USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 820 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 Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.27) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.156) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 50 TYR OH : rot 0:sc= -1.43 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.756 K(o=-0.76,f=-6.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.4!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.022) USER MOD Single : A 68 TYR OH : rot 166:sc= 1.18 USER MOD Single : A 70 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.17) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 73 SER OG : rot 91:sc= 0.784 USER MOD Single : A 79 LYS NZ :NH3+ -154:sc= -0.0843 (180deg=-0.491) USER MOD Single : A 80 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.1!) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.78! C(o=-1.8!,f=-4.9!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.159 F(o=-0.94,f=-0.16) USER MOD Single : A 92 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 93 TYR OH : rot 53:sc= 0.592 USER MOD Single : A 101 ASN : amide:sc= -4.84! C(o=-4.8!,f=-6.8!) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -2.33 K(o=-2.3,f=-3.1!) USER MOD Single : A 109 TYR OH : rot 81:sc= 0.732 USER MOD Single : A 110 ASN : amide:sc= -6.6! C(o=-6.6!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.216 1.874 4.172 1.00 0.00 N ATOM 144 CA LEU A 13 8.455 2.994 3.629 1.00 0.00 C ATOM 145 C LEU A 13 9.359 3.936 2.841 1.00 0.00 C ATOM 146 O LEU A 13 10.548 4.063 3.134 1.00 0.00 O ATOM 147 CB LEU A 13 7.761 3.759 4.758 1.00 0.00 C ATOM 148 CG LEU A 13 8.633 4.749 5.532 1.00 0.00 C ATOM 149 CD1 LEU A 13 8.597 6.120 4.874 1.00 0.00 C ATOM 150 CD2 LEU A 13 8.180 4.839 6.982 1.00 0.00 C ATOM 0 HA LEU A 13 7.700 2.594 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.916 4.303 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.354 3.035 5.464 1.00 0.00 H new ATOM 0 HG LEU A 13 9.661 4.388 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.223 6.811 5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.970 6.043 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.572 6.489 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.812 5.548 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.144 5.176 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.259 3.858 7.450 1.00 0.00 H new ATOM 162 N LYS A 14 8.787 4.596 1.840 1.00 0.00 N ATOM 163 CA LYS A 14 9.539 5.530 1.011 1.00 0.00 C ATOM 164 C LYS A 14 8.605 6.330 0.107 1.00 0.00 C ATOM 165 O LYS A 14 7.707 5.785 -0.535 1.00 0.00 O ATOM 166 CB LYS A 14 10.566 4.778 0.162 1.00 0.00 C ATOM 167 CG LYS A 14 11.570 5.687 -0.526 1.00 0.00 C ATOM 168 CD LYS A 14 12.718 6.050 0.400 1.00 0.00 C ATOM 169 CE LYS A 14 13.847 6.736 -0.355 1.00 0.00 C ATOM 170 NZ LYS A 14 14.701 5.759 -1.085 1.00 0.00 N ATOM 0 H LYS A 14 7.804 4.501 1.583 1.00 0.00 H new ATOM 0 HA LYS A 14 10.060 6.224 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.103 4.073 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.042 4.193 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.961 5.192 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.070 6.596 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.356 6.707 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.096 5.149 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.428 7.452 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.461 7.302 0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.458 6.266 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.121 5.091 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.121 5.236 -1.772 1.00 0.00 H new ATOM 184 N PRO A 15 8.820 7.652 0.055 1.00 0.00 N ATOM 185 CA PRO A 15 8.008 8.554 -0.769 1.00 0.00 C ATOM 186 C PRO A 15 8.254 8.356 -2.260 1.00 0.00 C ATOM 187 O PRO A 15 9.323 7.916 -2.685 1.00 0.00 O ATOM 188 CB PRO A 15 8.471 9.946 -0.331 1.00 0.00 C ATOM 189 CG PRO A 15 9.855 9.742 0.180 1.00 0.00 C ATOM 190 CD PRO A 15 9.872 8.370 0.794 1.00 0.00 C ATOM 0 HA PRO A 15 6.940 8.381 -0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.456 10.648 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.820 10.355 0.442 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.584 9.817 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.115 10.502 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.844 7.890 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.660 8.405 1.863 1.00 0.00 H new ATOM 198 N PRO A 16 7.243 8.687 -3.077 1.00 0.00 N ATOM 199 CA PRO A 16 7.326 8.555 -4.534 1.00 0.00 C ATOM 200 C PRO A 16 8.286 9.564 -5.154 1.00 0.00 C ATOM 201 O PRO A 16 8.591 10.594 -4.554 1.00 0.00 O ATOM 202 CB PRO A 16 5.892 8.826 -4.998 1.00 0.00 C ATOM 203 CG PRO A 16 5.301 9.671 -3.923 1.00 0.00 C ATOM 204 CD PRO A 16 5.940 9.217 -2.640 1.00 0.00 C ATOM 0 HA PRO A 16 7.708 7.579 -4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.877 9.340 -5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.334 7.898 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.498 10.728 -4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.218 9.551 -3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.057 10.041 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.342 8.454 -2.141 1.00 0.00 H new ATOM 212 N GLU A 17 8.759 9.261 -6.359 1.00 0.00 N ATOM 213 CA GLU A 17 9.686 10.143 -7.059 1.00 0.00 C ATOM 214 C GLU A 17 8.945 11.027 -8.058 1.00 0.00 C ATOM 215 O GLU A 17 9.370 12.146 -8.345 1.00 0.00 O ATOM 216 CB GLU A 17 10.757 9.324 -7.782 1.00 0.00 C ATOM 217 CG GLU A 17 10.189 8.230 -8.671 1.00 0.00 C ATOM 218 CD GLU A 17 11.254 7.547 -9.507 1.00 0.00 C ATOM 219 OE1 GLU A 17 11.960 6.670 -8.967 1.00 0.00 O ATOM 220 OE2 GLU A 17 11.381 7.889 -10.702 1.00 0.00 O ATOM 0 H GLU A 17 8.516 8.413 -6.870 1.00 0.00 H new ATOM 0 HA GLU A 17 10.167 10.783 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.367 9.994 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.418 8.873 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.687 7.487 -8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.434 8.658 -9.330 1.00 0.00 H new ATOM 227 N GLN A 18 7.837 10.515 -8.585 1.00 0.00 N ATOM 228 CA GLN A 18 7.039 11.258 -9.553 1.00 0.00 C ATOM 229 C GLN A 18 5.707 10.560 -9.809 1.00 0.00 C ATOM 230 O GLN A 18 5.648 9.335 -9.909 1.00 0.00 O ATOM 231 CB GLN A 18 7.807 11.415 -10.866 1.00 0.00 C ATOM 232 CG GLN A 18 8.327 10.102 -11.428 1.00 0.00 C ATOM 233 CD GLN A 18 8.435 10.117 -12.940 1.00 0.00 C ATOM 234 OE1 GLN A 18 9.202 10.893 -13.511 1.00 0.00 O ATOM 235 NE2 GLN A 18 7.667 9.257 -13.598 1.00 0.00 N ATOM 0 H GLN A 18 7.472 9.590 -8.358 1.00 0.00 H new ATOM 0 HA GLN A 18 6.837 12.246 -9.139 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.156 11.884 -11.604 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.647 12.091 -10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.307 9.890 -11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.664 9.292 -11.123 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.046 8.632 -13.085 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.698 9.221 -14.617 1.00 0.00 H new ATOM 244 N GLU A 19 4.642 11.348 -9.915 1.00 0.00 N ATOM 245 CA GLU A 19 3.311 10.804 -10.159 1.00 0.00 C ATOM 246 C GLU A 19 3.367 9.662 -11.170 1.00 0.00 C ATOM 247 O GLU A 19 4.064 9.748 -12.181 1.00 0.00 O ATOM 248 CB GLU A 19 2.372 11.901 -10.664 1.00 0.00 C ATOM 249 CG GLU A 19 1.030 11.379 -11.149 1.00 0.00 C ATOM 250 CD GLU A 19 0.002 12.480 -11.319 1.00 0.00 C ATOM 251 OE1 GLU A 19 -0.637 12.854 -10.313 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.165 12.967 -12.456 1.00 0.00 O ATOM 0 H GLU A 19 4.675 12.364 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 19 2.928 10.413 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.204 12.621 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.859 12.438 -11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.167 10.865 -12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.653 10.642 -10.440 1.00 0.00 H new ATOM 259 N ILE A 20 2.629 8.594 -10.888 1.00 0.00 N ATOM 260 CA ILE A 20 2.594 7.436 -11.772 1.00 0.00 C ATOM 261 C ILE A 20 1.232 7.299 -12.445 1.00 0.00 C ATOM 262 O ILE A 20 0.319 8.081 -12.185 1.00 0.00 O ATOM 263 CB ILE A 20 2.910 6.136 -11.010 1.00 0.00 C ATOM 264 CG1 ILE A 20 1.845 5.872 -9.944 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.291 6.215 -10.378 1.00 0.00 C ATOM 266 CD1 ILE A 20 1.606 4.402 -9.679 1.00 0.00 C ATOM 0 H ILE A 20 2.047 8.507 -10.055 1.00 0.00 H new ATOM 0 HA ILE A 20 3.358 7.597 -12.532 1.00 0.00 H new ATOM 0 HB ILE A 20 2.902 5.307 -11.717 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.145 6.356 -9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.908 6.334 -10.256 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.500 5.289 -9.843 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.040 6.361 -11.157 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.325 7.052 -9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.839 4.290 -8.913 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.275 3.916 -10.597 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.531 3.939 -9.336 1.00 0.00 H new ATOM 278 N GLU A 21 1.104 6.298 -13.311 1.00 0.00 N ATOM 279 CA GLU A 21 -0.148 6.058 -14.020 1.00 0.00 C ATOM 280 C GLU A 21 -0.739 4.704 -13.638 1.00 0.00 C ATOM 281 O GLU A 21 -0.020 3.711 -13.525 1.00 0.00 O ATOM 282 CB GLU A 21 0.078 6.120 -15.532 1.00 0.00 C ATOM 283 CG GLU A 21 0.320 7.526 -16.055 1.00 0.00 C ATOM 284 CD GLU A 21 1.789 7.901 -16.061 1.00 0.00 C ATOM 285 OE1 GLU A 21 2.474 7.637 -15.050 1.00 0.00 O ATOM 286 OE2 GLU A 21 2.254 8.459 -17.077 1.00 0.00 O ATOM 0 H GLU A 21 1.851 5.641 -13.538 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.854 6.837 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.932 5.494 -15.