435 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.689 12.327 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.773 14.140 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.566 14.655 6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.772 13.362 5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.352 15.002 4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.835 15.396 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.304 15.444 7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.292 13.984 8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.687 13.455 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.653 12.846 7.188 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.741 9.326 6.205 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.460 8.020 6.789 1.00 0.00 C ATOM 1724 C ALA A 111 -1.025 7.022 5.722 1.00 0.00 C ATOM 1725 O ALA A 111 0.083 6.487 5.774 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.682 7.501 7.532 1.00 0.00 C ATOM 0 H ALA A 111 -2.733 9.526 6.075 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.639 8.136 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.458 6.525 7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.947 8.197 8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.517 7.408 6.838 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.903 6.776 4.755 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.608 5.843 3.675 1.00 0.00 C ATOM 1734 C ILE A 112 -0.266 6.160 3.025 1.00 0.00 C ATOM 1735 O ILE A 112 0.631 5.317 2.983 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.707 5.866 2.596 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.052 5.456 3.198 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.334 4.946 1.442 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.793 6.599 3.856 1.00 0.00 C ATOM 0 H ILE A 112 -2.824 7.210 4.698 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.567 4.849 4.120 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.798 6.882 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.678 5.032 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.887 4.669 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.120 4.972 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.395 5.279 1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.220 3.927 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.738 6.235 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.186 7.009 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.990 7.377 3.119 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.133 7.382 2.521 1.00 0.00 N ATOM 1752 CA LEU A 113 1.101 7.813 1.874 1.00 0.00 C ATOM 1753 C LEU A 113 2.321 7.309 2.638 1.00 0.00 C ATOM 1754 O LEU A 113 3.236 6.729 2.054 1.00 0.00 O ATOM 1755 CB LEU A 113 1.143 9.339 1.775 1.00 0.00 C ATOM 1756 CG LEU A 113 0.116 9.979 0.840 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.317 11.485 0.777 1.00 0.00 C ATOM 1758 CD2 LEU A 113 0.208 9.369 -0.551 1.00 0.00 C ATOM 0 H LEU A 113 -0.865 8.092 2.548 1.00 0.00 H new ATOM 0 HA LEU A 113 1.122 7.389 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.002 9.752 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.139 9.635 1.445 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.880 9.782 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.423 11.923 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.200 11.910 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.318 11.703 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.530 9.836 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.206 9.535 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.014 8.298 -0.492 1.00 0.00 H new ATOM 1770 N GLY A 114 2.326 7.531 3.949 1.00 0.00 N ATOM 1771 CA GLY A 114 3.438 7.091 4.772 1.00 0.00 C ATOM 1772 C GLY A 114 3.736 5.615 4.601 1.00 0.00 C ATOM 1773 O GLY A 114 4.898 5.215 4.512 1.00 0.00 O ATOM 0 H GLY A 114 1.580 8.008 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.326 7.670 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.214 7.295 5.819 1.00 0.00 H new ATOM 1777 N LEU A 115 2.686 4.802 4.558 1.00 0.00 N ATOM 1778 CA LEU A 115 2.841 3.360 4.398 1.00 0.00 C ATOM 1779 C LEU A 115 3.462 3.025 3.046 1.00 0.00 C ATOM 1780 O LEU A 115 4.533 2.421 2.975 1.00 0.00 O ATOM 1781 CB LEU A 115 1.487 2.663 4.537 1.00 0.00 C ATOM 1782 CG LEU A 115 1.338 1.331 3.800 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.362 0.423 4.532 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.883 1.563 2.367 1.00 0.00 C ATOM 0 H LEU A 115 1.718 5.117 4.632 1.00 0.00 H new ATOM 0 HA LEU A 115 3.509 3.003 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.296 2.492 5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.713 3.342 4.179 1.00 0.00 H new ATOM 0 HG LEU A 115 2.311 0.839 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.268 -0.520 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.730 0.230 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.613 0.907 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.782 