USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 700 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 78 SER OG : rot 180:sc= -0.0814 USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=-0.081,f=-0.081) USER MOD Single : A 15 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-4.5!) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -1.9 F(o=-2.8!,f=-1.9) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.148 (180deg=-0.846) USER MOD Single : A 25 GLN : amide:sc= -2.65! C(o=-2.6!,f=-6.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -1.11 (180deg=-1.48!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.115 USER MOD Single : A 40 HIS : no HD1:sc= -2.45! C(o=-2.4!,f=-2.1!) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.97!,f=0) USER MOD Single : A 44 SER OG : rot 160:sc= -1.58 USER MOD Single : A 47 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.64) USER MOD Single : A 48 THR OG1 : rot 84:sc= 0.0853 USER MOD Single : A 50 LYS NZ :NH3+ -113:sc= -4.83! (180deg=-7.18!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -156:sc= -2.53! (180deg=-4.08!) USER MOD Single : A 57 ASN :FLIP amide:sc= -4.12! C(o=-11!,f=-4.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -4.86! C(o=-7.7!,f=-4.9!) USER MOD Single : A 61 ASN :FLIP amide:sc= -2.56! C(o=-3.1!,f=-2.6!) USER MOD Single : A 62 CYS SG : rot 72:sc= 0.0418 USER MOD Single : A 64 THR OG1 : rot -7:sc= -0.0988 USER MOD Single : A 65 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.2) USER MOD Single : A 69 TYR OH : rot 150:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.735 (180deg=-1.86!) USER MOD Single : A 73 TYR OH : rot 77:sc= -5.61! USER MOD Single : A 77 TYR OH : rot 180:sc= -1 USER MOD Single : A 82 SER OG : rot 169:sc= -1.31! USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= -0.906 (180deg=-1.6) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.9! C(o=-4.6!,f=-1.9!) USER MOD Single : A 85 ASN : amide:sc= -3.19! C(o=-3.2!,f=-2.7!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 -1.174 -3.245 -1.579 1.00 0.00 N ATOM 174 CA VAL A 13 -1.449 -4.419 -2.413 1.00 0.00 C ATOM 175 C VAL A 13 -0.431 -4.587 -3.522 1.00 0.00 C ATOM 176 O VAL A 13 -0.215 -3.700 -4.323 1.00 0.00 O ATOM 177 CB VAL A 13 -2.828 -4.220 -3.033 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.763 -3.063 -4.031 1.00 0.00 C ATOM 179 CG2 VAL A 13 -3.239 -5.503 -3.747 1.00 0.00 C ATOM 0 HA VAL A 13 -1.400 -5.313 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.561 -3.987 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.745 -2.914 -4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.458 -2.153 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.039 -3.296 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.224 -5.371 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.514 -5.733 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.273 -6.323 -3.030 1.00 0.00 H new ATOM 189 N ASP A 14 0.187 -5.734 -3.540 1.00 0.00 N ATOM 190 CA ASP A 14 1.191 -5.997 -4.583 1.00 0.00 C ATOM 191 C ASP A 14 0.498 -6.609 -5.779 1.00 0.00 C ATOM 192 O ASP A 14 -0.163 -7.621 -5.653 1.00 0.00 O ATOM 193 CB ASP A 14 2.222 -6.993 -4.037 1.00 0.00 C ATOM 194 CG ASP A 14 3.202 -6.254 -3.128 1.00 0.00 C ATOM 195 OD1 ASP A 14 4.154 -5.721 -3.674 1.00 0.00 O ATOM 196 OD2 ASP A 14 2.942 -6.259 -1.937 1.00 0.00 O ATOM 0 H ASP A 14 0.035 -6.493 -2.876 1.00 0.00 H new ATOM 0 HA ASP A 14 1.687 -5.071 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.721 -7.786 -3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.757 -7.468 -4.859 1.00 0.00 H new ATOM 201 N THR A 15 0.647 -5.991 -6.914 1.00 0.00 N ATOM 202 CA THR A 15 -0.007 -6.534 -8.120 1.00 0.00 C ATOM 203 C THR A 15 0.876 -6.360 -9.350 1.00 0.00 C ATOM 204 O THR A 15 0.798 -5.369 -10.045 1.00 0.00 O ATOM 205 CB THR A 15 -1.321 -5.769 -8.318 1.00 0.00 C ATOM 206 OG1 THR A 15 -0.945 -4.447 -8.646 1.00 0.00 O ATOM 207 CG2 THR A 15 -2.072 -5.636 -6.977 1.00 0.00 C ATOM 0 H THR A 15 1.191 -5.139 -7.053 1.00 0.00 H new ATOM 0 HA THR A 15 -0.187 -7.601 -7.991 1.00 0.00 H new ATOM 0 HB THR A 15 -1.938 -6.276 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.520 -4.437 -9.529 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.003 -5.091 -7.134 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.294 -6.628 -6.585 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.450 -5.095 -6.264 1.00 0.00 H new ATOM 215 N ALA A 16 1.700 -7.341 -9.594 1.00 0.00 N ATOM 216 CA ALA A 16 2.599 -7.269 -10.765 1.00 0.00 C ATOM 217 C ALA A 16 2.891 -8.664 -11.273 1.00 0.00 C ATOM 218 O ALA A 16 3.850 -9.288 -10.867 1.00 0.00 O ATOM 219 CB ALA A 16 3.920 -6.619 -10.327 1.00 0.00 C ATOM 0 H ALA A 16 1.785 -8.186 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 16 2.125 -6.686 -11.555 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.596 -6.558 -11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.724 -5.616 -9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.379 -7.221 -9.543 1.00 0.00 H new ATOM 225 N ILE A 17 2.065 -9.129 -12.156 1.00 0.00 N ATOM 226 CA ILE A 17 2.276 -10.470 -12.697 1.00 0.00 C ATOM 227 C ILE A 17 1.673 -10.585 -14.105 1.00 0.00 C ATOM 228 O ILE A 17 2.372 -10.451 -15.089 1.00 0.00 O ATOM 229 CB ILE A 17 1.589 -11.458 -11.755 1.00 0.00 C ATOM 230 CG1 ILE A 17 1.533 -12.815 -12.407 1.00 0.00 C ATOM 231 CG2 ILE A 17 0.152 -10.970 -11.471 1.00 0.00 C ATOM 232 CD1 ILE A 17 2.936 -13.181 -12.862 1.00 0.00 C ATOM 0 H ILE A 17 1.254 -8.630 -12.521 1.00 0.00 H new ATOM 0 HA ILE A 17 3.342 -10.682 -12.773 1.00 0.00 H new ATOM 0 HB ILE A 17 2.148 -11.525 -10.822 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.155 -13.559 -11.705 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.849 -12.801 -13.256 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.344 -11.671 -10.799 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.188 -9.985 -11.006 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.403 -10.910 -12.407 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.920 -14.161 -13.338 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.293 -12.438 -13.575 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.603 -13.207 -12.000 1.00 0.00 H new ATOM 244 N TYR A 18 0.388 -10.829 -14.171 1.00 0.00 N ATOM 245 CA TYR A 18 -0.274 -10.953 -15.498 1.00 0.00 C ATOM 246 C TYR A 18 0.022 -9.723 -16.358 1.00 0.00 C ATOM 247 O TYR A 18 -0.378 -9.657 -17.504 1.00 0.00 O ATOM 248 CB TYR A 18 -1.795 -11.046 -15.288 1.00 0.00 C ATOM 249 CG TYR A 18 -2.102 -11.798 -13.990 1.00 0.00 C ATOM 250 CD1 TYR A 18 -1.504 -13.010 -13.714 1.00 0.00 C ATOM 251 CD2 TYR A 18 -2.975 -11.261 -13.070 1.00 0.00 C ATOM 252 CE1 TYR A 18 -1.773 -13.671 -12.530 1.00 0.00 C ATOM 253 CE2 TYR A 18 -3.247 -11.917 -11.889 1.00 0.00 C ATOM 254 CZ TYR A 18 -2.648 -13.130 -11.609 1.00 0.00 C ATOM 255 OH TYR A 18 -2.922 -13.789 -10.425 1.00 0.00 O ATOM 0 H TYR A 18 -0.226 -10.947 -13.365 1.00 0.00 H new ATOM 0 HA TYR A 18 0.104 -11.844 -16.000 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.226 -10.046 -15.249 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.256 -11.559 -16.132 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.821 -13.446 -14.428 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.452 -10.314 -13.277 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.295 -14.617 -12.324 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.933 -11.480 -11.178 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.558 -13.262 -9.897 1.00 0.00 H new ATOM 265 N HIS A 19 0.670 -8.749 -15.748 1.00 0.00 N ATOM 266 CA HIS A 19 1.028 -7.479 -16.468 1.00 0.00 C ATOM 267 C HIS A 19 1.507 -7.715 -17.896 1.00 0.00 C ATOM 268 O HIS A 19 1.728 -6.768 -18.626 1.00 0.00 O ATOM 269 CB HIS A 19 2.170 -6.795 -15.700 1.00 0.00 C ATOM 270 CG HIS A 19 2.680 -5.602 -16.517 1.00 0.00 C ATOM 271 ND1 HIS A 19 3.546 -5.672 -17.415 1.00 0.00 N ATOM 272 CD2 HIS A 19 2.321 -4.268 -16.458 1.00 0.00 C ATOM 273 CE1 HIS A 19 3.778 -4.538 -17.928 1.00 0.00 C ATOM 274 NE2 HIS A 19 3.041 -3.571 -17.381 1.00 0.00 N ATOM 0 H HIS A 19 0.968 -8.782 -14.773 1.00 0.00 H new ATOM 0 HA HIS A 19 0.126 -6.868 -16.514 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.819 -6.460 -14.724 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.980 -7.502 -15.522 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.587 -3.846 -15.787 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.493 -4.372 -18.720 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.021 -2.574 -17.596 1.00 0.00 H new ATOM 282 N HIS A 20 1.675 -8.957 -18.260 1.00 0.00 N ATOM 283 CA HIS A 20 2.141 -9.270 -19.636 1.00 0.00 C ATOM 284 C HIS A 20 1.648 -8.237 -20.651 1.00 0.00 C ATOM 285 O HIS A 20 2.429 -7.444 -21.140 1.00 0.00 O ATOM 286 CB HIS A 20 1.557 -10.635 -20.018 1.00 0.00 C ATOM 287 CG HIS A 20 2.386 -11.220 -21.155 1.00 0.00 C ATOM 288 ND1 HIS A 20 3.352 -10.618 -21.934 1.00 0.00 N flip ATOM 289 CD2 HIS A 20 2.310 -12.394 -21.561 1.00 0.00 C flip ATOM 290 CE1 HIS A 20 3.836 -11.526 -22.824 1.00 0.00 C flip ATOM 291 NE2 HIS A 20 3.121 -12.608 -22.512 1.00 0.00 N flip ATOM 0 H HIS A 20 1.509 -9.767 -17.662 1.00 0.00 H new ATOM 0 HA HIS A 20 3.231 -9.265 -19.650 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.569 -11.305 -19.158 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.517 -10.528 -20.325 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.639 -13.136 -21.155 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.596 -11.403 -23.581 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.216 -13.507 -22.985 1.00 0.00 H new ATOM 299 N LYS A 21 0.369 -8.260 -20.954 1.00 0.00 N ATOM 300 CA LYS A 21 -0.162 -7.268 -21.940 1.00 0.00 C ATOM 301 C LYS A 21 -0.800 -6.068 -21.221 1.00 0.00 C ATOM 302 O LYS A 21 -0.256 -4.983 -21.223 1.00 0.00 O ATOM 303 CB LYS A 21 -1.224 -7.958 -22.826 1.00 0.00 C ATOM 304 CG LYS A 21 -0.518 -8.736 -23.953 1.00 0.00 C ATOM 305 CD LYS A 21 0.366 -9.830 -23.346 1.00 0.00 C ATOM 306 CE LYS A 21 1.019 -10.637 -24.473 1.00 0.00 C ATOM 307 NZ LYS A 21 -0.017 -11.195 -25.386 1.00 0.00 N ATOM 0 H LYS A 21 -0.316 -8.910 -20.569 1.00 0.00 H new ATOM 0 HA LYS A 21 0.664 -6.904 -22.552 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.831 -8.636 -22.225 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.900 -7.215 -23.249 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.257 -9.180 -24.620 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.087 -8.057 -24.554 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.132 -9.384 -22.711 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.231 -10.486 -22.712 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.702 -10.000 -25.035 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.613 -11.447 -24.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.380 -12.001 -25.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.836 -11.513 -24.