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.790 5.698 -16.038 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.076 7.606 -17.067 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.230 8.238 -15.440 1.00 0.00 H new ATOM 293 N ILE A 22 -2.052 4.673 -13.440 1.00 0.00 N ATOM 294 CA ILE A 22 -2.740 3.442 -13.072 1.00 0.00 C ATOM 295 C ILE A 22 -3.849 3.113 -14.066 1.00 0.00 C ATOM 296 O ILE A 22 -4.482 4.009 -14.624 1.00 0.00 O ATOM 297 CB ILE A 22 -3.345 3.537 -11.658 1.00 0.00 C ATOM 298 CG1 ILE A 22 -2.237 3.712 -10.617 1.00 0.00 C ATOM 299 CG2 ILE A 22 -4.175 2.299 -11.354 1.00 0.00 C ATOM 300 CD1 ILE A 22 -1.365 2.487 -10.451 1.00 0.00 C ATOM 0 H ILE A 22 -2.661 5.486 -13.528 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.994 2.647 -13.087 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.999 4.408 -11.615 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.611 4.557 -10.903 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.688 3.960 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.596 2.380 -10.352 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.983 2.215 -12.081 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.542 1.414 -11.411 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.602 2.683 -9.698 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.979 1.644 -10.135 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.885 2.251 -11.401 1.00 0.00 H new ATOM 312 N ASP A 23 -4.079 1.823 -14.281 1.00 0.00 N ATOM 313 CA ASP A 23 -5.114 1.374 -15.205 1.00 0.00 C ATOM 314 C ASP A 23 -6.275 0.732 -14.452 1.00 0.00 C ATOM 315 O ASP A 23 -6.121 -0.325 -13.840 1.00 0.00 O ATOM 316 CB ASP A 23 -4.532 0.382 -16.213 1.00 0.00 C ATOM 317 CG ASP A 23 -3.728 1.065 -17.301 1.00 0.00 C ATOM 318 OD1 ASP A 23 -3.485 2.284 -17.181 1.00 0.00 O ATOM 319 OD2 ASP A 23 -3.341 0.381 -18.272 1.00 0.00 O ATOM 0 H ASP A 23 -3.563 1.069 -13.828 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.491 2.245 -15.741 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.896 -0.332 -15.690 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.343 -0.187 -16.668 1.00 0.00 H new ATOM 324 N ARG A 24 -7.435 1.379 -14.500 1.00 0.00 N ATOM 325 CA ARG A 24 -8.621 0.872 -13.820 1.00 0.00 C ATOM 326 C ARG A 24 -9.163 -0.368 -14.525 1.00 0.00 C ATOM 327 O ARG A 24 -10.126 -0.981 -14.068 1.00 0.00 O ATOM 328 CB ARG A 24 -9.702 1.953 -13.762 1.00 0.00 C ATOM 329 CG ARG A 24 -9.180 3.314 -13.332 1.00 0.00 C ATOM 330 CD ARG A 24 -9.246 3.485 -11.823 1.00 0.00 C ATOM 331 NE ARG A 24 -9.434 4.881 -11.437 1.00 0.00 N ATOM 332 CZ ARG A 24 -8.496 5.812 -11.570 1.00 0.00 C ATOM 333 NH1 ARG A 24 -7.312 5.498 -12.076 1.00 0.00 N ATOM 334 NH2 ARG A 24 -8.742 7.061 -11.196 1.00 0.00 N ATOM 0 H ARG A 24 -7.579 2.255 -15.002 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.338 0.596 -12.804 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.165 2.045 -14.744 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.483 1.637 -13.070 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.150 3.432 -13.668 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.764 4.098 -13.814 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.065 2.886 -11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.328 3.106 -11.375 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.334 5.156 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.119 4.539 -12.365 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.594 6.215 -12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.652 7.307 -10.806 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.021 7.775 -11.298 1.00 0.00 H new ATOM 348 N ASN A 25 -8.537 -0.730 -15.640 1.00 0.00 N ATOM 349 CA ASN A 25 -8.958 -1.896 -16.408 1.00 0.00 C ATOM 350 C ASN A 25 -7.807 -2.886 -16.568 1.00 0.00 C ATOM 351 O ASN A 25 -7.946 -3.911 -17.235 1.00 0.00 O ATOM 352 CB ASN A 25 -9.472 -1.468 -17.784 1.00 0.00 C ATOM 353 CG ASN A 25 -10.626 -0.489 -17.691 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.692 -0.816 -17.171 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.417 0.721 -18.197 1.00 0.00 N ATOM 0 H ASN A 25 -7.737 -0.233 -16.032 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.764 -2.387 -15.863 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.658 -1.013 -18.348 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.791 -2.350 -18.340 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.157 1.423 -18.164 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.517 0.949 -18.619 1.00 0.00 H new ATOM 362 N ILE A 26 -6.674 -2.571 -15.951 1.00 0.00 N ATOM 363 CA ILE A 26 -5.500 -3.433 -16.023 1.00 0.00 C ATOM 364 C ILE A 26 -4.763 -3.471 -14.689 1.00 0.00 C ATOM 365 O ILE A 26 -4.518 -2.432 -14.074 1.00 0.00 O ATOM 366 CB ILE A 26 -4.527 -2.968 -17.122 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.229 -2.952 -18.482 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.303 -3.871 -17.163 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.939 -1.650 -18.779 1.00 0.00 C ATOM 0 H ILE A 26 -6.543 -1.726 -15.396 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.858 -4.434 -16.266 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.199 -1.954 -16.891 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.494 -3.142 -19.264 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.952 -3.767 -18.519 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.625 -3.529 -17.945 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.793 -3.837 -16.200 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.613 -4.895 -17.373 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.414 -1.710 -19.758 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.698 -1.468 -18.018 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.218 -0.833 -18.775 1.00 0.00 H new ATOM 381 N ILE A 27 -4.410 -4.674 -14.248 1.00 0.00 N ATOM 382 CA ILE A 27 -3.697 -4.846 -12.988 1.00 0.00 C ATOM 383 C ILE A 27 -2.246 -5.246 -13.228 1.00 0.00 C ATOM 384 O ILE A 27 -1.938 -6.424 -13.405 1.00 0.00 O ATOM 385 CB ILE A 27 -4.371 -5.910 -12.102 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.859 -5.595 -11.930 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.681 -5.985 -10.748 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.594 -6.600 -11.072 1.00 0.00 C ATOM 0 H ILE A 27 -4.606 -5.543 -14.744 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.726 -3.885 -12.475 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.278 -6.880 -12.591 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.964 -4.605 -11.486 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.330 -5.555 -12.912 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.168 -6.741 -10.133 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.633 -6.251 -10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.746 -5.017 -10.252 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.643 -6.314 -10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.521 -7.588 -11.526 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.149 -6.624 -10.077 1.00 0.00 H new ATOM 400 N GLN A 28 -1.358 -4.257 -13.231 1.00 0.00 N ATOM 401 CA GLN A 28 0.062 -4.506 -13.448 1.00 0.00 C ATOM 402 C GLN A 28 0.734 -4.983 -12.165 1.00 0.00 C ATOM 403 O GLN A 28 0.305 -4.638 -11.064 1.00 0.00 O ATOM 404 CB GLN A 28 0.752 -3.240 -13.958 1.00 0.00 C ATOM 405 CG GLN A 28 0.008 -2.557 -15.095 1.00 0.00 C ATOM 406 CD GLN A 28 0.210 -1.055 -15.105 1.00 0.00 C ATOM 407 OE1 GLN A 28 1.307 -0.562 -14.842 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.851 -0.317 -15.410 1.00 0.00 N ATOM 0 H GLN A 28 -1.597 -3.276 -13.086 1.00 0.00 H new ATOM 0 HA GLN A 28 0.156 -5.290 -14.199 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.860 -2.537 -13.132 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.757 -3.494 -14.294 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.345 -2.971 -16.045 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.056 -2.776 -15.011 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.742 -0.767 -15.621 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.775 0.700 -15.433 1.00 0.00 H new ATOM 417 N GLU A 29 1.788 -5.779 -12.314 1.00 0.00 N ATOM 418 CA GLU A 29 2.517 -6.304 -11.166 1.00 0.00 C ATOM 419 C GLU A 29 2.791 -5.203 -10.145 1.00 0.00 C ATOM 420 O GLU A 29 2.671 -5.417 -8.940 1.00 0.00 O ATOM 421 CB GLU A 29 3.835 -6.937 -11.616 1.00 0.00 C ATOM 422 CG GLU A 29 4.766 -5.966 -12.324 1.00 0.00 C ATOM 423 CD GLU A 29 5.912 -6.665 -13.028 1.00 0.00 C ATOM 424 OE1 GLU A 29 6.936 -6.937 -12.367 1.00 0.00 O ATOM 425 OE2 GLU A 29 5.786 -6.940 -14.240 1.00 0.00 O ATOM 0 H GLU A 29 2.156 -6.074 -13.218 1.00 0.00 H new ATOM 0 HA GLU A 29 1.898 -7.067 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.346 -7.349 -10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.619 -7.772 -12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.197 -5.387 -13.051 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.168 -5.259 -11.598 1.00 0.00 H new ATOM 432 N GLU A 30 3.159 -4.025 -10.639 1.00 0.00 N ATOM 433 CA GLU A 30 3.452 -2.891 -9.771 1.00 0.00 C ATOM 434 C GLU A 30 2.492 -2.853 -8.585 1.00 0.00 C ATOM 435 O GLU A 30 2.878 -2.492 -7.473 1.00 0.00 O