0.605 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.079 2.076 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.619 2.175 1.846 1.00 0.00 H new ATOM 1796 N PHE A 116 2.784 3.423 1.975 1.00 0.00 N ATOM 1797 CA PHE A 116 3.269 3.167 0.624 1.00 0.00 C ATOM 1798 C PHE A 116 4.578 3.908 0.366 1.00 0.00 C ATOM 1799 O PHE A 116 5.302 3.602 -0.582 1.00 0.00 O ATOM 1800 CB PHE A 116 2.220 3.589 -0.407 1.00 0.00 C ATOM 1801 CG PHE A 116 1.260 2.492 -0.768 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.629 1.494 -1.656 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.013 2.459 -0.221 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.748 0.483 -1.990 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.898 1.451 -0.551 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.518 0.462 -1.438 1.00 0.00 C ATOM 0 H PHE A 116 1.897 3.924 2.016 1.00 0.00 H new ATOM 0 HA PHE A 116 3.452 2.097 0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.659 4.438 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.726 3.930 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.617 1.507 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.317 3.230 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.049 -0.290 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.886 1.436 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.209 -0.326 -1.699 1.00 0.00 H new ATOM 1816 N PHE A 117 4.876 4.885 1.217 1.00 0.00 N ATOM 1817 CA PHE A 117 6.096 5.671 1.081 1.00 0.00 C ATOM 1818 C PHE A 117 7.307 4.884 1.572 1.00 0.00 C ATOM 1819 O PHE A 117 8.413 5.039 1.055 1.00 0.00 O ATOM 1820 CB PHE A 117 5.973 6.980 1.864 1.00 0.00 C ATOM 1821 CG PHE A 117 7.250 7.771 1.913 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.291 7.379 2.738 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.407 8.906 1.134 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.467 8.104 2.786 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.581 9.635 1.177 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.612 9.234 2.004 1.00 0.00 C ATOM 0 H PHE A 117 4.289 5.151 2.008 1.00 0.00 H new ATOM 0 HA PHE A 117 6.237 5.899 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.193 7.592 1.412 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.654 6.757 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 117 8.183 6.496 3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.604 9.225 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.271 7.788 3.434 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.692 10.517 0.564 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.530 9.802 2.039 1.00 0.00 H new ATOM 1836 N SER A 118 7.090 4.039 2.575 1.00 0.00 N ATOM 1837 CA SER A 118 8.164 3.230 3.139 1.00 0.00 C ATOM 1838 C SER A 118 8.202 1.849 2.491 1.00 0.00 C ATOM 1839 O SER A 118 9.266 1.358 2.112 1.00 0.00 O ATOM 1840 CB SER A 118 7.985 3.091 4.652 1.00 0.00 C ATOM 1841 OG SER A 118 8.584 4.177 5.338 1.00 0.00 O ATOM 0 H SER A 118 6.180 3.897 3.014 1.00 0.00 H new ATOM 0 HA SER A 118 9.109 3.733 2.936 1.00 0.00 H new ATOM 0 HB2 SER A 118 6.923 3.046 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.429 2.154 4.989 1.00 0.00 H new ATOM 0 HG SER A 118 8.454 4.066 6.303 1.00 0.00 H new ATOM 1847 N LEU A 119 7.034 1.228 2.368 1.00 0.00 N ATOM 1848 CA LEU A 119 6.932 -0.097 1.766 1.00 0.00 C ATOM 1849 C LEU A 119 7.751 -0.176 0.482 1.00 0.00 C ATOM 1850 O LEU A 119 8.604 -1.051 0.331 1.00 0.00 O ATOM 1851 CB LEU A 119 5.469 -0.434 1.474 1.00 0.00 C ATOM 1852 CG LEU A 119 5.227 -1.509 0.413 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.919 -2.807 0.802 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.736 -1.736 0.214 1.00 0.00 C ATOM 0 H LEU A 119 6.145 1.620 2.677 1.00 0.00 H new ATOM 0 HA LEU A 119 7.331 -0.823 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.999 -0.756 2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.962 0.479 1.160 1.00 0.00 H new ATOM 0 HG LEU A 119 5.650 -1.164 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.736 -3.561 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.991 -2.635 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.526 -3.157 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.583 -2.504 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.289 -2.060 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.267 -0.807 -0.110 1.00 0.00 H new ATOM 1866 N SER A 120 7.487 0.744 -0.440 1.00 0.00 N ATOM 1867 CA SER A 120 8.198 0.778 -1.712 1.00 0.00 C ATOM 1868 C SER A 120 9.703 0.648 -1.497 1.00 0.00 C ATOM 1869 O SER A 120 10.383 -0.085 -2.216 1.00 0.00 O ATOM 1870 CB SER A 120 7.889 2.076 -2.460 1.00 0.00 C ATOM 1871 OG SER A 120 8.637 3.158 -1.933 1.00 0.00 O ATOM 0 H SER A 120 6.785 1.476 -0.330 1.00 0.00 H new ATOM 0 HA SER A 120 7.859 -0.067 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.118 1.953 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.824 2.297 -2.388 1.00 0.00 H new ATOM 0 HG SER A 120 8.423 3.976 -2.429 1.00 0.00 H new ATOM 1877 N ARG A 121 10.216 1.365 -0.503 1.00 