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.319 -10.461 -26.058 1.00 0.00 H new ATOM 321 N LEU A 22 -1.942 -6.290 -20.613 1.00 0.00 N ATOM 322 CA LEU A 22 -2.625 -5.176 -19.889 1.00 0.00 C ATOM 323 C LEU A 22 -3.459 -5.722 -18.741 1.00 0.00 C ATOM 324 O LEU A 22 -4.133 -4.982 -18.044 1.00 0.00 O ATOM 325 CB LEU A 22 -3.540 -4.442 -20.882 1.00 0.00 C ATOM 326 CG LEU A 22 -4.823 -5.244 -21.088 1.00 0.00 C ATOM 327 CD1 LEU A 22 -5.662 -4.563 -22.169 1.00 0.00 C ATOM 328 CD2 LEU A 22 -4.471 -6.656 -21.545 1.00 0.00 C ATOM 0 H LEU A 22 -2.426 -7.188 -20.588 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.879 -4.494 -19.481 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.778 -3.447 -20.505 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.026 -4.308 -21.834 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.382 -5.292 -20.154 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.582 -5.127 -22.325 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.907 -3.549 -21.854 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.096 -4.527 -23.100 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.386 -7.229 -21.692 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.918 -6.608 -22.483 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.857 -7.141 -20.787 1.00 0.00 H new ATOM 340 N ARG A 23 -3.393 -7.008 -18.558 1.00 0.00 N ATOM 341 CA ARG A 23 -4.166 -7.620 -17.471 1.00 0.00 C ATOM 342 C ARG A 23 -3.861 -6.912 -16.173 1.00 0.00 C ATOM 343 O ARG A 23 -4.623 -6.973 -15.233 1.00 0.00 O ATOM 344 CB ARG A 23 -3.744 -9.091 -17.346 1.00 0.00 C ATOM 345 CG ARG A 23 -4.545 -9.939 -18.330 1.00 0.00 C ATOM 346 CD ARG A 23 -3.839 -11.285 -18.499 1.00 0.00 C ATOM 347 NE ARG A 23 -4.409 -11.994 -19.676 1.00 0.00 N ATOM 348 CZ ARG A 23 -4.022 -13.213 -19.930 1.00 0.00 C ATOM 349 NH1 ARG A 23 -4.358 -14.166 -19.104 1.00 0.00 N ATOM 350 NH2 ARG A 23 -3.307 -13.436 -20.998 1.00 0.00 N ATOM 0 H ARG A 23 -2.836 -7.653 -19.118 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.232 -7.543 -17.684 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.678 -9.192 -17.547 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.911 -9.442 -16.328 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.560 -10.088 -17.963 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.625 -9.430 -19.291 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.768 -11.133 -18.635 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.963 -11.889 -17.600 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.093 -11.533 -20.276 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.914 -13.951 -18.276 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.064 -15.126 -19.286 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.060 -12.664 -21.617 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.995 -14.383 -21.214 1.00 0.00 H new ATOM 364 N ASP A 24 -2.740 -6.241 -16.145 1.00 0.00 N ATOM 365 CA ASP A 24 -2.368 -5.523 -14.919 1.00 0.00 C ATOM 366 C ASP A 24 -3.301 -4.345 -14.705 1.00 0.00 C ATOM 367 O ASP A 24 -3.694 -4.052 -13.597 1.00 0.00 O ATOM 368 CB ASP A 24 -0.918 -5.009 -15.064 1.00 0.00 C ATOM 369 CG ASP A 24 -0.759 -3.680 -14.316 1.00 0.00 C ATOM 370 OD1 ASP A 24 -0.954 -3.709 -13.111 1.00 0.00 O ATOM 371 OD2 ASP A 24 -0.453 -2.712 -14.992 1.00 0.00 O ATOM 0 H ASP A 24 -2.079 -6.167 -16.918 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.444 -6.195 -14.065 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.220 -5.746 -14.667 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.674 -4.875 -16.118 1.00 0.00 H new ATOM 376 N GLN A 25 -3.647 -3.695 -15.779 1.00 0.00 N ATOM 377 CA GLN A 25 -4.550 -2.540 -15.667 1.00 0.00 C ATOM 378 C GLN A 25 -5.940 -3.016 -15.312 1.00 0.00 C ATOM 379 O GLN A 25 -6.719 -2.290 -14.728 1.00 0.00 O ATOM 380 CB GLN A 25 -4.562 -1.807 -17.031 1.00 0.00 C ATOM 381 CG GLN A 25 -5.730 -2.309 -17.882 1.00 0.00 C ATOM 382 CD GLN A 25 -7.023 -1.595 -17.469 1.00 0.00 C ATOM 383 OE1 GLN A 25 -7.003 -0.550 -16.851 1.00 0.00 O ATOM 384 NE2 GLN A 25 -8.170 -2.127 -17.796 1.00 0.00 N ATOM 0 H GLN A 25 -3.339 -3.920 -16.725 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.211 -1.861 -14.885 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.650 -0.732 -16.875 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.621 -1.977 -17.553 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.526 -2.128 -18.937 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.844 -3.386 -17.759 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.196 -3.005 -18.315 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.040 -1.665 -17.532 1.00 0.00 H new ATOM 393 N VAL A 26 -6.233 -4.236 -15.664 1.00 0.00 N ATOM 394 CA VAL A 26 -7.570 -4.765 -15.344 1.00 0.00 C ATOM 395 C VAL A 26 -7.622 -5.200 -13.885 1.00 0.00 C ATOM 396 O VAL A 26 -8.521 -4.836 -13.152 1.00 0.00 O ATOM 397 CB VAL A 26 -7.860 -5.983 -16.242 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.136 -6.656 -15.754 1.00 0.00 C ATOM 399 CG2 VAL A 26 -8.057 -5.524 -17.691 1.00 0.00 C ATOM 0 H VAL A 26 -5.608 -4.877 -16.153 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.314 -3.987 -15.515 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.023 -6.680 -16.197 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.354 -7.521 -16.381 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.004 -6.980 -14.722 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.964 -5.950 -15.810 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.262 -6.389 -18.322 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.896 -4.831 -17.742 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.153 -5.026 -18.041 1.00 0.00 H new ATOM 409 N LEU A 27 -6.651 -5.972 -13.495 1.00 0.00 N ATOM 410 CA LEU A 27 -6.599 -6.452 -12.103 1.00 0.00 C ATOM 411 C LEU A 27 -6.314 -5.285 -11.174 1.00 0.00 C ATOM 412 O LEU A 27 -6.525 -5.363 -9.976 1.00 0.00 O ATOM 413 CB LEU A 27 -5.454 -7.518 -12.030 1.00 0.00 C ATOM 414 CG LEU A 27 -4.425 -7.187 -10.923 1.00 0.00 C ATOM 415 CD1 LEU A 27 -4.966 -7.685 -9.571 1.00 0.00 C ATOM 416 CD2 LEU A 27 -3.102 -7.898 -11.236 1.00 0.00 C ATOM 0 H LEU A 27 -5.887 -6.290 -14.091 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.546 -6.895 -11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.885 -8.501 -11.842 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.946 -7.571 -12.993 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.259 -6.111 -10.879 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.247 -7.456 -8.785 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.912 -7.190 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.123 -8.763 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.373 -7.668 -10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.267 -8.975 -11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.725 -7.557 -12.200 1.00 0.00 H new ATOM 428 N LYS A 28 -5.857 -4.210 -11.756 1.00 0.00 N ATOM 429 CA LYS A 28 -5.543 -3.012 -10.940 1.00 0.00 C ATOM 430 C LYS A 28 -6.781 -2.180 -10.748 1.00 0.00 C ATOM 431 O LYS A 28 -7.088 -1.755 -9.650 1.00 0.00 O ATOM 432 CB LYS A 28 -4.485 -2.177 -11.692 1.00 0.00 C ATOM 433 CG LYS A 28 -4.308 -0.815 -11.009 1.00 0.00 C ATOM 434 CD LYS A 28 -3.735 -1.026 -9.607 1.00 0.00 C ATOM 435 CE LYS A 28 -2.842 0.164 -9.249 1.00 0.00 C ATOM 436 NZ LYS A 28 -2.574 0.198 -7.782 1.00 0.00 N ATOM 0 H LYS A 28 -5.689 -4.113 -12.757 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.168 -3.319 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.535 -2.710 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.791 -2.036 -12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.641 -0.184 -11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.265 -0.297 -10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.542 -1.123 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.161 -1.952 -9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.901 0.096 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.323 1.092 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.967 1.012 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.473 0.285 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.095 -0.680 -7.496 1.00 0.00 H new ATOM 450 N ALA A 29 -7.481 -1.957 -11.817 1.00 0.00 N ATOM 451 CA ALA A 29 -8.705 -1.151 -11.708 1.00 0.00 C ATOM 452 C ALA A 29 -9.756 -1.893 -10.907 1.00 0.00 C ATOM 453 O ALA A 29 -10.617 -1.295 -10.316 1.00 0.00 O ATOM 454 CB ALA A 29 -9.254 -0.893 -13.119 1.00 0.00 C ATOM 0 H ALA A 29 -7.256 -2.297 -12.752 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.470 -0.212 -11.207 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.163 -0.295 -13.052 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.509 -0.356 -13.707 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.480 -1.844 -13.601 1.00 0.00 H new ATOM 460 N LEU A 30 -9.656 -3.186 -10.876 1.00 0.00 N ATOM 461 CA LEU A 30 -10.651 -3.951 -10.115 1.00 0.00 C ATOM 462 C LEU A 30 -10.346 -3.936 -8.636 1.00 0.00 C ATOM 463 O LEU A 30 -11.215 -3.677 -7.828 1.00 0.00 O ATOM 464 CB LEU A 30 -10.637 -5.407 -10.610 1.00 0.00 C ATOM 465 CG LEU A 30 -11.156 -5.454 -12.047 1.00 0.00 C ATOM 466 CD1 LEU A 30 -10.658 -6.731 -12.722 1.00 0.00 C ATOM 467 CD2 LEU A 30 -12.682 -5.463 -12.035 1.00 0.00 C ATOM 0 H LEU A 30 -8.934 -3.736 -11.342 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.629 -3.494 -10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.625 -5.810 -10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.258 -6.029 -9.966 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.796 -4.581 -12.592 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.026 -6.768 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.568 -6.738 -12.727 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.024 -7.599 -12.174 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.054 -5.496 -13.059 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.036 -6.339 -11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.047 -4.560 -11.546 1.00 0.00 H new ATOM 479 N TYR A 31 -9.118 -4.174 -8.294 1.00 0.00 N ATOM 480 CA TYR A 31 -8.777 -4.175 -6.859 1.00 0.00 C ATOM 481 C TYR A 31 -8.679 -2.770 -6.263 1.00 0.00 C ATOM 482 O TYR A 31 -9.205 -2.515 -5.197 1.00 0.00 O ATOM 483 CB TYR A 31 -7.427 -4.877 -6.675 1.00 0.00 C ATOM 484 CG TYR A 31 -6.960 -4.671 -5.231 1.00 0.00 C ATOM 485 CD1 TYR A 31 -6.461 -3.449 -4.822 1.00 0.00 C ATOM 486 CD2 TYR A 31 -7.063 -5.693 -4.309 1.00 0.00 C ATOM 487 CE1 TYR A 31 -6.077 -3.252 -3.512 1.00 0.00 C ATOM 488 CE2 TYR A 31 -6.677 -5.496 -3.000 1.00 0.00 C ATOM 489 CZ TYR A 31 -6.181 -4.275 -2.590 1.00 0.00 C ATOM 490 OH TYR A 31 -5.791 -4.081 -1.280 1.00 0.00 O ATOM 0 H TYR A 31 -8.349 -4.365 -8.936 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.581 -4.695 -6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.521 -5.941 -6.894 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.692 -4.472 -7.371 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.371 -2.642 -5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -7.449 -6.654 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.692 -2.291 -3.205 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.764 -6.304 -2.289 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.934 -4.906 -0.770 1.00 0.00 H new ATOM 500 N ASP A 32 -8.015 -1.888 -6.947 1.00 0.00 N ATOM 501 CA ASP A 32 -7.881 -0.504 -6.413 1.00 0.00 C ATOM 502 C ASP A 32 -9.205 0.253 -6.404 1.00 0.00 C ATOM 503 O ASP A 32 -9.462 1.019 -5.497 1.00 0.00 O ATOM 504 CB ASP A 32 -6.871 0.267 -7.283 1.00 0.00 C ATOM 505 CG ASP A 32 -6.824 1.731 -6.829 1.00 0.00 C ATOM 506 OD1 ASP A 32 -7.728 2.450 -7.224 1.00 0.00 O ATOM 