ATOM 436 CB GLU A 30 3.361 -1.581 -10.557 1.00 0.00 C ATOM 437 CG GLU A 30 4.672 -1.171 -11.207 1.00 0.00 C ATOM 438 CD GLU A 30 4.857 -1.783 -12.582 1.00 0.00 C ATOM 439 OE1 GLU A 30 4.169 -1.340 -13.526 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.689 -2.704 -12.715 1.00 0.00 O ATOM 0 H GLU A 30 3.261 -3.831 -11.635 1.00 0.00 H new ATOM 0 HA GLU A 30 4.467 -3.009 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.598 -1.682 -11.329 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.033 -0.787 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.709 -0.085 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.501 -1.470 -10.565 1.00 0.00 H new ATOM 447 N GLU A 31 1.240 -3.226 -8.832 1.00 0.00 N ATOM 448 CA GLU A 31 0.225 -3.232 -7.785 1.00 0.00 C ATOM 449 C GLU A 31 0.209 -4.570 -7.051 1.00 0.00 C ATOM 450 O GLU A 31 0.262 -4.619 -5.822 1.00 0.00 O ATOM 451 CB GLU A 31 -1.155 -2.948 -8.380 1.00 0.00 C ATOM 452 CG GLU A 31 -1.277 -1.567 -9.003 1.00 0.00 C ATOM 453 CD GLU A 31 -0.500 -1.441 -10.299 1.00 0.00 C ATOM 454 OE1 GLU A 31 -0.980 -1.953 -11.332 1.00 0.00 O ATOM 455 OE2 GLU A 31 0.590 -0.830 -10.280 1.00 0.00 O ATOM 0 H GLU A 31 0.905 -3.528 -9.747 1.00 0.00 H new ATOM 0 HA GLU A 31 0.473 -2.447 -7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.376 -3.700 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.907 -3.052 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.328 -1.349 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.919 -0.820 -8.295 1.00 0.00 H new ATOM 462 N LYS A 32 0.133 -5.656 -7.814 1.00 0.00 N ATOM 463 CA LYS A 32 0.110 -6.995 -7.240 1.00 0.00 C ATOM 464 C LYS A 32 1.264 -7.188 -6.261 1.00 0.00 C ATOM 465 O LYS A 32 1.196 -8.029 -5.366 1.00 0.00 O ATOM 466 CB LYS A 32 0.185 -8.049 -8.347 1.00 0.00 C ATOM 467 CG LYS A 32 -0.911 -7.915 -9.390 1.00 0.00 C ATOM 468 CD LYS A 32 -0.867 -9.053 -10.395 1.00 0.00 C ATOM 469 CE LYS A 32 -2.074 -9.028 -11.319 1.00 0.00 C ATOM 470 NZ LYS A 32 -1.863 -9.867 -12.532 1.00 0.00 N ATOM 0 H LYS A 32 0.086 -5.634 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.828 -7.113 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.155 -7.978 -8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.128 -9.040 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.883 -7.901 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.804 -6.964 -9.911 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.046 -8.983 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.832 -10.006 -9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.952 -9.384 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.280 -8.001 -11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.709 -9.823 -13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.041 -9.512 -13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.692 -10.852 -12.247 1.00 0.00 H new ATOM 484 N GLN A 33 2.321 -6.402 -6.438 1.00 0.00 N ATOM 485 CA GLN A 33 3.489 -6.486 -5.570 1.00 0.00 C ATOM 486 C GLN A 33 3.220 -5.812 -4.228 1.00 0.00 C ATOM 487 O GLN A 33 3.792 -6.191 -3.206 1.00 0.00 O ATOM 488 CB GLN A 33 4.701 -5.840 -6.244 1.00 0.00 C ATOM 489 CG GLN A 33 5.282 -6.671 -7.377 1.00 0.00 C ATOM 490 CD GLN A 33 6.514 -6.039 -7.992 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.389 -5.539 -7.284 1.00 0.00 O ATOM 492 NE2 GLN A 33 6.591 -6.058 -9.318 1.00 0.00 N ATOM 0 H GLN A 33 2.392 -5.700 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 33 3.701 -7.540 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.413 -4.863 -6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.475 -5.670 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.536 -7.662 -7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.524 -6.806 -8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.843 -6.483 -9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.398 -5.648 -9.788 1.00 0.00 H new ATOM 501 N ALA A 34 2.346 -4.811 -4.239 1.00 0.00 N ATOM 502 CA ALA A 34 2.000 -4.085 -3.024 1.00 0.00 C ATOM 503 C ALA A 34 0.660 -4.555 -2.467 1.00 0.00 C ATOM 504 O ALA A 34 0.330 -4.287 -1.311 1.00 0.00 O ATOM 505 CB ALA A 34 1.966 -2.589 -3.294 1.00 0.00 C ATOM 0 H ALA A 34 1.864 -4.484 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 34 2.767 -4.290 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.706 -2.060 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.946 -2.259 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.221 -2.374 -4.060 1.00 0.00 H new ATOM 511 N ILE A 35 -0.107 -5.255 -3.295 1.00 0.00 N ATOM 512 CA ILE A 35 -1.410 -5.762 -2.884 1.00 0.00 C ATOM 513 C ILE A 35 -1.567 -7.235 -3.247 1.00 0.00 C ATOM 514 O ILE A 35 -2.597 -7.666 -3.765 1.00 0.00 O ATOM 515 CB ILE A 35 -2.555 -4.961 -3.532 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.230 -3.466 -3.521 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.865 -5.229 -2.807 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.244 -2.854 -2.138 1.00 0.00 C ATOM 0 H ILE A 35 0.151 -5.484 -4.255 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.465 -5.649 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.663 -5.283 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.247 -3.313 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.950 -2.941 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.665 -4.656 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.100 -6.292 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.770 -4.931 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.005 -1.793 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.233 -2.975 -1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.504 -3.352 -1.512 1.00 0.00 H new ATOM 530 N PRO A 36 -0.522 -8.028 -2.966 1.00 0.00 N ATOM 531 CA PRO A 36 -0.519 -9.465 -3.252 1.00 0.00 C ATOM 532 C PRO A 36 -1.473 -10.238 -2.347 1.00 0.00 C ATOM 533 O PRO A 36 -1.648 -11.446 -2.503 1.00 0.00 O ATOM 534 CB PRO A 36 0.929 -9.879 -2.980 1.00 0.00 C ATOM 535 CG PRO A 36 1.435 -8.870 -2.008 1.00 0.00 C ATOM 536 CD PRO A 36 0.738 -7.581 -2.348 1.00 0.00 C ATOM 0 HA PRO A 36 -0.854 -9.679 -4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.982 -10.887 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.520 -9.878 -3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.218 -9.172 -0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.517 -8.761 -2.086 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.557 -6.975 -1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.329 -6.973 -3.034 1.00 0.00 H new ATOM 544 N GLU A 37 -2.087 -9.532 -1.403 1.00 0.00 N ATOM 545 CA GLU A 37 -3.023 -10.154 -0.473 1.00 0.00 C ATOM 546 C GLU A 37 -4.295 -10.593 -1.193 1.00 0.00 C ATOM 547 O GLU A 37 -4.997 -11.497 -0.741 1.00 0.00 O ATOM 548 CB GLU A 37 -3.373 -9.184 0.658 1.00 0.00 C ATOM 549 CG GLU A 37 -4.310 -8.066 0.232 1.00 0.00 C ATOM 550 CD GLU A 37 -4.845 -7.274 1.409 1.00 0.00 C ATOM 551 OE1 GLU A 37 -5.187 -7.897 2.437 1.00 0.00 O ATOM 552 OE2 GLU A 37 -4.924 -6.032 1.304 1.00 0.00 O ATOM 0 H GLU A 37 -1.954 -8.531 -1.262 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.543 -11.036 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.833 -9.741 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.454 -8.747 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.783 -7.393 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.145 -8.490 -0.326 1.00 0.00 H new ATOM 559 N PHE A 38 -4.585 -9.944 -2.316 1.00 0.00 N ATOM 560 CA PHE A 38 -5.773 -10.266 -3.099 1.00 0.00 C ATOM 561 C PHE A 38 -5.430 -11.216 -4.243 1.00 0.00 C ATOM 562 O PHE A 38 -6.315 -11.814 -4.854 1.00 0.00 O ATOM 563 CB PHE A 38 -6.404 -8.988 -3.656 1.00 0.00 C ATOM 564 CG PHE A 38 -7.412 -8.366 -2.732 1.00 0.00 C ATOM 565 CD1 PHE A 38 -8.634 -8.980 -2.504 1.00 0.00 C ATOM 566 CD2 PHE A 38 -7.139 -7.168 -2.092 1.00 0.00 C ATOM 567 CE1 PHE A 38 -9.564 -8.410 -1.655 1.00 0.00 C ATOM 568 CE2 PHE A 38 -8.065 -6.594 -1.241 1.00 0.00 C ATOM 569 CZ PHE A 38 -9.279 -7.216 -1.023 1.00 0.00 C ATOM 0 H PHE A 38 -4.014 -9.193 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.488 -10.760 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.616 -8.263 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.886 -9.215 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.862 -9.914 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.192 -6.677 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.513 -8.898 -1.486 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.840 -5.660 -0.747 1.00 0.00 H new ATOM 0 HZ PHE A 38 -10.004 -6.769 -0.359 1.00 0.00 H new ATOM 579 N PHE A 39 -4.138 -11.350 -4.525 1.00 0.00 N ATOM 580 CA PHE A 39 -3.677 -12.226 -5.596 1.00 0.00 C ATOM 581 C PHE A 39 -2.849 -13.380 -5.036 1.00 0.00 C ATOM 582 O PHE A 39 -2.167 -14.085 -5.779 1.00 0.00 O ATOM 583 CB PHE A 39 -2.849 -11.435 -6.610 1.00 0.00 C ATOM 584 CG PHE A 39 -3.432 -10.090 -6.941 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.485 -9.977 -7.833 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.925 -8.939 -6.359 1.00 0.00 C ATOM 587 CE1 PHE A 39 -5.024 -8.742 -8.139 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.460 -7.701 -6.661 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.510 -7.602 -7.553 1.00 0.00 C ATOM 0 H PHE A 39 -3.392 -10.864 -4.027 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.553 -12.639 -6.096 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.841 -11.299 -6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.758 -12.018 -7.526 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.890 -10.865 -8.295 