0.00 N ATOM 1878 CA ARG A 121 11.640 1.331 -0.193 1.00 0.00 C ATOM 1879 C ARG A 121 12.130 -0.106 -0.040 1.00 0.00 C ATOM 1880 O ARG A 121 13.097 -0.515 -0.684 1.00 0.00 O ATOM 1881 CB ARG A 121 11.924 2.116 1.089 1.00 0.00 C ATOM 1882 CG ARG A 121 11.348 3.523 1.081 1.00 0.00 C ATOM 1883 CD ARG A 121 11.707 4.279 2.351 1.00 0.00 C ATOM 1884 NE ARG A 121 13.145 4.270 2.605 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.698 4.737 3.720 1.00 0.00 C ATOM 1886 NH1 ARG A 121 12.936 5.246 4.678 1.00 0.00 N ATOM 1887 NH2 ARG A 121 15.015 4.695 3.877 1.00 0.00 N ATOM 0 H ARG A 121 9.667 1.976 0.101 1.00 0.00 H new ATOM 0 HA ARG A 121 12.177 1.794 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.514 1.569 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 121 13.002 2.175 1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.724 4.066 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.264 3.473 0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.360 5.309 2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.186 3.832 3.198 1.00 0.00 H new ATOM 0 HE ARG A 121 13.759 3.884 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 121 11.923 5.280 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 121 13.362 5.604 5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.604 4.304 3.142 1.00 0.00 H new ATOM 0 HH22 ARG A 121 15.438 5.054 4.733 1.00 0.00 H new ATOM 1901 N TYR A 122 11.457 -0.867 0.816 1.00 0.00 N ATOM 1902 CA TYR A 122 11.825 -2.257 1.055 1.00 0.00 C ATOM 1903 C TYR A 122 12.174 -2.962 -0.253 1.00 0.00 C ATOM 1904 O TYR A 122 13.189 -3.652 -0.349 1.00 0.00 O ATOM 1905 CB TYR A 122 10.684 -2.996 1.756 1.00 0.00 C ATOM 1906 CG TYR A 122 10.739 -4.497 1.587 1.00 0.00 C ATOM 1907 CD1 TYR A 122 10.360 -5.095 0.391 1.00 0.00 C ATOM 1908 CD2 TYR A 122 11.170 -5.318 2.622 1.00 0.00 C ATOM 1909 CE1 TYR A 122 10.408 -6.466 0.232 1.00 0.00 C ATOM 1910 CE2 TYR A 122 11.223 -6.690 2.471 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.841 -7.259 1.274 1.00 0.00 C ATOM 1912 OH TYR A 122 10.890 -8.626 1.120 1.00 0.00 O ATOM 0 H TYR A 122 10.654 -0.544 1.356 1.00 0.00 H new ATOM 0 HA TYR A 122 12.705 -2.267 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.708 -2.758 2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.733 -2.630 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 122 10.022 -4.477 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.469 -4.876 3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.108 -6.915 -0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.562 -7.313 3.285 1.00 0.00 H new ATOM 0 HH TYR A 122 11.218 -9.037 1.947 1.00 0.00 H new ATOM 1922 N LYS A 123 11.324 -2.782 -1.258 1.00 0.00 N ATOM 1923 CA LYS A 123 11.540 -3.397 -2.563 1.00 0.00 C ATOM 1924 C LYS A 123 12.689 -2.718 -3.301 1.00 0.00 C ATOM 1925 O LYS A 123 13.634 -3.376 -3.736 1.00 0.00 O ATOM 1926 CB LYS A 123 10.264 -3.321 -3.403 1.00 0.00 C ATOM 1927 CG LYS A 123 10.294 -4.206 -4.637 1.00 0.00 C ATOM 1928 CD LYS A 123 10.324 -5.679 -4.266 1.00 0.00 C ATOM 1929 CE LYS A 123 9.935 -6.558 -5.445 1.00 0.00 C ATOM 1930 NZ LYS A 123 11.118 -6.947 -6.261 1.00 0.00 N ATOM 0 H LYS A 123 10.479 -2.215 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 123 11.801 -4.443 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.414 -3.605 -2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 123 10.103 -2.288 -3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.418 -4.003 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.170 -3.963 -5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.323 -5.949 -3.923 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.642 -5.860 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.435 -7.455 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.219 -6.027 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.811 -7.545 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.581 -6.092 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.790 -7.476 -5.669 1.00 0.00 H new ATOM 1944 N GLN A 124 12.601 -1.398 -3.437 1.00 0.00 N ATOM 1945 CA GLN A 124 13.635 -0.631 -4.122 1.00 0.00 C ATOM 1946 C GLN A 124 15.024 -1.039 -3.642 1.00 0.00 C ATOM 1947 O GLN A 124 15.302 -1.033 -2.443 1.00 0.00 O ATOM 1948 CB GLN A 124 13.423 0.867 -3.894 1.00 0.00 C ATOM 1949 CG GLN A 124 12.502 1.513 -4.916 1.00 0.00 C ATOM 1950 CD GLN A 124 11.116 0.899 -4.924 1.00 0.00 C ATOM 1951 OE1 GLN A 124 10.162 1.484 -4.409 1.00 0.00 O ATOM 1952 NE2 GLN A 124 10.996 -0.287 -5.509 1.00 0.00 N ATOM 0 H GLN A 124 11.825 -0.839 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 124 13.563 -0.843 -5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 124 13.010 1.019 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.390 1.370 -3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 124 12.422 2.579 -4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.943 1.418 -5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 124 11.813 -0.736 -5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.087 -0.749 -5.544 1.00 0.00 H new