507 OD2 ASP A 32 -5.887 2.046 -6.112 1.00 0.00 O ATOM 0 H ASP A 32 -7.562 -2.059 -7.845 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.541 -0.580 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.882 -0.184 -7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.159 0.209 -8.333 1.00 0.00 H new ATOM 512 N VAL A 33 -10.029 0.043 -7.394 1.00 0.00 N ATOM 513 CA VAL A 33 -11.316 0.775 -7.392 1.00 0.00 C ATOM 514 C VAL A 33 -12.294 0.123 -6.437 1.00 0.00 C ATOM 515 O VAL A 33 -13.255 0.738 -6.018 1.00 0.00 O ATOM 516 CB VAL A 33 -11.908 0.767 -8.805 1.00 0.00 C ATOM 517 CG1 VAL A 33 -13.093 1.729 -8.849 1.00 0.00 C ATOM 518 CG2 VAL A 33 -10.845 1.243 -9.798 1.00 0.00 C ATOM 0 H VAL A 33 -9.870 -0.586 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.136 1.800 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.233 -0.240 -9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.523 1.732 -9.851 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.848 1.409 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.755 2.734 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.261 1.239 -10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.531 2.254 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.985 0.575 -9.758 1.00 0.00 H new ATOM 528 N LEU A 34 -12.042 -1.114 -6.101 1.00 0.00 N ATOM 529 CA LEU A 34 -12.955 -1.801 -5.173 1.00 0.00 C ATOM 530 C LEU A 34 -12.617 -1.424 -3.747 1.00 0.00 C ATOM 531 O LEU A 34 -13.483 -1.098 -2.960 1.00 0.00 O ATOM 532 CB LEU A 34 -12.764 -3.308 -5.323 1.00 0.00 C ATOM 533 CG LEU A 34 -13.682 -3.837 -6.426 1.00 0.00 C ATOM 534 CD1 LEU A 34 -13.406 -5.329 -6.639 1.00 0.00 C ATOM 535 CD2 LEU A 34 -15.143 -3.648 -6.001 1.00 0.00 C ATOM 0 H LEU A 34 -11.249 -1.665 -6.430 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.982 -1.513 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.724 -3.530 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.987 -3.808 -4.380 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.496 -3.293 -7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -14.058 -5.711 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.365 -5.468 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.598 -5.870 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.801 -4.024 -6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.327 -4.197 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -15.340 -2.588 -5.838 1.00 0.00 H new ATOM 547 N ALA A 35 -11.353 -1.476 -3.444 1.00 0.00 N ATOM 548 CA ALA A 35 -10.917 -1.129 -2.079 1.00 0.00 C ATOM 549 C ALA A 35 -11.082 0.363 -1.811 1.00 0.00 C ATOM 550 O ALA A 35 -11.635 0.760 -0.804 1.00 0.00 O ATOM 551 CB ALA A 35 -9.432 -1.492 -1.945 1.00 0.00 C ATOM 0 H ALA A 35 -10.608 -1.744 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.527 -1.677 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.086 -1.244 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.301 -2.560 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.853 -0.930 -2.678 1.00 0.00 H new ATOM 557 N LYS A 36 -10.599 1.161 -2.717 1.00 0.00 N ATOM 558 CA LYS A 36 -10.713 2.630 -2.539 1.00 0.00 C ATOM 559 C LYS A 36 -12.150 3.042 -2.245 1.00 0.00 C ATOM 560 O LYS A 36 -12.401 3.845 -1.367 1.00 0.00 O ATOM 561 CB LYS A 36 -10.268 3.306 -3.842 1.00 0.00 C ATOM 562 CG LYS A 36 -10.313 4.822 -3.662 1.00 0.00 C ATOM 563 CD LYS A 36 -9.464 5.480 -4.749 1.00 0.00 C ATOM 564 CE LYS A 36 -8.140 5.943 -4.139 1.00 0.00 C ATOM 565 NZ LYS A 36 -7.590 4.897 -3.230 1.00 0.00 N ATOM 0 H LYS A 36 -10.131 0.860 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.089 2.932 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.259 2.989 -4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.920 3.006 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.342 5.177 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.938 5.095 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.278 4.775 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.996 6.328 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.423 6.158 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.292 6.870 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.607 5.132 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.162 4.855 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.616 3.973 -3.707 1.00 0.00 H new ATOM 579 N GLU A 37 -13.064 2.489 -2.984 1.00 0.00 N ATOM 580 CA GLU A 37 -14.492 2.835 -2.765 1.00 0.00 C ATOM 581 C GLU A 37 -14.872 2.699 -1.293 1.00 0.00 C ATOM 582 O GLU A 37 -15.307 3.645 -0.669 1.00 0.00 O ATOM 583 CB GLU A 37 -15.352 1.866 -3.592 1.00 0.00 C ATOM 584 CG GLU A 37 -16.236 2.667 -4.549 1.00 0.00 C ATOM 585 CD GLU A 37 -17.053 3.683 -3.750 1.00 0.00 C ATOM 586 OE1 GLU A 37 -17.202 3.445 -2.562 1.00 0.00 O ATOM 587 OE2 GLU A 37 -17.482 4.643 -4.371 1.00 0.00 O ATOM 0 H GLU A 37 -12.886 1.814 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.658 3.869 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.714 1.183 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.969 1.256 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.621 3.179 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -16.900 1.998 -5.095 1.00 0.00 H new ATOM 594 N SER A 38 -14.701 1.518 -0.773 1.00 0.00 N ATOM 595 CA SER A 38 -15.043 1.284 0.654 1.00 0.00 C ATOM 596 C SER A 38 -14.050 0.318 1.283 1.00 0.00 C ATOM 597 O SER A 38 -13.924 -0.814 0.858 1.00 0.00 O ATOM 598 CB SER A 38 -16.449 0.679 0.710 1.00 0.00 C ATOM 599 OG SER A 38 -16.980 0.915 -0.586 1.00 0.00 O ATOM 0 H SER A 38 -14.340 0.706 -1.274 1.00 0.00 H new ATOM 0 HA SER A 38 -15.005 2.224 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.416 -0.386 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 38 -17.056 1.152 1.482 1.00 0.00 H new ATOM 0 HG SER A 38 -17.889 0.553 -0.638 1.00 0.00 H new ATOM 605 N GLU A 39 -13.360 0.787 2.290 1.00 0.00 N ATOM 606 CA GLU A 39 -12.363 -0.081 2.964 1.00 0.00 C ATOM 607 C GLU A 39 -12.920 -0.759 4.220 1.00 0.00 C ATOM 608 O GLU A 39 -12.305 -1.665 4.744 1.00 0.00 O ATOM 609 CB GLU A 39 -11.172 0.799 3.376 1.00 0.00 C ATOM 610 CG GLU A 39 -10.755 1.684 2.193 1.00 0.00 C ATOM 611 CD GLU A 39 -10.422 3.084 2.707 1.00 0.00 C ATOM 612 OE1 GLU A 39 -9.528 3.160 3.533 1.00 0.00 O ATOM 613 OE2 GLU A 39 -11.083 4.001 2.245 1.00 0.00 O ATOM 0 H GLU A 39 -13.447 1.730 2.670 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.076 -0.868 2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -11.443 1.420 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.336 0.174 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.890 1.253 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.560 1.735 1.460 1.00 0.00 H new ATOM 620 N HIS A 40 -14.069 -0.321 4.682 1.00 0.00 N ATOM 621 CA HIS A 40 -14.639 -0.961 5.909 1.00 0.00 C ATOM 622 C HIS A 40 -15.588 -2.118 5.573 1.00 0.00 C ATOM 623 O HIS A 40 -15.602 -3.126 6.254 1.00 0.00 O ATOM 624 CB HIS A 40 -15.413 0.101 6.730 1.00 0.00 C ATOM 625 CG HIS A 40 -15.110 1.504 6.184 1.00 0.00 C ATOM 626 ND1 HIS A 40 -14.035 2.116 6.352 1.00 0.00 N ATOM 627 CD2 HIS A 40 -15.907 2.360 5.437 1.00 0.00 C ATOM 628 CE1 HIS A 40 -14.058 3.258 5.799 1.00 0.00 C ATOM 629 NE2 HIS A 40 -15.217 3.505 5.187 1.00 0.00 N ATOM 0 H HIS A 40 -14.623 0.432 4.274 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.806 -1.366 6.484 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -16.484 -0.096 6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -15.128 0.040 7.780 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -16.914 2.150 5.107 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.231 3.952 5.821 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.509 4.334 4.669 1.00 0.00 H new ATOM 637 N PRO A 41 -16.390 -1.937 4.536 1.00 0.00 N ATOM 638 CA PRO A 41 -17.344 -2.959 4.108 1.00 0.00 C ATOM 639 C PRO A 41 -16.919 -3.777 2.821 1.00 0.00 C ATOM 640 O PRO A 41 -17.779 -4.272 2.118 1.00 0.00 O ATOM 641 CB PRO A 41 -18.572 -2.101 3.734 1.00 0.00 C ATOM 642 CG PRO A 41 -18.015 -0.677 3.386 1.00 0.00 C ATOM 643 CD PRO A 41 -16.542 -0.661 3.854 1.00 0.00 C ATOM 0 HA PRO A 41 -17.472 -3.712 4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -19.104 -2.530 2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -19.280 -2.052 4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.085 -0.483 2.316 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -18.591 0.100 3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.854 -0.571 3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.342 0.177 4.521 1.00 0.00 H new ATOM 651 N PRO A 42 -15.617 -3.923 2.532 1.00 0.00 N ATOM 652 CA PRO A 42 -15.200 -4.676 1.342 1.00 0.00 C ATOM 653 C PRO A 42 -15.694 -6.116 1.391 1.00 0.00 C ATOM 654 O PRO A 42 -15.805 -6.703 2.449 1.00 0.00 O ATOM 655 CB PRO A 42 -13.663 -4.654 1.364 1.00 0.00 C ATOM 656 CG PRO A 42 -13.233 -3.814 2.599 1.00 0.00 C ATOM 657 CD PRO A 42 -14.518 -3.393 3.339 1.00 0.00 C ATOM 0 HA PRO A 42 -15.614 -4.234 0.436 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.265 -5.666 1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.271 -4.216 0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.586 -4.398 3.254 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.664 -2.938 2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.541 -3.799 4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.583 -2.309 3.429 1.00 0.00 H new ATOM 665 N GLN A 43 -15.974 -6.662 0.240 1.00 0.00 N ATOM 666 CA GLN A 43 -16.463 -8.061 0.194 1.00 0.00 C ATOM 667 C GLN A 43 -15.323 -9.051 -0.038 1.00 0.00 C ATOM 668 O GLN A 43 -14.937 -9.781 0.853 1.00 0.00 O ATOM 669 CB GLN A 43 -17.437 -8.164 -0.978 1.00 0.00 C ATOM 670 CG GLN A 43 -17.119 -7.045 -1.976 1.00 0.00 C ATOM 671 CD GLN A 43 -17.829 -7.328 -3.301 1.00 0.00 C ATOM 672 OE1 GLN A 43 -18.818 -8.178 -3.320 1.00 0.00 O flip ATOM 673 NE2 GLN A 43 -17.491 -6.777 -4.329 1.00 0.00 N flip ATOM 0 H GLN A 43 -15.885 -6.200 -0.665 1.00 0.00 H new ATOM 0 HA GLN A 43 -16.933 -8.306 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.348 -9.138 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -18.465 -8.076 -0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -17.442 -6.084 -1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -16.043 -6.979 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.718 -6.111 -4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.980 -6.980 -5.201 1.00 0.00 H new ATOM 682 N SER A 44 -14.805 -9.053 -1.234 1.00 0.00 N ATOM 683 CA SER A 44 -13.694 -9.978 -1.557 1.00 0.00 C ATOM 684 C SER A 44 -12.872 -9.416 -2.690 1.00 0.00 C ATOM 685 O SER A 44 -12.663 -10.065 -3.692 1.00 0.00 O ATOM 686 CB SER A 44 -14.290 -11.325 -1.999 1.00 0.00 C ATOM 687 OG SER A 44 -13.226 -12.249 -1.823 1.00 0.00 O ATOM 0 H SER A 44 -15.106 -8.451 -2.000 1.00 0.00 H new ATOM 0 HA SER A 44 -13.060 -10.108 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.156 -11.595 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.622 -11.293 -3.037 1.00 0.00 H new ATOM 0 HG SER A 44 -13.588 -13.158 -1.769 1.00 0.00 H new ATOM 693 N ILE A 45 -12.424 -8.212 -2.512 1.00 0.00 N ATOM 694 CA ILE A 45 -11.613 -7.578 -3.564 1.00 0.00 C ATOM 695 C ILE A 45 -10.586 -8.537 -4.114 1.00 0.00 C ATOM 696 O ILE A 45 -10.403 -8.637 -5.310 1.00 0.00 O ATOM 697 CB ILE A 45 -10.867 -6.388 -2.962 