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.103 -9.010 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.846 -8.668 -8.835 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.057 -6.811 -6.200 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.928 -6.635 -7.792 1.00 0.00 H new ATOM 599 N GLU A 40 -2.914 -13.563 -3.721 1.00 0.00 N ATOM 600 CA GLU A 40 -2.170 -14.630 -3.062 1.00 0.00 C ATOM 601 C GLU A 40 -2.750 -15.997 -3.413 1.00 0.00 C ATOM 602 O GLU A 40 -2.201 -17.032 -3.038 1.00 0.00 O ATOM 603 CB GLU A 40 -2.187 -14.431 -1.545 1.00 0.00 C ATOM 604 CG GLU A 40 -3.585 -14.300 -0.964 1.00 0.00 C ATOM 605 CD GLU A 40 -3.575 -14.088 0.538 1.00 0.00 C ATOM 606 OE1 GLU A 40 -2.856 -14.831 1.238 1.00 0.00 O ATOM 607 OE2 GLU A 40 -4.288 -13.178 1.012 1.00 0.00 O ATOM 0 H GLU A 40 -3.473 -12.987 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.140 -14.591 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.683 -15.273 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.615 -13.537 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.096 -13.464 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.157 -15.198 -1.197 1.00 0.00 H new ATOM 614 N GLY A 41 -3.865 -15.991 -4.138 1.00 0.00 N ATOM 615 CA GLY A 41 -4.502 -17.235 -4.528 1.00 0.00 C ATOM 616 C GLY A 41 -5.776 -17.502 -3.751 1.00 0.00 C ATOM 617 O GLY A 41 -6.801 -17.864 -4.331 1.00 0.00 O ATOM 0 H GLY A 41 -4.338 -15.147 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.729 -17.205 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.806 -18.060 -4.374 1.00 0.00 H new ATOM 621 N ARG A 42 -5.713 -17.326 -2.435 1.00 0.00 N ATOM 622 CA ARG A 42 -6.870 -17.554 -1.578 1.00 0.00 C ATOM 623 C ARG A 42 -8.155 -17.105 -2.268 1.00 0.00 C ATOM 624 O ARG A 42 -8.129 -16.249 -3.152 1.00 0.00 O ATOM 625 CB ARG A 42 -6.704 -16.809 -0.252 1.00 0.00 C ATOM 626 CG ARG A 42 -5.463 -17.218 0.525 1.00 0.00 C ATOM 627 CD ARG A 42 -5.668 -18.541 1.246 1.00 0.00 C ATOM 628 NE ARG A 42 -5.701 -19.670 0.320 1.00 0.00 N ATOM 629 CZ ARG A 42 -6.125 -20.883 0.655 1.00 0.00 C ATOM 630 NH1 ARG A 42 -6.550 -21.123 1.888 1.00 0.00 N ATOM 631 NH2 ARG A 42 -6.124 -21.859 -0.244 1.00 0.00 N ATOM 0 H ARG A 42 -4.873 -17.026 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.939 -18.624 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.662 -15.738 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.584 -16.985 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.617 -17.301 -0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.214 -16.442 1.249 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.865 -18.688 1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.601 -18.506 1.809 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.381 -19.518 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.552 -20.375 2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.875 -22.056 2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.797 -21.678 -1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.450 -22.790 0.014 1.00 0.00 H new ATOM 645 N GLN A 43 -9.276 -17.689 -1.857 1.00 0.00 N ATOM 646 CA GLN A 43 -10.570 -17.350 -2.437 1.00 0.00 C ATOM 647 C GLN A 43 -11.167 -16.123 -1.757 1.00 0.00 C ATOM 648 O GLN A 43 -11.732 -15.249 -2.414 1.00 0.00 O ATOM 649 CB GLN A 43 -11.533 -18.533 -2.317 1.00 0.00 C ATOM 650 CG GLN A 43 -12.940 -18.225 -2.804 1.00 0.00 C ATOM 651 CD GLN A 43 -13.840 -19.444 -2.797 1.00 0.00 C ATOM 652 OE1 GLN A 43 -14.158 -20.002 -3.848 1.00 0.00 O ATOM 653 NE2 GLN A 43 -14.256 -19.867 -1.609 1.00 0.00 N ATOM 0 H GLN A 43 -9.314 -18.399 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.417 -17.120 -3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -11.136 -19.373 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.579 -18.849 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.378 -17.452 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.890 -17.821 -3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.968 -19.375 -0.763 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.863 -20.684 -1.542 1.00 0.00 H new ATOM 662 N ALA A 44 -11.038 -16.064 -0.435 1.00 0.00 N ATOM 663 CA ALA A 44 -11.563 -14.943 0.334 1.00 0.00 C ATOM 664 C ALA A 44 -11.215 -13.613 -0.326 1.00 0.00 C ATOM 665 O ALA A 44 -12.098 -12.813 -0.637 1.00 0.00 O ATOM 666 CB ALA A 44 -11.027 -14.983 1.758 1.00 0.00 C ATOM 0 H ALA A 44 -10.574 -16.780 0.125 1.00 0.00 H new ATOM 0 HA ALA A 44 -12.649 -15.031 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -11.427 -14.140 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -11.331 -15.915 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.939 -14.923 1.739 1.00 0.00 H new ATOM 672 N LYS A 45 -9.924 -13.382 -0.537 1.00 0.00 N ATOM 673 CA LYS A 45 -9.459 -12.149 -1.161 1.00 0.00 C ATOM 674 C LYS A 45 -9.393 -12.298 -2.678 1.00 0.00 C ATOM 675 O LYS A 45 -8.476 -12.922 -3.212 1.00 0.00 O ATOM 676 CB LYS A 45 -8.081 -11.766 -0.616 1.00 0.00 C ATOM 677 CG LYS A 45 -7.995 -11.803 0.900 1.00 0.00 C ATOM 678 CD LYS A 45 -6.951 -10.830 1.423 1.00 0.00 C ATOM 679 CE LYS A 45 -7.193 -10.488 2.885 1.00 0.00 C ATOM 680 NZ LYS A 45 -7.368 -11.709 3.720 1.00 0.00 N ATOM 0 H LYS A 45 -9.180 -14.033 -0.285 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.171 -11.359 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.334 -12.443 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.829 -10.764 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.968 -11.558 1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.748 -12.813 1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.958 -11.264 1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.971 -9.918 0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.354 -9.906 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.080 -9.861 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.276 -11.458 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.310 -12.115 3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.640 -12.408 3.470 1.00 0.00 H new ATOM 694 N THR A 46 -10.372 -11.720 -3.367 1.00 0.00 N ATOM 695 CA THR A 46 -10.426 -11.789 -4.822 1.00 0.00 C ATOM 696 C THR A 46 -9.851 -10.526 -5.453 1.00 0.00 C ATOM 697 O THR A 46 -9.898 -9.438 -4.878 1.00 0.00 O ATOM 698 CB THR A 46 -11.869 -11.988 -5.323 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.632 -10.796 -5.105 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.532 -13.157 -4.611 1.00 0.00 C ATOM 0 H THR A 46 -11.138 -11.199 -2.941 1.00 0.00 H new ATOM 0 HA THR A 46 -9.825 -12.648 -5.120 1.00 0.00 H new ATOM 0 HB THR A 46 -11.833 -12.206 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.548 -10.930 -5.428 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.550 -13.278 -4.981 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.965 -14.068 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.556 -12.963 -3.539 1.00 0.00 H new ATOM 708 N PRO A 47 -9.295 -10.669 -6.666 1.00 0.00 N ATOM 709 CA PRO A 47 -8.701 -9.550 -7.402 1.00 0.00 C ATOM 710 C PRO A 47 -9.749 -8.557 -7.892 1.00 0.00 C ATOM 711 O PRO A 47 -9.478 -7.363 -8.011 1.00 0.00 O ATOM 712 CB PRO A 47 -8.012 -10.230 -8.588 1.00 0.00 C ATOM 713 CG PRO A 47 -8.762 -11.503 -8.781 1.00 0.00 C ATOM 714 CD PRO A 47 -9.204 -11.936 -7.411 1.00 0.00 C ATOM 0 HA PRO A 47 -8.025 -8.965 -6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.054 -9.606 -9.481 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.959 -10.418 -8.380 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.619 -11.355 -9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.131 -12.261 -9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.163 -12.453 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.488 -12.620 -6.955 1.00 0.00 H new ATOM 722 N GLU A 48 -10.947 -9.060 -8.176 1.00 0.00 N ATOM 723 CA GLU A 48 -12.036 -8.216 -8.654 1.00 0.00 C ATOM 724 C GLU A 48 -12.434 -7.191 -7.596 1.00 0.00 C ATOM 725 O GLU A 48 -12.811 -6.064 -7.919 1.00 0.00 O ATOM 726 CB GLU A 48 -13.246 -9.072 -9.032 1.00 0.00 C ATOM 727 CG GLU A 48 -13.209 -9.579 -10.464 1.00 0.00 C ATOM 728 CD GLU A 48 -14.253 -10.645 -10.732 1.00 0.00 C ATOM 729 OE1 GLU A 48 -14.264 -11.661 -10.006 1.00 0.00 O ATOM 730 OE2 GLU A 48 -15.060 -10.464 -11.668 1.00 0.00 O ATOM 0 H GLU A 48 -11.187 -10.047 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.687 -7.683 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.303 -9.924 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.154 -8.487 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.365 -8.743 -11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.219 -9.983 -10.677 1.00 0.00 H new ATOM 737 N ARG A 49 -12.350 -7.591 -6.331 1.00 0.00 N ATOM 738 CA ARG A 49 -12.704 -6.710 -5.226 1.00 0.00 C ATOM 739 C ARG A 49 -11.666 -5.603 -5.060 1.00 0.00 C ATOM 740 O ARG A 49 -12.012 -4.428 -4.929 1.00 0.00 O ATOM 741 CB ARG A 49 -12.825 -7.509 -3.927 1.00 0.00 C ATOM 742 CG ARG A 49 -13.822 -6.921 -2.941 1.00 0.00 C ATOM 743 CD ARG A 49 -13.986 -7.811 -1.719 1.00 0.00 C ATOM 744 NE ARG A 49 -14.702 -7.133 -0.641 1.00 0.00 N ATOM 745 CZ ARG A 49 -14.834 -7.633 0.583 1.00 0.00 C ATOM 746 NH1 ARG A 49 -14.301 -8.810 0.882 1.00 0.00 N ATOM 747 NH2 ARG A 49 -15.499 -6.956 1.510 1.00 0.00 N ATOM 0 H ARG A 49 -12.040 -8.520 -6.047 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.666 -6.252 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.121 -8.531 -4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.846 -7.564 -3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.487 -5.931 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.787 -6.792 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.525 -8.716 -1.999 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.004 -8.122 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.124 -6.226 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.789 -9.333 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.403 -9.192 1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.910 -6.050 1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.599 -7.341 2.449 1.00 0.00 H new ATOM 761 N TYR A 50 -10.394 -5.986 -5.065 1.00 0.00 N ATOM 762 CA TYR A 50 -9.307 -5.027 -4.912 1.00 0.00 C ATOM 763 C TYR A 50 -9.449 -3.879 -5.907 1.00 0.00 C ATOM 764 O TYR A 50 -9.132 -2.730 -5.597 1.00 0.00 O ATOM 765 CB TYR A 50 -7.957 -5.720 -5.106 1.00 0.00 C ATOM 766 CG TYR A 50 -6.850 -4.782 -5.532 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.325 -3.848 -4.647 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.328 -4.831 -6.819 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.315 -2.988 -5.033 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.317 -3.976 -7.212 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.814 -3.057 -6.316 1.00 0.00 C ATOM 772 OH TYR A 50 -3.806 -2.203 -6.703 1.00 0.00 O ATOM 0 H TYR A 50 -10.091 -6.954 -5.173 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.357 -4.618 -3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.671 -6.207 -4.174 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.065 -6.505 -5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.713 -3.794 -3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.719 -5.550 -7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.920 -2.266 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.923 -4.027 -8.216 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.566 -1.620 -5.953 1.00 0.00 H new ATOM 782 N LEU A 51 -9.928 -4.198 -7.104 1.00 0.00 N ATOM 783 CA LEU A 51 -10.113 -3.195 -8.147 1.00 0.00 C ATOM 784 C LEU A 51 -11.191 -2.191 -7.750 1.00 0.00 C ATOM 785 O LEU A 51 -10.966 -0.981 -7.769 1.00 0.00 O ATOM 786 CB LEU A 51 -10.488 -3.867 -9.469 1.00 0.00 C ATOM 787 CG LEU A 51 -9.321 -4.259 -10.376 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.815 -5.083 -11.555 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.583 -3.020 -10.861 1.00 0.00 C ATOM 0 H LEU A 51 -10.196 -5.144 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.172 -2.660 -8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.067 -4.764 -9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.143 -3.194 -10.023 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.626 -4.869 -9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.971 -5.353 -12.189 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.298 -5.989 -11.189 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.531 -4.499 -12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.756 -3.318 -11.505 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.268 -2.384 -11.421 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.195 -2.469 -10.004 1.00 0.00 H new ATOM 801 N LYS A 52 -12.364 -2.702 -7.389 1.00 0.00 N ATOM 802 CA LYS A 52 -13.477 -1.852 -6.984 1.00 0.00 C ATOM 803 C LYS A 52 -13.009 -0.762 -6.026 1.00 0.00 C ATOM 804 O LYS A 52 -13.180 0.428 -6.293 1.00 0.00 O ATOM 805 CB LYS A 52 -14.572 -2.692 -6.323 1.00 0.00 C ATOM 806 CG LYS A 52 -15.639 -1.862 -5.629 1.00 0.00 C ATOM 807 CD LYS A 52 -16.653 -1.316 -6.620 1.00 0.00 C ATOM 808 CE LYS A 52 -17.997 -1.058 -5.957 1.00 0.00 C ATOM 809 NZ LYS A 52 -19.056 -0.741 -6.955 1.00 0.00 N ATOM 0 H LYS A 52 -12.568 -3.701 -7.369 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.882 -1.376 -7.877 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.045 -3.318 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.115 -3.363 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.149 -2.473 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.169 -1.036 -5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.277 -0.390 -7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.780 -2.024 -7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.292 -1.935 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.902 -0.231 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.957 -0.572 -6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.787 0.111 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.165 -1.540 -7.611 1.00 0.00 H new ATOM 823 N ILE A 53 -12.417 -1.175 -4.911 1.00 0.00 N ATOM 824 CA ILE A 53 -11.922 -0.233 -3.914 1.00 0.00 C ATOM 825 C ILE A 53 -10.908 0.728 -4.524 1.00 0.00 C ATOM 826 O ILE A 53 -11.070 1.947 -4.450 1.00 0.00 O ATOM 827 CB ILE A 53 -11.270 -0.963 -2.725 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.282 -1.894 -2.053 1.00 0.00 C ATOM 829 CG2 ILE A 53 -10.722 0.042 -1.723 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.648 -3.092 -1.382 1.00 0.00 C ATOM 0 H ILE A 53 -12.268 -2.156 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 53 -12.784 0.330 -3.555 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.441 -1.565 -3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.847 -1.329 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.996 -2.242 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.264 -0.489 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.974 0.669 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.535 0.667 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.424 -3.707 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.107 -3.680 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.955 -2.753 -0.611 1.00 0.00 H new ATOM 842 N ARG A 54 -9.862 0.173 -5.127 1.00 0.00 N ATOM 843 CA ARG A 54 -8.821 0.981 -5.750 1.00 0.00 C ATOM 844 C ARG A 54 -9.427 2.003 -6.709 1.00 0.00 C ATOM 845 O ARG A 54 -9.412 3.203 -6.443 1.00 0.00 O ATOM 846 CB ARG A 54 -7.831 0.087 -6.499 1.00 0.00 C ATOM 847 CG ARG A 54 -6.457 0.713 -6.673 1.00 0.00 C ATOM 848 CD ARG A 54 -5.633 -0.031 -7.713 1.00 0.00 C ATOM 849 NE ARG A 54 -6.190 0.112 -9.055 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.730 -0.544 -10.115 1.00 0.00 C ATOM 851 NH1 ARG A 54 -4.712 -1.384 -9.988 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.289 -0.361 -11.304 1.00 0.00 N ATOM 0 H ARG A 54 -9.713 -0.834 -5.197 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.291 1.517 -4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.726 -0.855 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.240 -0.150 -7.481 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.566 1.756 -6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.930 0.708 -5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.610 0.346 -7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.586 -1.088 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.975 0.750 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.280 -1.528 -9.075 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.361 -1.886 -10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.073 0.284 -11.405 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.935 -0.865 -12.117 1.00 0.00 H new ATOM 866 N ASN A 55 -9.958 1.516 -7.825 1.00 0.00 N ATOM 867 CA ASN A 55 -10.568 2.386 -8.824 1.00 0.00 C ATOM 868 C ASN A 55 -11.398 3.480 -8.159 1.00 0.00 C ATOM 869 O ASN A 55 -11.388 4.632 -8.594 1.00 0.00 O ATOM 870 CB ASN A 55 -11.447 1.569 -9.774 1.00 0.00 C ATOM 871 CG ASN A 55 -10.683 0.447 -10.449 1.00 0.00 C ATOM 872 OD1 ASN A 55 -9.604 0.058 -10.000 1.00 0.00 O ATOM 873 ND2 ASN A 55 -11.239 -0.079 -11.533 1.00 0.00 N ATOM 0 H ASN A 55 -9.978 0.524 -8.061 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.769 2.858 -9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.286 1.150 -9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.866 2.228 -10.534 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.771 -0.837 -12.030 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.135 0.275 -11.870 1.00 0.00 H new ATOM 880 N TYR A 56 -12.115 3.111 -7.104 1.00 0.00 N ATOM 881 CA TYR A 56 -12.952 4.060 -6.379 1.00 0.00 C ATOM 882 C TYR A 56 -12.108 5.172 -5.765 1.00 0.00 C ATOM 883 O TYR A 56 -12.341 6.355 -6.016 1.00 0.00 O ATOM 884 CB TYR A 56 -13.744 3.342 -5.285 1.00 0.00 C ATOM 885 CG TYR A 56 -14.809 4.203 -4.645 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.478 5.160 -3.693 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.147 4.059 -4.991 1.00 0.00 C ATOM 888 CE1 TYR A 56 -15.448 5.948 -3.105 1.00 0.00 C ATOM 889 CE2 TYR A 56 -17.124 4.844 -4.409 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.769 5.786 -3.467 1.00 0.00 C ATOM 891 OH TYR A 56 -17.739 6.569 -2.884 1.00 0.00 O ATOM 0 H TYR A 56 -12.134 2.162 -6.731 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.649 4.507 -7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.213 2.455 -5.710 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.054 2.999 -4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.444 5.290 -3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.428 3.321 -5.727 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -15.174 6.687 -2.366 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -18.159 4.720 -4.690 1.00 0.00 H new ATOM 0 HH TYR A 56 -18.616 6.330 -3.250 1.00 0.00 H new ATOM 901 N ILE A 57 -11.125 4.784 -4.959 1.00 0.00 N ATOM 902 CA ILE A 57 -10.245 5.747 -4.309 1.00 0.00 C ATOM 903 C ILE A 57 -9.512 6.602 -5.337 1.00 0.00 C ATOM 904 O ILE A 57 -9.489 7.830 -5.238 1.00 0.00 O ATOM 905 CB ILE A 57 -9.210 5.047 -3.409 