1.00 0.00 C ATOM 698 CG1 ILE A 45 -11.766 -5.583 -1.995 1.00 0.00 C ATOM 699 CG2 ILE A 45 -10.411 -5.490 -4.120 1.00 0.00 C ATOM 700 CD1 ILE A 45 -13.235 -5.628 -2.439 1.00 0.00 C ATOM 0 H ILE A 45 -12.587 -7.643 -1.681 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.280 -7.267 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.015 -6.748 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.675 -5.988 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.427 -4.548 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.874 -4.629 -3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.754 -6.055 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.282 -5.148 -4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -13.844 -5.054 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.327 -5.200 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.579 -6.662 -2.455 1.00 0.00 H new ATOM 712 N LEU A 46 -9.932 -9.223 -3.243 1.00 0.00 N ATOM 713 CA LEU A 46 -8.915 -10.176 -3.706 1.00 0.00 C ATOM 714 C LEU A 46 -9.541 -11.234 -4.592 1.00 0.00 C ATOM 715 O LEU A 46 -9.171 -11.389 -5.735 1.00 0.00 O ATOM 716 CB LEU A 46 -8.294 -10.856 -2.473 1.00 0.00 C ATOM 717 CG LEU A 46 -6.769 -10.779 -2.565 1.00 0.00 C ATOM 718 CD1 LEU A 46 -6.298 -11.574 -3.786 1.00 0.00 C ATOM 719 CD2 LEU A 46 -6.342 -9.314 -2.710 1.00 0.00 C ATOM 0 H LEU A 46 -10.057 -9.166 -2.232 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.156 -9.645 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.640 -10.368 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.614 -11.897 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.323 -11.198 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.212 -11.523 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.606 -12.615 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.741 -11.152 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.256 -9.256 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.783 -8.894 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.683 -8.748 -1.843 1.00 0.00 H new ATOM 731 N HIS A 47 -10.489 -11.928 -4.048 1.00 0.00 N ATOM 732 CA HIS A 47 -11.166 -12.990 -4.826 1.00 0.00 C ATOM 733 C HIS A 47 -12.045 -12.421 -5.937 1.00 0.00 C ATOM 734 O HIS A 47 -12.531 -13.154 -6.777 1.00 0.00 O ATOM 735 CB HIS A 47 -12.047 -13.789 -3.851 1.00 0.00 C ATOM 736 CG HIS A 47 -11.941 -15.281 -4.169 1.00 0.00 C ATOM 737 ND1 HIS A 47 -10.909 -15.854 -4.577 1.00 0.00 N ATOM 738 CD2 HIS A 47 -12.900 -16.273 -4.077 1.00 0.00 C ATOM 739 CE1 HIS A 47 -11.105 -17.094 -4.753 1.00 0.00 C ATOM 740 NE2 HIS A 47 -12.353 -17.459 -4.460 1.00 0.00 N ATOM 0 H HIS A 47 -10.827 -11.806 -3.093 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.409 -13.615 -5.299 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.732 -13.602 -2.824 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.084 -13.463 -3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.920 -16.130 -3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.346 -17.778 -5.101 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.784 -18.382 -4.510 1.00 0.00 H new ATOM 748 N THR A 48 -12.237 -11.136 -5.930 1.00 0.00 N ATOM 749 CA THR A 48 -13.083 -10.531 -6.987 1.00 0.00 C ATOM 750 C THR A 48 -12.242 -10.136 -8.186 1.00 0.00 C ATOM 751 O THR A 48 -12.408 -10.664 -9.267 1.00 0.00 O ATOM 752 CB THR A 48 -13.746 -9.276 -6.416 1.00 0.00 C ATOM 753 OG1 THR A 48 -14.878 -9.738 -5.709 1.00 0.00 O ATOM 754 CG2 THR A 48 -14.320 -8.400 -7.540 1.00 0.00 C ATOM 0 H THR A 48 -11.850 -10.485 -5.247 1.00 0.00 H new ATOM 0 HA THR A 48 -13.830 -11.258 -7.306 1.00 0.00 H new ATOM 0 HB THR A 48 -13.022 -8.713 -5.827 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.610 -10.017 -4.809 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.786 -7.514 -7.109 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.517 -8.097 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.065 -8.967 -8.098 1.00 0.00 H new ATOM 762 N ALA A 49 -11.350 -9.214 -7.975 1.00 0.00 N ATOM 763 CA ALA A 49 -10.491 -8.774 -9.092 1.00 0.00 C ATOM 764 C ALA A 49 -9.666 -9.938 -9.627 1.00 0.00 C ATOM 765 O ALA A 49 -9.170 -9.887 -10.736 1.00 0.00 O ATOM 766 CB ALA A 49 -9.535 -7.684 -8.573 1.00 0.00 C ATOM 0 H ALA A 49 -11.182 -8.751 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.119 -8.391 -9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.892 -7.347 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.114 -6.842 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.921 -8.091 -7.770 1.00 0.00 H new ATOM 772 N LYS A 50 -9.530 -10.976 -8.836 1.00 0.00 N ATOM 773 CA LYS A 50 -8.731 -12.138 -9.314 1.00 0.00 C ATOM 774 C LYS A 50 -9.529 -13.062 -10.235 1.00 0.00 C ATOM 775 O LYS A 50 -8.971 -13.658 -11.135 1.00 0.00 O ATOM 776 CB LYS A 50 -8.291 -12.960 -8.098 1.00 0.00 C ATOM 777 CG LYS A 50 -7.068 -12.299 -7.457 1.00 0.00 C ATOM 778 CD LYS A 50 -5.803 -12.994 -7.968 1.00 0.00 C ATOM 779 CE LYS A 50 -4.570 -12.363 -7.311 1.00 0.00 C ATOM 780 NZ LYS A 50 -4.631 -12.500 -5.827 1.00 0.00 N ATOM 0 H LYS A 50 -9.929 -11.065 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.885 -11.743 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.104 -13.025 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.051 -13.979 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.041 -11.238 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.126 -12.372 -6.371 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.844 -14.059 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.738 -12.902 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.666 -12.842 -7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.508 -11.309 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.743 -11.560 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.440 -13.099 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.752 -12.936 -5.482 1.00 0.00 H new ATOM 794 N ALA A 51 -10.812 -13.165 -10.005 1.00 0.00 N ATOM 795 CA ALA A 51 -11.636 -14.062 -10.873 1.00 0.00 C ATOM 796 C ALA A 51 -12.327 -13.333 -12.035 1.00 0.00 C ATOM 797 O ALA A 51 -12.875 -13.973 -12.912 1.00 0.00 O ATOM 798 CB ALA A 51 -12.720 -14.697 -9.995 1.00 0.00 C ATOM 0 H ALA A 51 -11.319 -12.677 -9.267 1.00 0.00 H new ATOM 0 HA ALA A 51 -10.962 -14.796 -11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.339 -15.358 -10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.251 -15.271 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.342 -13.914 -9.562 1.00 0.00 H new ATOM 804 N ILE A 52 -12.294 -12.031 -12.036 1.00 0.00 N ATOM 805 CA ILE A 52 -12.961 -11.293 -13.151 1.00 0.00 C ATOM 806 C ILE A 52 -11.987 -10.968 -14.293 1.00 0.00 C ATOM 807 O ILE A 52 -12.266 -11.234 -15.443 1.00 0.00 O ATOM 808 CB ILE A 52 -13.522 -9.978 -12.577 1.00 0.00 C ATOM 809 CG1 ILE A 52 -14.957 -10.187 -12.108 1.00 0.00 C ATOM 810 CG2 ILE A 52 -13.525 -8.904 -13.680 1.00 0.00 C ATOM 811 CD1 ILE A 52 -14.943 -10.907 -10.760 1.00 0.00 C ATOM 0 H ILE A 52 -11.843 -11.451 -11.328 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.750 -11.922 -13.564 1.00 0.00 H new ATOM 0 HB ILE A 52 -12.900 -9.664 -11.739 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.466 -9.228 -12.017 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.511 -10.773 -12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.921 -7.971 -13.279 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.507 -8.743 -14.034 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.149 -9.236 -14.510 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -15.967 -11.060 -10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.449 -11.872 -10.868 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.404 -10.303 -10.030 1.00 0.00 H new ATOM 823 N GLU A 53 -10.875 -10.402 -13.950 1.00 0.00 N ATOM 824 CA GLU A 53 -9.867 -10.044 -14.995 1.00 0.00 C ATOM 825 C GLU A 53 -9.546 -11.202 -15.949 1.00 0.00 C ATOM 826 O GLU A 53 -8.878 -11.002 -16.944 1.00 0.00 O ATOM 827 CB GLU A 53 -8.569 -9.650 -14.280 1.00 0.00 C ATOM 828 CG GLU A 53 -7.874 -10.917 -13.777 1.00 0.00 C ATOM 829 CD GLU A 53 -6.691 -10.524 -12.901 1.00 0.00 C ATOM 830 OE1 GLU A 53 -5.705 -10.105 -13.481 1.00 0.00 O ATOM 831 OE2 GLU A 53 -6.839 -10.662 -11.700 1.00 0.00 O ATOM 0 H GLU A 53 -10.611 -10.168 -12.993 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.286 -9.234 -15.592 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.914 -9.106 -14.961 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.786 -8.983 -13.446 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.574 -11.530 -13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.534 -11.519 -14.620 1.00 0.00 H new ATOM 838 N SER A 54 -10.019 -12.382 -15.644 1.00 0.00 N ATOM 839 CA SER A 54 -9.724 -13.540 -16.547 1.00 0.00 C ATOM 840 C SER A 54 -10.839 -13.821 -17.568 1.00 0.00 C ATOM 841 O SER A 54 -10.628 -14.559 -18.509 1.00 0.00 O ATOM 842 CB SER A 54 -9.553 -14.790 -15.670 1.00 0.00 C ATOM 843 OG SER A 54 -8.310 -14.588 -15.016 1.00 0.00 O ATOM 0 H SER A 54 -10.587 -12.595 -14.824 1.00 0.00 H new ATOM 0 HA SER A 54 -8.825 -13.293 -17.112 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.369 -14.889 -14.954 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.544 -15.700 -16.270 1.00 0.00 H new ATOM 0 HG SER A 54 -8.122 -15.349 -14.428 1.00 0.00 H new ATOM 849 N GLU A 55 -11.991 -13.233 -17.378 1.00 0.00 N ATOM 850 CA GLU A 55 -13.106 -13.486 -18.348 1.00 0.00 C ATOM 851 C GLU A 55 -13.219 -12.431 -19.445 1.00 0.00 C ATOM 852 O GLU A 55 -12.956 -12.705 -20.595 1.00 0.00 O ATOM 853 CB GLU A 55 -14.423 -13.509 -17.560 1.00 0.00 C ATOM 854 CG GLU A 55 -15.468 -14.287 -18.357 1.00 0.00 C ATOM 855 CD GLU A 55 -16.673 -14.577 -17.461 1.00 0.00 C ATOM 856 OE1 GLU A 55 -16.435 -15.099 -16.385 1.00 0.00 O ATOM 857 OE2 GLU A 55 -17.765 -14.262 -17.905 1.00 0.00 O ATOM 0 H GLU A 55 -12.210 -12.599 -16.609 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.895 -14.434 -18.843 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.270 -13.974 -16.586 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.770 -12.492 -17.377 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.779 -13.712 -19.229 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.041 -15.220 -18.725 1.00 0.00 H new ATOM 864 N MET A 56 -13.629 -11.259 -19.080 1.00 0.00 N ATOM 865 CA MET A 56 -13.767 -10.181 -20.098 1.00 0.00 C ATOM 866 C MET A 56 -12.490 -9.996 -20.915 1.00 0.00 C ATOM 867 O MET A 56 -12.489 -9.288 -21.903 1.00 0.00 O ATOM 868 CB MET A 56 -14.075 -8.864 -19.366 1.00 0.00 C ATOM 869 CG MET A 56 -13.457 -8.909 -17.964 1.00 0.00 C ATOM 870 SD MET A 56 -13.402 -7.360 -17.030 1.00 0.00 S ATOM 871 CE MET A 56 -11.882 -6.709 -17.760 1.00 0.00 C ATOM 0 H MET A 56 -13.875 -10.995 -18.126 1.00 0.00 H new ATOM 0 HA MET A 56 -14.567 -10.459 -20.784 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.673 -8.020 -19.927 1.00 0.00 H new ATOM 0 HB3 MET A 56 -15.153 -8.716 -19.297 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.012 -9.639 -17.374 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.437 -9.283 -18.057 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.423 -5.999 -17.072 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.190 -7.529 -17.950 1.00 0.00 H new ATOM 0 HE3 MET A 56 -12.115 -6.206 -18.698 1.00 0.00 H new