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.914 4.264 -2.299 1.00 0.00 C ATOM 907 CG2 ILE A 57 -8.246 6.065 -2.818 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.989 3.353 -1.522 1.00 0.00 C ATOM 0 H ILE A 57 -10.918 3.809 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.877 6.386 -3.692 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.638 4.345 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.381 4.967 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.714 3.668 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.521 5.554 -2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.724 6.582 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.802 6.789 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.556 2.830 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.541 2.626 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.203 3.946 -1.054 1.00 0.00 H new ATOM 920 N LEU A 58 -8.914 5.946 -6.326 1.00 0.00 N ATOM 921 CA LEU A 58 -8.181 6.646 -7.375 1.00 0.00 C ATOM 922 C LEU A 58 -9.068 7.678 -8.064 1.00 0.00 C ATOM 923 O LEU A 58 -8.579 8.677 -8.592 1.00 0.00 O ATOM 924 CB LEU A 58 -7.647 5.648 -8.404 1.00 0.00 C ATOM 925 CG LEU A 58 -6.257 5.075 -8.126 1.00 0.00 C ATOM 926 CD1 LEU A 58 -5.950 3.931 -9.079 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.199 6.164 -8.239 1.00 0.00 C ATOM 0 H LEU A 58 -8.922 4.931 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.342 7.166 -6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.352 4.819 -8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.628 6.136 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.243 4.686 -7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.957 3.536 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.690 3.141 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.983 4.294 -10.106 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.216 5.738 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.214 6.583 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.408 6.951 -7.515 1.00 0.00 H new ATOM 939 N ASP A 59 -10.373 7.431 -8.052 1.00 0.00 N ATOM 940 CA ASP A 59 -11.329 8.341 -8.672 1.00 0.00 C ATOM 941 C ASP A 59 -11.566 9.563 -7.791 1.00 0.00 C ATOM 942 O ASP A 59 -11.514 10.699 -8.263 1.00 0.00 O ATOM 943 CB ASP A 59 -12.653 7.622 -8.935 1.00 0.00 C ATOM 944 CG ASP A 59 -13.768 8.579 -9.305 1.00 0.00 C ATOM 945 OD1 ASP A 59 -13.494 9.559 -10.030 1.00 0.00 O ATOM 946 OD2 ASP A 59 -14.916 8.349 -8.871 1.00 0.00 O ATOM 0 H ASP A 59 -10.793 6.608 -7.620 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.911 8.676 -9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.517 6.899 -9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.941 7.060 -8.046 1.00 0.00 H new ATOM 951 N GLN A 60 -11.826 9.322 -6.511 1.00 0.00 N ATOM 952 CA GLN A 60 -12.073 10.404 -5.565 1.00 0.00 C ATOM 953 C GLN A 60 -10.871 11.339 -5.481 1.00 0.00 C ATOM 954 O GLN A 60 -11.025 12.559 -5.425 1.00 0.00 O ATOM 955 CB GLN A 60 -12.390 9.836 -4.180 1.00 0.00 C ATOM 956 CG GLN A 60 -13.565 8.872 -4.172 1.00 0.00 C ATOM 957 CD GLN A 60 -14.799 9.450 -4.838 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.155 10.607 -4.613 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.458 8.645 -5.663 1.00 0.00 N ATOM 0 H GLN A 60 -11.871 8.388 -6.105 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.930 10.975 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.508 9.324 -3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.602 10.660 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.279 7.952 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.804 8.605 -3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.127 7.693 -5.820 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.296 8.978 -6.140 1.00 0.00 H new ATOM 968 N TRP A 61 -9.677 10.759 -5.475 1.00 0.00 N ATOM 969 CA TRP A 61 -8.448 11.541 -5.398 1.00 0.00 C ATOM 970 C TRP A 61 -8.511 12.746 -6.330 1.00 0.00 C ATOM 971 O TRP A 61 -8.236 13.873 -5.921 1.00 0.00 O ATOM 972 CB TRP A 61 -7.241 10.670 -5.750 1.00 0.00 C ATOM 973 CG TRP A 61 -6.108 11.442 -6.356 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.525 11.222 -7.572 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.421 12.554 -5.774 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.517 12.132 -7.780 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.433 12.961 -6.692 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.545 13.248 -4.567 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.576 14.028 -6.439 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.694 14.307 -4.317 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.720 14.690 -5.250 1.00 0.00 C ATOM 0 H TRP A 61 -9.533 9.750 -5.522 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.340 11.902 -4.375 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.889 10.169 -4.849 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.554 9.892 -6.446 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.814 10.447 -8.267 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.926 12.182 -8.610 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.293 12.961 -3.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.824 14.323 -7.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.780 14.849 -3.387 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.071 15.524 -5.026 1.00 0.00 H new ATOM 992 N GLU A 62 -8.874 12.499 -7.585 1.00 0.00 N ATOM 993 CA GLU A 62 -8.971 13.566 -8.575 1.00 0.00 C ATOM 994 C GLU A 62 -10.173 14.463 -8.292 1.00 0.00 C ATOM 995 O GLU A 62 -10.144 15.662 -8.570 1.00 0.00 O ATOM 996 CB GLU A 62 -9.081 12.977 -9.983 1.00 0.00 C ATOM 997 CG GLU A 62 -8.342 11.660 -10.151 1.00 0.00 C ATOM 998 CD GLU A 62 -7.954 11.388 -11.591 1.00 0.00 C ATOM 999 OE1 GLU A 62 -8.679 11.846 -12.499 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -6.924 10.717 -11.811 1.00 0.00 O ATOM 0 H GLU A 62 -9.105 11.571 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.066 14.170 -8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.133 12.827 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.690 13.698 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.444 11.670 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.970 10.846 -9.788 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.226 13.873 -7.738 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.437 14.618 -7.416 1.00 0.00 C ATOM 1009 C ILE A 63 -12.148 15.732 -6.416 1.00 0.00 C ATOM 1010 O ILE A 63 -12.908 16.695 -6.307 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.529 13.697 -6.841 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.117 12.815 -7.944 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.621 14.521 -6.176 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -15.041 11.736 -7.427 1.00 0.00 C ATOM 0 H ILE A 63 -11.265 12.881 -7.503 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.796 15.054 -8.348 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.078 13.051 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.663 13.443 -8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.302 12.349 -8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.385 13.856 -5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.190 15.110 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.071 15.189 -6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.420 11.150 -8.264 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.494 11.084 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.876 12.195 -6.898 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.045 15.595 -5.689 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.654 16.591 -4.697 1.00 0.00 C ATOM 1028 C CYS A 64 -9.361 17.288 -5.108 1.00 0.00 C ATOM 1029 O CYS A 64 -9.164 18.471 -4.827 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.481 15.935 -3.326 1.00 0.00 C ATOM 1031 SG CYS A 64 -11.998 15.862 -2.346 1.00 0.00 S ATOM 0 H CYS A 64 -10.405 14.804 -5.767 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.445 17.338 -4.636 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.102 14.923 -3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.725 16.484 -2.765 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.751 15.289 -1.206 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.480 16.547 -5.772 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.205 17.093 -6.221 1.00 0.00 C ATOM 1039 C LYS A 65 -7.374 18.520 -6.733 1.00 0.00 C ATOM 1040 O LYS A 65 -8.449 18.924 -7.175 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.610 16.213 -7.323 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.016 16.634 -8.724 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.297 15.815 -9.783 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.841 16.234 -9.918 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.679 17.385 -10.850 1.00 0.00 N ATOM 0 H LYS A 65 -8.626 15.566 -6.011 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.525 17.109 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.523 16.236 -7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.920 15.181 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.093 16.517 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.792 17.691 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.350 14.757 -9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.802 15.935 -10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.448 16.503 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.252 15.390 -10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.673 