ATOM 881 N ASN A 57 -11.428 -10.635 -20.495 1.00 0.00 N ATOM 882 CA ASN A 57 -10.140 -10.495 -21.245 1.00 0.00 C ATOM 883 C ASN A 57 -9.869 -11.646 -22.225 1.00 0.00 C ATOM 884 O ASN A 57 -8.902 -11.588 -22.956 1.00 0.00 O ATOM 885 CB ASN A 57 -8.993 -10.425 -20.235 1.00 0.00 C ATOM 886 CG ASN A 57 -8.652 -11.838 -19.752 1.00 0.00 C ATOM 887 OD1 ASN A 57 -9.480 -12.814 -20.013 1.00 0.00 O flip ATOM 888 ND2 ASN A 57 -7.630 -12.065 -19.137 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.394 -11.241 -19.675 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.215 -9.586 -21.842 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.118 -9.965 -20.694 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.276 -9.798 -19.389 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.980 -11.307 -18.930 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.422 -13.014 -18.827 1.00 0.00 H new ATOM 895 N LYS A 58 -10.706 -12.680 -22.212 1.00 0.00 N ATOM 896 CA LYS A 58 -10.475 -13.835 -23.160 1.00 0.00 C ATOM 897 C LYS A 58 -9.862 -13.344 -24.462 1.00 0.00 C ATOM 898 O LYS A 58 -8.700 -13.587 -24.724 1.00 0.00 O ATOM 899 CB LYS A 58 -11.823 -14.499 -23.474 1.00 0.00 C ATOM 900 CG LYS A 58 -11.613 -15.539 -24.583 1.00 0.00 C ATOM 901 CD LYS A 58 -12.680 -16.642 -24.468 1.00 0.00 C ATOM 902 CE LYS A 58 -13.997 -16.166 -25.099 1.00 0.00 C ATOM 903 NZ LYS A 58 -14.616 -17.267 -25.891 1.00 0.00 N ATOM 0 H LYS A 58 -11.518 -12.770 -21.601 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.794 -14.544 -22.690 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.227 -14.976 -22.581 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.548 -13.750 -23.791 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.675 -15.060 -25.560 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.617 -15.974 -24.503 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.334 -17.547 -24.967 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.840 -16.897 -23.420 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.685 -15.838 -24.319 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.811 -15.306 -25.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.506 -16.933 -26.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.964 -17.561 -26.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.811 -18.076 -25.267 1.00 0.00 H new ATOM 917 N VAL A 59 -10.637 -12.666 -25.259 1.00 0.00 N ATOM 918 CA VAL A 59 -10.077 -12.164 -26.531 1.00 0.00 C ATOM 919 C VAL A 59 -10.789 -10.895 -26.946 1.00 0.00 C ATOM 920 O VAL A 59 -11.660 -10.906 -27.791 1.00 0.00 O ATOM 921 CB VAL A 59 -10.294 -13.216 -27.614 1.00 0.00 C ATOM 922 CG1 VAL A 59 -9.973 -12.603 -28.979 1.00 0.00 C ATOM 923 CG2 VAL A 59 -9.367 -14.407 -27.364 1.00 0.00 C ATOM 0 H VAL A 59 -11.617 -12.443 -25.085 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.015 -11.960 -26.399 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.330 -13.553 -27.594 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.126 -13.350 -29.758 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.629 -11.751 -29.159 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.935 -12.271 -28.994 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.523 -15.158 -28.138 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.330 -14.072 -27.387 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.587 -14.841 -26.388 1.00 0.00 H new ATOM 933 N ASN A 60 -10.394 -9.822 -26.332 1.00 0.00 N ATOM 934 CA ASN A 60 -11.004 -8.519 -26.645 1.00 0.00 C ATOM 935 C ASN A 60 -10.078 -7.409 -26.205 1.00 0.00 C ATOM 936 O ASN A 60 -10.255 -6.259 -26.558 1.00 0.00 O ATOM 937 CB ASN A 60 -12.330 -8.384 -25.875 1.00 0.00 C ATOM 938 CG ASN A 60 -13.256 -9.549 -26.243 1.00 0.00 C ATOM 939 OD1 ASN A 60 -13.040 -10.722 -25.715 1.00 0.00 O flip ATOM 940 ND2 ASN A 60 -14.182 -9.399 -27.017 1.00 0.00 N flip ATOM 0 H ASN A 60 -9.665 -9.797 -25.619 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.181 -8.452 -27.718 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.141 -8.381 -24.802 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.808 -7.435 -26.117 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.356 -8.484 -27.433 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -14.785 -10.188 -27.250 1.00 0.00 H new ATOM 947 N ASN A 61 -9.091 -7.784 -25.430 1.00 0.00 N ATOM 948 CA ASN A 61 -8.133 -6.782 -24.931 1.00 0.00 C ATOM 949 C ASN A 61 -7.585 -5.860 -26.000 1.00 0.00 C ATOM 950 O ASN A 61 -8.065 -4.752 -26.157 1.00 0.00 O ATOM 951 CB ASN A 61 -6.952 -7.545 -24.322 1.00 0.00 C ATOM 952 CG ASN A 61 -6.801 -8.893 -25.033 1.00 0.00 C ATOM 953 OD1 ASN A 61 -5.910 -9.013 -25.981 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 -7.493 -9.846 -24.734 1.00 0.00 N flip ATOM 0 H ASN A 61 -8.917 -8.743 -25.128 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.665 -6.154 -24.217 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.036 -6.962 -24.424 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -7.115 -7.699 -23.255 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.190 -9.758 -23.995 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.377 -10.734 -25.222 1.00 0.00 H new ATOM 961 N CYS A 62 -6.602 -6.325 -26.721 1.00 0.00 N ATOM 962 CA CYS A 62 -6.009 -5.473 -27.785 1.00 0.00 C ATOM 963 C CYS A 62 -6.380 -5.889 -29.221 1.00 0.00 C ATOM 964 O CYS A 62 -6.456 -5.056 -30.102 1.00 0.00 O ATOM 965 CB CYS A 62 -4.479 -5.534 -27.628 1.00 0.00 C ATOM 966 SG CYS A 62 -3.478 -5.355 -29.124 1.00 0.00 S ATOM 0 H CYS A 62 -6.188 -7.251 -26.619 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.412 -4.469 -27.655 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.181 -4.753 -26.929 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.226 -6.488 -27.166 1.00 0.00 H new ATOM 0 HG CYS A 62 -3.529 -4.123 -29.535 1.00 0.00 H new ATOM 972 N ASP A 63 -6.603 -7.162 -29.435 1.00 0.00 N ATOM 973 CA ASP A 63 -6.958 -7.617 -30.818 1.00 0.00 C ATOM 974 C ASP A 63 -8.447 -7.569 -31.118 1.00 0.00 C ATOM 975 O ASP A 63 -8.991 -8.492 -31.688 1.00 0.00 O ATOM 976 CB ASP A 63 -6.485 -9.065 -30.981 1.00 0.00 C ATOM 977 CG ASP A 63 -6.173 -9.328 -32.456 1.00 0.00 C ATOM 978 OD1 ASP A 63 -7.113 -9.244 -33.230 1.00 0.00 O ATOM 979 OD2 ASP A 63 -5.015 -9.595 -32.724 1.00 0.00 O ATOM 0 H ASP A 63 -6.556 -7.895 -28.728 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.471 -6.933 -31.513 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.598 -9.242 -30.372 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.254 -9.753 -30.631 1.00 0.00 H new ATOM 984 N THR A 64 -9.079 -6.511 -30.745 1.00 0.00 N ATOM 985 CA THR A 64 -10.525 -6.408 -31.017 1.00 0.00 C ATOM 986 C THR A 64 -10.927 -4.970 -31.162 1.00 0.00 C ATOM 987 O THR A 64 -11.050 -4.453 -32.254 1.00 0.00 O ATOM 988 CB THR A 64 -11.289 -7.023 -29.861 1.00 0.00 C ATOM 989 OG1 THR A 64 -11.029 -8.408 -29.941 1.00 0.00 O ATOM 990 CG2 THR A 64 -12.807 -6.900 -30.080 1.00 0.00 C ATOM 0 H THR A 64 -8.662 -5.714 -30.265 1.00 0.00 H new ATOM 0 HA THR A 64 -10.752 -6.935 -31.944 1.00 0.00 H new ATOM 0 HB THR A 64 -10.999 -6.542 -28.927 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.536 -8.601 -30.766 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.334 -7.348 -29.238 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.079 -5.847 -30.159 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.085 -7.417 -30.998 1.00 0.00 H new ATOM 998 N ASN A 65 -11.121 -4.352 -30.054 1.00 0.00 N ATOM 999 CA ASN A 65 -11.515 -2.942 -30.053 1.00 0.00 C ATOM 1000 C ASN A 65 -10.850 -2.263 -28.864 1.00 0.00 C ATOM 1001 O ASN A 65 -11.495 -1.823 -27.958 1.00 0.00 O ATOM 1002 CB ASN A 65 -13.059 -2.882 -29.927 1.00 0.00 C ATOM 1003 CG ASN A 65 -13.592 -1.680 -30.708 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -13.119 -0.575 -30.567 1.00 0.00 O ATOM 1005 ND2 ASN A 65 -14.578 -1.857 -31.545 1.00 0.00 N ATOM 0 H ASN A 65 -11.021 -4.773 -29.130 1.00 0.00 H new ATOM 0 HA ASN A 65 -11.207 -2.434 -30.967 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.501 -3.802 -30.310 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.345 -2.803 -28.878 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.945 -1.067 -32.075 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.981 -2.786 -31.669 1.00 0.00 H new ATOM 1012 N GLU A 66 -9.546 -2.201 -28.910 1.00 0.00 N ATOM 1013 CA GLU A 66 -8.790 -1.560 -27.790 1.00 0.00 C ATOM 1014 C GLU A 66 -9.505 -0.327 -27.312 1.00 0.00 C ATOM 1015 O GLU A 66 -9.419 0.049 -26.156 1.00 0.00 O ATOM 1016 CB GLU A 66 -7.399 -1.157 -28.306 1.00 0.00 C ATOM 1017 CG GLU A 66 -6.357 -1.399 -27.210 1.00 0.00 C ATOM 1018 CD GLU A 66 -4.968 -1.449 -27.846 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -4.680 -2.478 -28.435 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -4.273 -0.455 -27.709 1.00 0.00 O ATOM 0 H GLU A 66 -8.972 -2.564 -29.671 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.708 -2.265 -26.963 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.148 -1.735 -29.195 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.398 -0.107 -28.598 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.402 -0.604 -26.466 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.567 -2.334 -26.691 1.00 0.00 H new ATOM 1027 N ALA A 67 -10.219 0.266 -28.204 1.00 0.00 N ATOM 1028 CA ALA A 67 -10.955 1.470 -27.850 1.00 0.00 C ATOM 1029 C ALA A 67 -12.099 1.106 -26.928 1.00 0.00 C ATOM 1030 O ALA A 67 -12.322 1.740 -25.916 1.00 0.00 O ATOM 1031 CB ALA A 67 -11.502 2.060 -29.147 1.00 0.00 C ATOM 0 H ALA A 67 -10.321 -0.041 -29.171 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.314 2.189 -27.340 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.063 2.968 -28.926 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -10.675 2.298 -29.816 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.160 1.335 -29.627 1.00 0.00 H new ATOM 1037 N ALA A 68 -12.801 0.080 -27.302 1.00 0.00 N ATOM 1038 CA ALA A 68 -13.935 -0.372 -26.485 1.00 0.00 C ATOM 1039 C ALA A 68 -13.434 -1.177 -25.285 1.00 0.00 C ATOM 1040 O ALA A 68 -13.889 -0.981 -24.176 1.00 0.00 O ATOM 1041 CB ALA A 68 -14.817 -1.267 -27.360 1.00 0.00 C ATOM 0 H ALA A 68 -12.631 -0.465 -28.147 1.00 0.00 H new ATOM 0 HA ALA A 68 -14.495 0.488 -26.118 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.669 -1.618 -26.778 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.174 -0.698 -28.219 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.237 -2.122 -27.707 1.00 0.00 H new ATOM 1047 N TYR A 69 -12.503 -2.082 -25.533 1.00 0.00 N ATOM 1048 CA TYR A 69 -11.967 -2.901 -24.418 1.00 0.00 C ATOM 1049 C TYR A 69 -11.730 -2.029 -23.196 1.00 0.00 C ATOM 1050 O TYR A 69 -12.161 -2.352 -22.108 1.00 0.00 O ATOM 1051 CB TYR A 69 -10.613 -3.527 -24.834 1.00 0.00 C ATOM 1052 CG TYR A 69 -10.193 -4.502 -23.734 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -10.874 -5.695 -23.554 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -9.150 -4.196 -22.877 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -10.518 -6.558 -22.538 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -8.801 -5.063 -21.861 1.00 0.00 C ATOM 1057 CZ TYR A 69 -9.482 -6.248 -21.684 1.00 0.00 C ATOM 1058 OH TYR A 69 -9.130 -7.110 -20.666 1.00 0.00 O ATOM 0 H TYR A 69 -12.104 -2.277 -26.451 1.00 0.00 H new ATOM 