17.640 -10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.031 17.121 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.220 18.199 -10.494 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.286 19.303 -6.673 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.001 18.834 -6.148 1.00 0.00 C ATOM 1061 C PRO A 66 -5.039 18.605 -4.641 1.00 0.00 C ATOM 1062 O PRO A 66 -4.122 18.015 -4.068 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.040 19.975 -6.491 1.00 0.00 C ATOM 1064 CG PRO A 66 -4.905 21.184 -6.582 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.229 20.707 -7.113 1.00 0.00 C ATOM 0 HA PRO A 66 -4.713 17.873 -6.574 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.275 20.092 -5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.522 19.787 -7.431 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.023 21.654 -5.606 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.465 21.930 -7.244 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.057 21.289 -6.709 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.280 20.791 -8.199 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.105 19.075 -4.002 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.264 18.920 -2.561 1.00 0.00 C ATOM 1075 C LYS A 67 -6.068 17.466 -2.145 1.00 0.00 C ATOM 1076 O LYS A 67 -6.307 16.548 -2.930 1.00 0.00 O ATOM 1077 CB LYS A 67 -7.650 19.403 -2.126 1.00 0.00 C ATOM 1078 CG LYS A 67 -7.715 20.896 -1.853 1.00 0.00 C ATOM 1079 CD LYS A 67 -7.385 21.705 -3.096 1.00 0.00 C ATOM 1080 CE LYS A 67 -7.284 23.190 -2.784 1.00 0.00 C ATOM 1081 NZ LYS A 67 -8.591 23.755 -2.348 1.00 0.00 N ATOM 0 H LYS A 67 -6.872 19.567 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.503 19.526 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.373 19.152 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.948 18.864 -1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.712 21.159 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.017 21.152 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.443 21.356 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.153 21.542 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.541 23.347 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.934 23.724 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.501 24.784 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.314 23.553 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.872 23.323 -1.445 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.632 17.263 -0.907 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.403 15.921 -0.387 1.00 0.00 C ATOM 1097 C TYR A 68 -6.719 15.165 -0.231 1.00 0.00 C ATOM 1098 O TYR A 68 -7.794 15.765 -0.202 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.678 15.989 0.958 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.450 14.635 1.592 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -5.409 14.062 2.419 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -3.275 13.929 1.365 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -5.205 12.826 3.000 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -3.063 12.692 1.942 1.00 0.00 C ATOM 1105 CZ TYR A 68 -4.030 12.145 2.758 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.822 10.913 3.336 1.00 0.00 O ATOM 0 H TYR A 68 -5.430 18.012 -0.244 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.779 15.384 -1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.716 16.482 0.818 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.257 16.609 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.330 14.593 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.515 14.355 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.961 12.395 3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.144 12.156 1.755 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.069 10.467 2.894 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.626 13.843 -0.131 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.808 13.002 0.023 1.00 0.00 C ATOM 1118 C LEU A 69 -7.603 11.972 1.128 1.00 0.00 C ATOM 1119 O LEU A 69 -6.681 11.160 1.070 1.00 0.00 O ATOM 1120 CB LEU A 69 -8.131 12.296 -1.295 1.00 0.00 C ATOM 1121 CG LEU A 69 -9.113 11.127 -1.208 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.547 11.630 -1.261 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.854 10.128 -2.326 1.00 0.00 C ATOM 0 H LEU A 69 -5.744 13.331 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.646 13.642 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.535 13.033 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.199 11.930 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.962 10.621 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.232 10.784 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.727 12.306 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.712 12.161 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.562 9.303 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.976 10.621 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.838 9.743 -2.242 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.472 12.009 2.133 1.00 0.00 N ATOM 1136 CA ASN A 70 -8.387 11.077 3.252 1.00 0.00 C ATOM 1137 C ASN A 70 -9.152 9.792 2.948 1.00 0.00 C ATOM 1138 O ASN A 70 -10.186 9.815 2.281 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.938 11.723 4.524 1.00 0.00 C ATOM 1140 CG ASN A 70 -8.069 12.865 5.016 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -7.195 12.674 5.863 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -8.305 14.059 4.486 1.00 0.00 N ATOM 0 H ASN A 70 -9.243 12.674 2.196 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.337 10.827 3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.945 12.093 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.018 10.968 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.752 14.865 4.778 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.039 14.171 3.787 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.636 8.672 3.444 1.00 0.00 N ATOM 1150 CA LYS A 71 -9.270 7.377 3.228 1.00 0.00 C ATOM 1151 C LYS A 71 -10.677 7.355 3.818 1.00 0.00 C ATOM 1152 O LYS A 71 -11.609 6.830 3.208 1.00 0.00 O ATOM 1153 CB LYS A 71 -8.427 6.263 3.853 1.00 0.00 C ATOM 1154 CG LYS A 71 -8.321 6.355 5.365 1.00 0.00 C ATOM 1155 CD LYS A 71 -7.497 5.214 5.937 1.00 0.00 C ATOM 1156 CE LYS A 71 -7.448 5.268 7.456 1.00 0.00 C ATOM 1157 NZ LYS A 71 -6.338 6.132 7.945 1.00 0.00 N ATOM 0 H LYS A 71 -7.780 8.635 3.998 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.342 7.211 2.153 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.859 5.299 3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.425 6.293 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.867 7.307 5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.319 6.339 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.922 4.262 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.484 5.260 5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.397 5.646 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.325 4.260 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.339 6.143 8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.430 5.757 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.469 7.100 7.589 1.00 0.00 H new ATOM 1171 N THR A 72 -10.825 7.931 5.007 1.00 0.00 N ATOM 1172 CA THR A 72 -12.117 7.977 5.679 1.00 0.00 C ATOM 1173 C THR A 72 -13.187 8.574 4.771 1.00 0.00 C ATOM 1174 O THR A 72 -14.381 8.362 4.982 1.00 0.00 O ATOM 1175 CB THR A 72 -12.046 8.800 6.979 1.00 0.00 C ATOM 1176 OG1 THR A 72 -13.119 8.431 7.852 1.00 0.00 O ATOM 1177 CG2 THR A 72 -12.117 10.290 6.681 1.00 0.00 C ATOM 0 H THR A 72 -10.065 8.372 5.524 1.00 0.00 H new ATOM 0 HA THR A 72 -12.383 6.949 5.923 1.00 0.00 H new ATOM 0 HB THR A 72 -11.094 8.588 7.465 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.066 8.958 8.677 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.065 10.851 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.282 10.573 6.041 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.055 10.515 6.174 1.00 0.00 H new ATOM 1185 N SER A 73 -12.751 9.320 3.761 1.00 0.00 N ATOM 1186 CA SER A 73 -13.672 9.950 2.823 1.00 0.00 C ATOM 1187 C SER A 73 -14.434 8.899 2.021 1.00 0.00 C ATOM 1188 O SER A 73 -15.591 9.102 1.651 1.00 0.00 O ATOM 1189 CB SER A 73 -12.912 10.879 1.875 1.00 0.00 C ATOM 1190 OG SER A 73 -12.085 11.777 2.594 1.00 0.00 O ATOM 0 H SER A 73 -11.766 9.503 3.572 1.00 0.00 H new ATOM 0 HA SER A 73 -14.390 10.536 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.303 10.287 1.192 1.00 0.00 H new ATOM 0 HB3 SER A 73 -13.620 11.441 1.266 1.00 0.00 H new ATOM 0 HG SER A 73 -11.195 11.383 2.706 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.777 7.775 1.756 1.00 0.00 N ATOM 1197 CA VAL A 74 -14.391 6.690 0.999 1.00 0.00 C ATOM 1198 C VAL A 74 -14.945 5.616 1.929 1.00 0.00 C ATOM 1199 O VAL A 74 -15.711 4.750 1.506 1.00 0.00 O ATOM 1200 CB VAL A 74 -13.385 6.044 0.028 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.854 7.076 -0.956 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -12.246 5.392 0.796 1.00 0.00 C ATOM 0 H VAL A 74 -12.819 7.591 2.054 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.209 7.127 0.426 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.901 5.269 -0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.145 6.601 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.682 7.491 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.354 7.876 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.545 