0 HA TYR A 69 -12.691 -3.682 -24.184 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.709 -4.045 -25.788 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.858 -2.752 -24.966 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.690 -5.951 -24.214 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.605 -3.272 -23.004 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.057 -7.485 -22.411 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.986 -4.810 -21.198 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.172 -7.024 -20.481 1.00 0.00 H new ATOM 1068 N LYS A 70 -11.048 -0.929 -23.400 1.00 0.00 N ATOM 1069 CA LYS A 70 -10.772 -0.020 -22.259 1.00 0.00 C ATOM 1070 C LYS A 70 -12.040 0.696 -21.808 1.00 0.00 C ATOM 1071 O LYS A 70 -12.413 0.636 -20.653 1.00 0.00 O ATOM 1072 CB LYS A 70 -9.749 1.032 -22.716 1.00 0.00 C ATOM 1073 CG LYS A 70 -8.494 0.321 -23.223 1.00 0.00 C ATOM 1074 CD LYS A 70 -7.588 1.341 -23.916 1.00 0.00 C ATOM 1075 CE LYS A 70 -6.154 0.813 -23.929 1.00 0.00 C ATOM 1076 NZ LYS A 70 -6.143 -0.662 -23.717 1.00 0.00 N ATOM 0 H LYS A 70 -10.676 -0.628 -24.301 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.390 -0.608 -21.424 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.174 1.653 -23.505 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.497 1.696 -21.889 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.966 -0.148 -22.393 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.766 -0.474 -23.918 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.932 1.518 -24.935 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.631 2.297 -23.394 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.679 1.054 -24.880 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.572 1.304 -23.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.222 -1.048 -24.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.302 -0.869 -22.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.897 -1.100 -24.284 1.00 0.00 H new ATOM 1090 N ALA A 71 -12.679 1.359 -22.726 1.00 0.00 N ATOM 1091 CA ALA A 71 -13.923 2.085 -22.368 1.00 0.00 C ATOM 1092 C ALA A 71 -14.942 1.149 -21.727 1.00 0.00 C ATOM 1093 O ALA A 71 -15.208 1.230 -20.543 1.00 0.00 O ATOM 1094 CB ALA A 71 -14.529 2.666 -23.655 1.00 0.00 C ATOM 0 H ALA A 71 -12.396 1.429 -23.703 1.00 0.00 H new ATOM 0 HA ALA A 71 -13.679 2.871 -21.654 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.446 3.205 -23.415 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.817 3.350 -24.116 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.755 1.856 -24.348 1.00 0.00 H new ATOM 1100 N ARG A 72 -15.492 0.274 -22.521 1.00 0.00 N ATOM 1101 CA ARG A 72 -16.496 -0.678 -21.985 1.00 0.00 C ATOM 1102 C ARG A 72 -16.067 -1.236 -20.633 1.00 0.00 C ATOM 1103 O ARG A 72 -16.830 -1.246 -19.700 1.00 0.00 O ATOM 1104 CB ARG A 72 -16.632 -1.838 -22.979 1.00 0.00 C ATOM 1105 CG ARG A 72 -16.877 -1.268 -24.378 1.00 0.00 C ATOM 1106 CD ARG A 72 -18.293 -1.628 -24.830 1.00 0.00 C ATOM 1107 NE ARG A 72 -18.432 -1.313 -26.280 1.00 0.00 N ATOM 1108 CZ ARG A 72 -18.201 -0.099 -26.696 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -18.399 0.899 -25.877 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -17.784 0.077 -27.918 1.00 0.00 N ATOM 0 H ARG A 72 -15.288 0.179 -23.516 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.443 -0.154 -21.852 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.728 -2.447 -22.973 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -17.456 -2.489 -22.688 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.750 -0.185 -24.369 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.146 -1.669 -25.080 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.487 -2.686 -24.654 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.027 -1.068 -24.251 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.705 -2.040 -26.941 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.729 0.722 -24.928 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.223 1.855 -26.186 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.644 -0.727 -28.530 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.598 1.019 -28.263 1.00 0.00 H new ATOM 1124 N TYR A 73 -14.850 -1.688 -20.558 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.351 -2.251 -19.273 1.00 0.00 C ATOM 1126 C TYR A 73 -14.601 -1.296 -18.102 1.00 0.00 C ATOM 1127 O TYR A 73 -15.416 -1.561 -17.239 1.00 0.00 O ATOM 1128 CB TYR A 73 -12.837 -2.467 -19.410 1.00 0.00 C ATOM 1129 CG TYR A 73 -12.216 -2.632 -18.023 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -12.706 -3.573 -17.144 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -11.157 -1.838 -17.631 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -12.146 -3.720 -15.891 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -10.598 -1.985 -16.379 1.00 0.00 C ATOM 1134 CZ TYR A 73 -11.087 -2.927 -15.500 1.00 0.00 C ATOM 1135 OH TYR A 73 -10.525 -3.075 -14.249 1.00 0.00 O ATOM 0 H TYR A 73 -14.180 -1.693 -21.327 1.00 0.00 H new ATOM 0 HA TYR A 73 -14.879 -3.183 -19.070 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.639 -3.351 -20.016 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.383 -1.620 -19.924 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.535 -4.200 -17.438 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.763 -1.096 -18.310 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.540 -4.461 -15.212 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.770 -1.357 -16.085 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.948 -3.867 -14.241 1.00 0.00 H new ATOM 1145 N ARG A 74 -13.891 -0.205 -18.102 1.00 0.00 N ATOM 1146 CA ARG A 74 -14.049 0.795 -17.006 1.00 0.00 C ATOM 1147 C ARG A 74 -15.511 1.173 -16.748 1.00 0.00 C ATOM 1148 O ARG A 74 -15.951 1.197 -15.618 1.00 0.00 O ATOM 1149 CB ARG A 74 -13.282 2.068 -17.410 1.00 0.00 C ATOM 1150 CG ARG A 74 -12.945 2.875 -16.152 1.00 0.00 C ATOM 1151 CD ARG A 74 -11.764 2.215 -15.433 1.00 0.00 C ATOM 1152 NE ARG A 74 -11.175 3.184 -14.467 1.00 0.00 N ATOM 1153 CZ ARG A 74 -9.877 3.228 -14.316 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -9.120 3.204 -15.375 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -9.383 3.299 -13.109 1.00 0.00 N ATOM 0 H ARG A 74 -13.205 0.041 -18.816 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.661 0.349 -16.090 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.368 1.803 -17.942 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.884 2.669 -18.091 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.696 3.902 -16.420 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.810 2.919 -15.491 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.096 1.318 -14.910 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.011 1.902 -16.157 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.778 3.807 -13.929 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.542 3.152 -16.302 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.105 3.238 -15.277 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.007 3.319 -12.303 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.373 3.334 -12.973 1.00 0.00 H new ATOM 1169 N ILE A 75 -16.230 1.464 -17.789 1.00 0.00 N ATOM 1170 CA ILE A 75 -17.663 1.844 -17.606 1.00 0.00 C ATOM 1171 C ILE A 75 -18.496 0.705 -17.015 1.00 0.00 C ATOM 1172 O ILE A 75 -19.285 0.914 -16.116 1.00 0.00 O ATOM 1173 CB ILE A 75 -18.233 2.216 -18.975 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -17.468 3.406 -19.536 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -19.709 2.616 -18.797 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -18.046 3.783 -20.901 1.00 0.00 C ATOM 0 H ILE A 75 -15.897 1.457 -18.753 1.00 0.00 H new ATOM 0 HA ILE A 75 -17.709 2.680 -16.908 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.145 1.370 -19.656 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.538 4.252 -18.853 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.410 3.160 -19.632 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -20.132 2.885 -19.765 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -20.265 1.777 -18.378 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -19.776 3.469 -18.122 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -17.499 4.635 -21.305 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.953 2.937 -21.582 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.098 4.046 -20.791 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.307 -0.472 -17.524 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.084 -1.629 -17.003 1.00 0.00 C ATOM 1190 C ILE A 76 -18.650 -2.001 -15.583 1.00 0.00 C ATOM 1191 O ILE A 76 -19.323 -2.747 -14.899 1.00 0.00 O ATOM 1192 CB ILE A 76 -18.845 -2.816 -17.931 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -19.762 -2.695 -19.138 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -19.188 -4.111 -17.178 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -19.570 -3.907 -20.038 1.00 0.00 C ATOM 0 H ILE A 76 -17.652 -0.687 -18.276 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.140 -1.362 -16.969 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.804 -2.832 -18.254 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.801 -2.628 -18.815 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -19.540 -1.780 -19.688 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -19.021 -4.967 -17.832 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -18.553 -4.198 -16.296 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -20.234 -4.087 -16.871 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -20.226 -3.824 -20.905 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -18.533 -3.953 -20.371 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -19.814 -4.814 -19.484 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.539 -1.468 -15.164 1.00 0.00 N ATOM 1208 CA TYR A 77 -17.044 -1.776 -13.793 1.00 0.00 C ATOM 1209 C TYR A 77 -18.177 -1.773 -12.766 1.00 0.00 C ATOM 1210 O TYR A 77 -18.354 -2.721 -12.029 1.00 0.00 O ATOM 1211 CB TYR A 77 -16.030 -0.695 -13.397 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.626 -0.887 -11.935 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -14.760 -1.899 -11.574 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -16.121 -0.050 -10.954 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -14.395 -2.069 -10.254 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -15.756 -0.221 -9.637 1.00 0.00 C ATOM 1217 CZ TYR A 77 -14.891 -1.230 -9.276 1.00 0.00 C ATOM 1218 OH TYR A 77 -14.531 -1.401 -7.958 1.00 0.00 O ATOM 0 H TYR A 77 -16.953 -0.835 -15.708 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.596 -2.769 -13.803 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -15.151 -0.753 -14.039 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -16.464 0.295 -13.539 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -14.365 -2.562 -12.329 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -16.800 0.746 -11.222 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.716 -2.864 -9.984 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -16.151 0.442 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 77 -14.973 -0.721 -7.407 1.00 0.00 H new ATOM 1228 N SER A 78 -18.924 -0.710 -12.738 1.00 0.00 N ATOM 1229 CA SER A 78 -20.047 -0.635 -11.762 1.00 0.00 C ATOM 1230 C SER A 78 -20.969 -1.835 -11.890 1.00 0.00 C ATOM 1231 O SER A 78 -21.530 -2.294 -10.913 1.00 0.00 O ATOM 1232 CB SER A 78 -20.852 0.640 -12.050 1.00 0.00 C ATOM 1233 OG SER A 78 -21.353 0.443 -13.365 1.00 0.00 O ATOM 0 H SER A 78 -18.810 0.105 -13.341 1.00 0.00 H new ATOM 0 HA SER A 78 -19.636 -0.624 -10.753 1.00 0.00 H new ATOM 0 HB2 SER A 78 -21.660 0.772 -11.331 1.00 0.00 H new ATOM 0 HB3 SER A 78 -20.225 1.529 -11.991 1.00 0.00 H new ATOM 0 HG SER A 78 -21.887 1.220 -13.631 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.114 -2.327 -13.083 1.00 0.00 N ATOM 1240 CA ASN A 79 -21.998 -3.497 -13.279 1.00 0.00 C ATOM 1241 C ASN A 79 -21.307 -4.779 -12.830 1.00 0.00 C ATOM 1242 O ASN A 79 -21.956 -5.769 -12.558 1.00 0.00 O ATOM 1243 CB ASN A 79 -22.338 -3.607 -14.773 1.00 0.00 C ATOM 1244 CG ASN A 79 -23.728 -3.017 -15.019 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -24.682 -3.730 -15.254 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -23.884 -1.723 -14.975 1.00 0.00 N ATOM 0 H ASN A 79 -20.661 -1.971 -13.925 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.902 -3.364 -12.685 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -21.594 -3.076 -15.367 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.312 -4.650 -15.088 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -24.804 -1.314 -15.138 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -23.086 -1.119 -14.778 1.00 0.00 H new ATOM 1253 N VAL A 80 -20.001 -4.743 -12.760 1.00 0.00 N ATOM 1254 CA VAL A 80 -19.273 -5.961 -12.328 1.00 0.00 C ATOM 1255 C VAL A 80 -19.477 -6.182 -10.845 1.00 0.00 C ATOM 1256 O VAL A 80 -19.595 -7.303 -10.390 1.00 0.00 O ATOM 1257 CB VAL A 80 -17.772 -5.774 -12.601 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -16.999 -6.960 -12.014 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -17.545 -5.713 -14.112 1.00 0.00 C ATOM 0 H VAL A 80 -19.420 -3.934 -12.980 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.652 -6.821 -12.880 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.423 -4.850 -12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.934 -6.831 -12.206 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.171 -7.010 -10.939 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.342 -7.884 -12.479 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.482 -5.580 -14.315 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.889 -6.641 -14.569 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -18.102 -4.874 -14.530 1.00 0.00 H new ATOM 1269 N ILE A 81 -19.518 -5.104 -10.108 1.00 0.00 N ATOM 1270 CA ILE A 81 -19.715 -5.240 -8.649 1.00 0.00 C ATOM 1271 C ILE A 81 -21.184 -5.484 -8.344 1.00 0.00 C ATOM 1272 O ILE A 81 -21.535 -5.969 -7.288 1.00 0.00 O ATOM 1273 CB ILE A 81 -19.271 -3.942 -7.956 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -18.431 -3.094 -8.903 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -18.403 -4.312 -6.746 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -17.185 -3.881 -9.320 1.00 0.00 C ATOM 0 H ILE A 81 -19.424 -4.149 -10.454 1.00 0.00 H new ATOM 0 HA ILE A 81 -19.125 -6.081 -8.286 1.00 0.00 H new ATOM 0 HB ILE A 81 -20.153 -3.378 -7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.015 -2.824 -9.783 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.141 -2.163 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -18.078 -3.403 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -18.983 -4.924 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.531 -4.873 -7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -16.583 -3.276 -9.998 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.598 -4.129 -8.435 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.486 -4.799 -9.824 1.00 0.00 H new ATOM 1288 N SER A 82 -22.019 -5.142 -9.287 1.00 0.00 N ATOM 1289 CA SER A 82 -23.474 -5.341 -9.086 1.00 0.00 C ATOM 1290 C SER A 82 -23.907 -6.722 -9.570 1.00 0.00 C ATOM 1291 O SER A 82 -24.381 -7.528 -8.793 1.00 0.00 O ATOM 1292 CB SER A 82 -24.226 -4.273 -9.895 1.00 0.00 C ATOM 1293 OG SER A 82 -24.063 -4.679 -11.245 1.00 0.00 O ATOM 0 H SER A 82 -21.753 -4.735 -10.184 1.00 0.00 H new ATOM 0 HA SER A 82 -23.700 -5.259 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 82 -25.279 -4.231 -9.616 1.00 0.00 H new ATOM 0 HB3 SER A 82 -23.811 -3.279 -9.725 1.00 0.00 H new ATOM 0 HG SER A 82 -24.658 -4.153 -11.819 1.00 0.00 H new ATOM 1299 N LYS A 83 -23.736 -6.962 -10.853 1.00 0.00 N ATOM 1300 CA LYS A 83 -24.128 -8.284 -11.425 1.00 0.00 C ATOM 1301 C LYS A 83 -22.918 -9.003 -12.020 1.00 0.00 C ATOM 1302 O LYS A 83 -21.802 -8.812 -11.578 1.00 0.00 O ATOM 1303 CB LYS A 83 -25.153 -8.039 -12.543 1.00 0.00 C ATOM 1304 CG LYS A 83 -26.412 -7.409 -11.944 1.00 0.00 C ATOM 1305 CD LYS A 83 -27.176 -6.676 -13.049 1.00 0.00 C ATOM 1306 CE LYS A 83 -27.549 -7.674 -14.150 1.00 0.00 C ATOM 1307 NZ LYS A 83 -27.996 -8.967 -13.558 1.00 0.00 N ATOM 0 H LYS A 83 -23.343 -6.299 -11.522 1.00 0.00 H new ATOM 0 HA LYS A 83 -24.546 -8.904 -10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -24.730 -7.382 -13.303 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -25.402 -8.978 -13.037 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -27.042 -8.178 -11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -26.143 -6.715 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -28.075 -6.213 -12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -26.563 -5.874 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -28.343 -7.259 -14.771 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -26.691 -7.843 -14.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -28.621 -9.458 -14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -27.167 -9.562 -13.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -28.512 -8.784 -12.674 1.00 0.00 H new ATOM 1321 N ASN A 84 -23.162 -9.821 -13.015 1.00 0.00 N ATOM 1322 CA ASN A 84 -22.039 -10.558 -13.648 1.00 0.00 C ATOM 1323 C ASN A 84 -22.356 -10.891 -15.106 1.00 0.00 C ATOM 1324 O ASN A 84 -23.078 -11.826 -15.389 1.00 0.00 O ATOM 1325 CB ASN A 84 -21.838 -11.870 -12.879 1.00 0.00 C ATOM 1326 CG ASN A 84 -23.192 -12.556 -12.688 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -24.133 -11.932 -12.034 1.00 0.00 O flip ATOM 1328 ND2 ASN A 84 -23.406 -13.665 -13.133 1.00 0.00 N flip ATOM 0 H ASN A 84 -24.084 -10.005 -13.409 1.00 0.00 H new ATOM 0 HA ASN A 84 -21.143 -9.937 -13.620 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -21.159 -12.525 -13.425 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -21.378 -11.671 -11.911 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -22.675 -14.159 -13.645 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -24.317 -14.103 -12.995 1.00 0.00 H new ATOM 1335 N ASN A 85 -21.802 -10.118 -16.004 1.00 0.00 N ATOM 1336 CA ASN A 85 -22.054 -10.367 -17.449 1.00 0.00 C ATOM 1337 C ASN A 85 -21.605 -9.158 -18.282 1.00 0.00 C ATOM 1338 O ASN A 85 -22.364 -8.239 -18.509 1.00 0.00 O ATOM 1339 CB ASN A 85 -23.571 -10.568 -17.650 1.00 0.00 C ATOM 1340 CG ASN A 85 -23.862 -12.055 -17.878 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -23.391 -12.654 -18.827 1.00 0.00 O ATOM 1342 ND2 ASN A 85 -24.633 -12.688 -17.037 1.00 0.00 N ATOM 0 H ASN A 85 -21.189 -9.329 -15.798 1.00 0.00 H new ATOM 0 HA ASN A 85 -21.497 -11.248 -17.768 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -24.115 -10.209 -16.776 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -23.917 -9.984 -18.503 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -24.837 -13.677 -17.177 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -25.032 -12.193 -16.239 1.00 0.00 H new ATOM 1349 N PRO A 86 -20.361 -9.181 -18.714 1.00 0.00 N ATOM 1350 CA PRO A 86 -19.814 -8.098 -19.511 1.00 0.00 C ATOM 1351 C PRO A 86 -20.396 -8.109 -20.914 1.00 0.00 C ATOM 1352 O PRO A 86 -20.607 -7.072 -21.510 1.00 0.00 O ATOM 1353 CB PRO A 86 -18.297 -8.385 -19.579 1.00 0.00 C ATOM 1354 CG PRO A 86 -18.058 -9.755 -18.877 1.00 0.00 C ATOM 1355 CD PRO A 86 -19.433 -10.276 -18.434 1.00 0.00 C ATOM 0 HA PRO A 86 -20.044 -7.125 -19.077 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -17.957 -8.418 -20.614 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.733 -7.595 -19.084 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.579 -10.459 -19.558 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -17.395 -9.639 -18.020 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -19.709 -11.177 -18.982 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.435 -10.534 -17.375 1.00 0.00 H new ATOM 1363 N ASP A 87 -20.650 -9.285 -21.417 1.00 0.00 N ATOM 1364 CA ASP A 87 -21.215 -9.377 -22.775 1.00 0.00 C ATOM 1365 C ASP A 87 -20.343 -8.588 -23.716 1.00 0.00 C ATOM 1366 O ASP A 87 -20.760 -8.194 -24.787 1.00 0.00 O ATOM 1367 CB ASP A 87 -22.628 -8.771 -22.765 1.00 0.00 C ATOM 1368 CG ASP A 87 -23.575 -9.680 -23.551 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -23.434 -10.882 -23.386 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -24.386 -9.123 -24.273 1.00 0.00 O ATOM 0 H ASP A 87 -20.490 -10.175 -20.945 1.00 0.00 H new ATOM 0 HA ASP A 87 -21.261 -10.417 -23.097 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -22.981 -8.659 -21.740 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -22.612 -7.775 -23.207 1.00 0.00 H new ATOM 1375 N LEU A 88 -19.131 -8.368 -23.286 1.00 0.00 N ATOM 1376 CA LEU A 88 -18.185 -7.601 -24.127 1.00 0.00 C ATOM 1377 C LEU A 88 -18.065 -8.197 -25.527 1.00 0.00 C ATOM 1378 O LEU A 88 -18.527 -7.622 -26.487 1.00 0.00 O ATOM 1379 CB LEU A 88 -16.804 -7.639 -23.462 1.00 0.00 C ATOM 1380 CG LEU A 88 -16.095 -6.298 -23.686 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -16.043 -5.997 -25.186 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -16.870 -5.184 -22.973 1.00 0.00 C ATOM 0 H LEU A 88 -18.761 -8.687 -22.391 1.00 0.00 H new ATOM 0 HA LEU A 88 -18.557 -6.581 -24.220 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -16.907 -7.835 -22.395 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -16.209 -8.452 -23.879 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.082 -6.351 -23.286 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.539 -5.044 -25.349 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.495 -6.789 -25.697 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.057 -5.944 -25.582 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.366 -4.231 -23.132 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -17.882 -5.131 -23.374 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.914 -5.397 -21.905 1.00 0.00 H new ATOM 1579 N PHE A 101 -29.013 -20.693 -29.838 1.00 0.00 N ATOM 1580 CA PHE A 101 -29.469 -21.047 -31.213 1.00 0.00 C ATOM 1581 C PHE A 101 -28.489 -20.556 -32.294 1.00 0.00 C ATOM 1582 O PHE A 101 -28.398 -21.143 -33.352 1.00 0.00 O ATOM 1583 CB PHE A 101 -30.858 -20.384 -31.431 1.00 0.00 C ATOM 1584 CG PHE A 101 -30.843 -19.549 -32.704 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -30.124 -18.374 -32.751 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -31.520 -19.971 -33.830 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -30.078 -17.632 -33.903 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -31.475 -19.228 -34.984 1.00 0.00 C ATOM 1589 CZ PHE A 101 -30.752 -18.056 -35.022 1.00 0.00 C ATOM 0 HA PHE A 101 -29.523 -22.132 -31.301 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -31.630 -21.151 -31.499 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -31.108 -19.755 -30.577 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -29.593 -18.035 -31.874 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -32.088 -20.889 -33.804 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -29.511 -16.713 -33.931 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -32.007 -19.563 -35.862 1.00 0.00 H new ATOM 0 HZ PHE A 101 -30.715 -17.472 -35.930 1.00 0.00 H new ATOM 1599 N LEU A 102 -27.783 -19.496 -32.012 1.00 0.00 N ATOM 1600 CA LEU A 102 -26.817 -18.972 -33.024 1.00 0.00 C ATOM 1601 C LEU A 102 -25.786 -20.025 -33.434 1.00 0.00 C ATOM 1602 O LEU A 102 -25.029 -19.820 -34.362 1.00 0.00 O ATOM 1603 CB LEU A 102 -26.083 -17.753 -32.441 1.00 0.00 C ATOM 1604 CG LEU A 102 -25.509 -18.125 -31.092 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -24.039 -18.517 -31.260 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -25.607 -16.920 -30.150 1.00 0.00 C ATOM 0 H LEU A 102 -27.830 -18.974 -31.137 1.00 0.00 H new ATOM 0 HA LEU A 102 -27.385 -18.695 -33.912 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -25.287 -17.435 -33.114 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -26.770 -16.913 -32.340 1.00 0.00 H new ATOM 0 HG LEU A 102 -26.067 -18.963 -30.674 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -23.621 -18.786 -30.290 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -23.965 -19.369 -31.936 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -23.483 -17.676 -31.674 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -25.194 -17.185 -29.177 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -25.045 -16.085 -30.568 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -26.652 -16.632 -30.035 1.00 0.00 H new ATOM 1618 N ALA A 103 -25.772 -21.130 -32.743 1.00 0.00 N ATOM 1619 CA ALA A 103 -24.794 -22.194 -33.088 1.00 0.00 C ATOM 1620 C ALA A 103 -25.309 -23.074 -34.227 1.00 0.00 C ATOM 1621 O ALA A 103 -24.573 -23.877 -34.766 1.00 0.00 O ATOM 1622 CB ALA A 103 -24.573 -23.071 -31.846 1.00 0.00 C ATOM 0 H ALA A 103 -26.391 -21.340 -31.960 1.00 0.00 H new ATOM 0 HA ALA A 103 -23.865 -21.724 -33.411 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -23.857 -23.859 -32.080 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -24.185 -22.458 -31.032 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -25.520 -23.519 -31.544 1.00 0.00 H new ATOM 1628 N THR A 104 -26.567 -22.900 -34.571 1.00 0.00 N ATOM 1629 CA THR A 104 -27.157 -23.711 -35.672 1.00 0.00 C ATOM 1630 C THR A 104 -27.479 -22.823 -36.858 1.00 0.00 C ATOM 1631 O THR A 104 -27.646 -23.294 -37.966 1.00 0.00 O ATOM 1632 CB THR A 104 -28.456 -24.347 -35.164 1.00 0.00 C ATOM 1633 OG1 THR A 104 -28.106 -24.995 -33.959 1.00 0.00 O ATOM 1634 CG2 THR A 104 -28.911 -25.483 -36.096 1.00 0.00 C ATOM 0 H THR A 104 -27.203 -22.232 -34.135 1.00 0.00 H new ATOM 0 HA THR A 104 -26.446 -24.477 -35.981 1.00 0.00 H new ATOM 0 HB THR A 104 -29.233 -23.587 -35.082 1.00 0.00 H new ATOM 0 HG1 THR A 104 -28.899 -25.425 -33.577 1.00 0.00 H new ATOM 0 HG21 THR A 104 -29.835 -25.919 -35.715 1.00 0.00 H new ATOM 0 HG22 THR A 104 -29.083 -25.086 -37.096 1.00 0.00 H new ATOM 0 HG23 THR A 104 -28.138 -26.251 -36.138 1.00 0.00 H new ATOM 1642 N CYS A 105 -27.565 -21.545 -36.604 1.00 0.00 N ATOM 1643 CA CYS A 105 -27.876 -20.604 -37.701 1.00 0.00 C ATOM 1644 C CYS A 105 -27.001 -20.894 -38.912 1.00 0.00 C ATOM 1645 O CYS A 105 -27.246 -20.398 -39.993 1.00 0.00 O ATOM 1646 CB CYS A 105 -27.590 -19.175 -37.212 1.00 0.00 C ATOM 1647 SG CYS A 105 -25.944 -18.500 -37.540 1.00 0.00 S ATOM 0 H CYS A 105 -27.433 -21.120 -35.686 1.00 0.00 H new ATOM 0 HA CYS A 105 -28.922 -20.714 -37.986 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -28.324 -18.510 -37.666 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -27.758 -19.147 -36.135 1.00 0.00 H new ATOM 0 HG CYS A 105 -25.869 -17.291 -37.067 1.00 0.00 H new ATOM 1653 N ASP A 106 -25.987 -21.690 -38.709 1.00 0.00 N ATOM 1654 CA ASP A 106 -25.093 -22.019 -39.839 1.00 0.00 C ATOM 1655 C ASP A 106 -25.805 -22.923 -40.820 1.00 0.00 C ATOM 1656 O ASP A 106 -26.120 -22.523 -41.922 1.00 0.00 O ATOM 1657 CB ASP A 106 -23.856 -22.748 -39.292 1.00 0.00 C ATOM 1658 CG ASP A 106 -22.859 -22.974 -40.429 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -23.286 -23.547 -41.418 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -21.725 -22.562 -40.245 1.00 0.00 O ATOM 0 H ASP A 106 -25.746 -22.120 -37.816 1.00 0.00 H new ATOM 0 HA ASP A 106 -24.801 -21.101 -40.349 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -23.394 -22.160 -38.499 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -24.147 -23.702 -38.853 1.00 0.00 H new ATOM 1665 N ALA A 107 -26.050 -24.127 -40.407 1.00 0.00 N ATOM 1666 CA ALA A 107 -26.744 -25.062 -41.309 1.00 0.00 C ATOM 1667 C ALA A 107 -28.113 -24.518 -41.648 1.00 0.00 C ATOM 1668 O ALA A 107 -28.800 -25.039 -42.504 1.00 0.00 O ATOM 1669 CB ALA A 107 -26.902 -26.415 -40.596 1.00 0.00 C ATOM 0 H ALA A 107 -25.801 -24.499 -39.491 1.00 0.00 H new ATOM 0 HA ALA A 107 -26.166 -25.185 -42.225 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -27.415 -27.116 -41.255 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -25.918 -26.809 -40.342 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -27.485 -26.280 -39.685 1.00 0.00 H new ATOM 1675 N LYS A 108 -28.489 -23.471 -40.967 1.00 0.00 N ATOM 1676 CA LYS A 108 -29.813 -22.873 -41.233 1.00 0.00 C ATOM 1677 C LYS A 108 -29.769 -22.097 -42.528 1.00 0.00 C ATOM 1678 O LYS A 108 -30.778 -21.904 -43.176 1.00 0.00 O ATOM 1679 CB LYS A 108 -30.164 -21.925 -40.068 1.00 0.00 C ATOM 1680 CG LYS A 108 -31.603 -21.430 -40.225 1.00 0.00 C ATOM 1681 CD LYS A 108 -31.860 -20.321 -39.202 1.00 0.00 C ATOM 1682 CE LYS A 108 -33.266 -19.757 -39.416 1.00 0.00 C ATOM 1683 NZ LYS A 108 -33.245 -18.270 -39.362 1.00 0.00 N ATOM 0 H LYS A 108 -27.936 -23.011 -40.244 1.00 0.00 H new ATOM 0 HA LYS A 108 -30.568 -23.655 -41.317 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -30.049 -22.444 -39.116 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -29.477 -21.079 -40.055 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -31.765 -21.055 -41.236 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -32.303 -22.252 -40.074 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -31.763 -20.713 -38.190 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -31.117 -19.530 -39.310 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -33.653 -20.086 -40.380 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -33.940 -20.145 -38.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -34.207 -17.904 -39.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -32.895 -17.961 -38.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -32.618 -17.904 -40.107 1.00 0.00 H new ATOM 1697 N ASP A 109 -28.597 -21.667 -42.900 1.00 0.00 N ATOM 1698 CA ASP A 109 -28.497 -20.911 -44.158 1.00 0.00 C ATOM 1699 C ASP A 109 -28.807 -21.867 -45.260 1.00 0.00 C ATOM 1700 O ASP A 109 -29.231 -21.498 -46.338 1.00 0.00 O ATOM 1701 CB ASP A 109 -27.065 -20.389 -44.319 1.00 0.00 C ATOM 1702 CG ASP A 109 -26.893 -19.122 -43.481 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -27.437 -18.115 -43.904 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -26.226 -19.231 -42.466 1.00 0.00 O ATOM 0 H ASP A 109 -27.724 -21.807 -42.392 1.00 0.00 H new ATOM 0 HA ASP A 109 -29.182 -20.063 -44.170 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -26.351 -21.149 -44.002 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -26.859 -20.176 -45.368 1.00 0.00 H new ATOM 1709 N LEU A 110 -28.579 -23.102 -44.948 1.00 0.00 N ATOM 1710 CA LEU A 110 -28.832 -24.168 -45.902 1.00 0.00 C ATOM 1711 C LEU A 110 -29.135 -25.439 -45.134 1.00 0.00 C ATOM 1712 O LEU A 110 -28.271 -26.258 -44.891 1.00 0.00 O ATOM 1713 CB LEU A 110 -27.580 -24.387 -46.781 1.00 0.00 C ATOM 1714 CG LEU A 110 -26.338 -23.906 -46.030 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -25.173 -24.859 -46.301 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -25.965 -22.507 -46.523 1.00 0.00 C ATOM 0 H LEU A 110 -28.219 -23.411 -44.045 1.00 0.00 H new ATOM 0 HA LEU A 110 -29.675 -23.903 -46.541 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -27.480 -25.443 -47.033 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -27.683 -23.844 -47.720 1.00 0.00 H new ATOM 0 HG LEU A 110 -26.547 -23.881 -44.960 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -24.289 -24.514 -45.765 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -25.436 -25.861 -45.961 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -24.963 -24.882 -47.370 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -25.080 -22.158 -45.991 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -25.756 -22.542 -47.592 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -26.793 -21.823 -46.337 1.00 0.00 H new ATOM 1728 N ALA A 111 -30.377 -25.568 -44.765 1.00 0.00 N ATOM 1729 CA ALA A 111 -30.805 -26.763 -44.011 1.00 0.00 C ATOM 1730 C ALA A 111 -30.803 -28.053 -44.869 1.00 0.00 C ATOM 1731 O ALA A 111 -30.542 -29.122 -44.357 1.00 0.00 O ATOM 1732 CB ALA A 111 -32.233 -26.517 -43.484 1.00 0.00 C ATOM 0 H ALA A 111 -31.114 -24.890 -44.957 1.00 0.00 H new ATOM 0 HA ALA A 111 -30.093 -26.916 -43.200 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -32.569 -27.389 -42.923 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -32.235 -25.643 -42.832 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -32.906 -26.344 -44.324 1.00 0.00 H new ATOM 1738 N PRO A 112 -31.095 -27.940 -46.170 1.00 0.00 N ATOM 1739 CA PRO A 112 -31.112 -29.119 -47.037 1.00 0.00 C ATOM 1740 C PRO A 112 -29.754 -29.814 -47.072 1.00 0.00 C ATOM 1741 O PRO A 112 -29.546 -30.729 -47.844 1.00 0.00 O ATOM 1742 CB PRO A 112 -31.465 -28.579 -48.437 1.00 0.00 C ATOM 1743 CG PRO A 112 -31.816 -27.069 -48.275 1.00 0.00 C ATOM 1744 CD PRO A 112 -31.423 -26.667 -46.846 1.00 0.00 C ATOM 0 HA PRO A 112 -31.825 -29.861 -46.678 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -30.626 -28.708 -49.121 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -32.308 -29.127 -48.859 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -31.277 -26.467 -49.007 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -32.879 -26.900 -48.444 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -30.570 -25.989 -46.847 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -32.240 -26.151 -46.342 1.00 0.00 H new ATOM 1752 N ALA A 113 -28.857 -29.368 -46.226 1.00 0.00 N ATOM 1753 CA ALA A 113 -27.503 -29.986 -46.189 1.00 0.00 C ATOM 1754 C ALA A 113 -27.007 -30.319 -47.600 1.00 0.00 C ATOM 1755 O ALA A 113 -27.085 -31.448 -48.041 1.00 0.00 O ATOM 1756 CB ALA A 113 -27.595 -31.290 -45.378 1.00 0.00 C ATOM 0 H ALA A 113 -29.007 -28.606 -45.564 1.00 0.00 H new ATOM 0 HA ALA A 113 -26.804 -29.283 -45.736 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -26.614 -31.763 -45.336 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -27.933 -31.066 -44.366 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -28.303 -31.967 -45.856 1.00 0.00 H new