4.941 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.730 6.146 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.646 4.621 1.455 1.00 0.00 H new ATOM 1212 N ARG A 75 -14.552 5.679 3.197 1.00 0.00 N ATOM 1213 CA ARG A 75 -15.009 4.712 4.187 1.00 0.00 C ATOM 1214 C ARG A 75 -16.522 4.528 4.110 1.00 0.00 C ATOM 1215 O ARG A 75 -17.028 3.433 3.865 1.00 0.00 O ATOM 1216 CB ARG A 75 -14.610 5.162 5.593 1.00 0.00 C ATOM 1217 CG ARG A 75 -13.293 4.572 6.071 1.00 0.00 C ATOM 1218 CD ARG A 75 -13.006 4.946 7.516 1.00 0.00 C ATOM 1219 NE ARG A 75 -13.951 4.324 8.440 1.00 0.00 N ATOM 1220 CZ ARG A 75 -13.715 4.168 9.738 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -12.572 4.587 10.262 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -14.624 3.592 10.514 1.00 0.00 N ATOM 0 H ARG A 75 -13.918 6.390 3.563 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.533 3.756 3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.539 6.250 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.398 4.883 6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.323 3.487 5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.482 4.926 5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.992 4.641 7.775 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.051 6.029 7.626 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.841 3.991 8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.871 5.030 9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.393 4.466 11.259 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.505 3.269 10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.442 3.473 11.511 1.00 0.00 H new ATOM 1236 N PRO A 76 -17.263 5.626 4.325 1.00 0.00 N ATOM 1237 CA PRO A 76 -18.728 5.612 4.286 1.00 0.00 C ATOM 1238 C PRO A 76 -19.268 5.404 2.875 1.00 0.00 C ATOM 1239 O PRO A 76 -20.479 5.391 2.659 1.00 0.00 O ATOM 1240 CB PRO A 76 -19.111 7.000 4.806 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.931 7.857 4.499 1.00 0.00 C ATOM 1242 CD PRO A 76 -16.727 6.965 4.623 1.00 0.00 C ATOM 0 HA PRO A 76 -19.143 4.793 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -20.010 7.373 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -19.318 6.979 5.876 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -18.004 8.276 3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.868 8.696 5.192 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.942 7.249 3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -16.294 7.011 5.622 1.00 0.00 H new ATOM 1250 N GLY A 77 -18.361 5.242 1.917 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.766 5.037 0.538 1.00 0.00 C ATOM 1252 C GLY A 77 -18.721 3.577 0.132 1.00 0.00 C ATOM 1253 O GLY A 77 -19.582 3.105 -0.611 1.00 0.00 O ATOM 0 H GLY A 77 -17.353 5.249 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.777 5.419 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -18.115 5.614 -0.118 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.713 2.861 0.617 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.557 1.446 0.298 1.00 0.00 C ATOM 1259 C LEU A 78 -17.911 0.575 1.500 1.00 0.00 C ATOM 1260 O LEU A 78 -17.104 0.400 2.413 1.00 0.00 O ATOM 1261 CB LEU A 78 -16.123 1.159 -0.149 1.00 0.00 C ATOM 1262 CG LEU A 78 -15.652 1.893 -1.405 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -15.316 3.341 -1.082 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -14.450 1.188 -2.016 1.00 0.00 C ATOM 0 H LEU A 78 -16.992 3.237 1.232 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.240 1.205 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.450 1.414 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.025 0.087 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.462 1.883 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.983 3.848 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.202 3.842 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.522 3.373 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.129 1.724 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.635 1.166 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.724 0.168 -2.285 1.00 0.00 H new ATOM 1276 N LYS A 79 -19.122 0.028 1.492 1.00 0.00 N ATOM 1277 CA LYS A 79 -19.582 -0.828 2.578 1.00 0.00 C ATOM 1278 C LYS A 79 -19.416 -2.301 2.218 1.00 0.00 C ATOM 1279 O LYS A 79 -18.518 -2.974 2.721 1.00 0.00 O ATOM 1280 CB LYS A 79 -21.049 -0.533 2.900 1.00 0.00 C ATOM 1281 CG LYS A 79 -21.282 0.863 3.451 1.00 0.00 C ATOM 1282 CD LYS A 79 -21.505 1.872 2.337 1.00 0.00 C ATOM 1283 CE LYS A 79 -22.397 3.017 2.791 1.00 0.00 C ATOM 1284 NZ LYS A 79 -23.783 2.557 3.086 1.00 0.00 N ATOM 0 H LYS A 79 -19.803 0.163 0.744 1.00 0.00 H new ATOM 0 HA LYS A 79 -18.973 -0.616 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.644 -0.661 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -21.408 -1.265 3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -22.148 0.854 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.424 1.166 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -20.545 2.267 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -21.958 1.374 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.970 3.479 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -22.426 3.784 2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -24.446 3.349 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -24.038 1.785 2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.834 2.216 4.067 1.00 0.00 H new ATOM 1298 N ASN A 80 -20.288 -2.794 1.344 1.00 0.00 N ATOM 1299 CA ASN A 80 -20.236 -4.187 0.916 1.00 0.00 C ATOM 1300 C ASN A 80 -18.868 -4.526 0.330 1.00 0.00 C ATOM 1301 O ASN A 80 -18.299 -5.577 0.626 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.329 -4.465 -0.118 1.00 0.00 C ATOM 1303 CG ASN A 80 -22.722 -4.362 0.471 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -22.905 -3.844 1.573 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -23.713 -4.856 -0.262 1.00 0.00 N ATOM 0 H ASN A 80 -21.039 -2.250 0.919 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.403 -4.816 1.790 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.233 -3.759 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -21.186 -5.462 -0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -24.672 -4.815 0.083 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -23.515 -5.276 -1.170 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.348 -3.630 -0.500 1.00 0.00 N ATOM 1313 CA CYS A 81 -17.047 -3.833 -1.128 1.00 0.00 C ATOM 1314 C CYS A 81 -15.991 -2.933 -0.494 1.00 0.00 C ATOM 1315 O CYS A 81 -15.262 -2.229 -1.191 1.00 0.00 O ATOM 1316 CB CYS A 81 -17.133 -3.559 -2.630 1.00 0.00 C ATOM 1317 SG CYS A 81 -18.424 -4.500 -3.478 1.00 0.00 S ATOM 0 H CYS A 81 -18.807 -2.755 -0.754 1.00 0.00 H new ATOM 0 HA CYS A 81 -16.755 -4.871 -0.972 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.312 -2.495 -2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.170 -3.790 -3.087 1.00 0.00 H new ATOM 0 HG CYS A 81 -18.420 -4.199 -4.743 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.916 -2.960 0.833 1.00 0.00 N ATOM 1324 CA GLY A 82 -14.948 -2.141 1.539 1.00 0.00 C ATOM 1325 C GLY A 82 -14.726 -2.604 2.965 1.00 0.00 C ATOM 1326 O GLY A 82 -15.653 -3.080 3.621 1.00 0.00 O ATOM 0 H GLY A 82 -16.509 -3.535 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.000 -2.161 1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.289 -1.106 1.545 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.495 -2.468 3.445 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.154 -2.876 4.802 1.00 0.00 C ATOM 1332 C ASP A 83 -12.087 -1.960 5.394 1.00 0.00 C ATOM 1333 O ASP A 83 -10.963 -1.898 4.897 1.00 0.00 O ATOM 1334 CB ASP A 83 -12.663 -4.325 4.814 1.00 0.00 C ATOM 1335 CG ASP A 83 -13.751 -5.308 4.426 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -14.887 -5.163 4.924 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -13.466 -6.220 3.623 1.00 0.00 O ATOM 0 H ASP A 83 -12.716 -2.078 2.914 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.053 -2.800 5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.823 -4.427 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.292 -4.572 5.809 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.448 -1.249 6.458 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.523 -0.336 7.117 1.00 0.00 C ATOM 1344 C VAL A 84 -10.102 -0.888 7.101 1.00 0.00 C ATOM 1345 O VAL A 84 -9.136 -0.140 6.953 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.941 -0.069 8.575 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -12.054 -1.375 9.347 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -10.955 0.874 9.248 1.00 0.00 C ATOM 0 H VAL A 84 -13.375 -1.288 6.882 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.553 0.601 6.561 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.921 0.409 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.350 -1.166 10.375 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.803 -2.012 8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.090 -1.884 9.344 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -11.266 1.051 10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.961 0.427 9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.930 1.821 8.708 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.981 -2.203 7.253 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.677 -2.855 7.256 1.00 0.00 C ATOM 1360 C ASN A 85 -8.044 -2.812 5.869 1.00 0.00 C ATOM 1361 O ASN A 85 -7.013 -2.170 5.665 1.00 0.00 O ATOM 1362 CB ASN A 85 -8.811 -4.306 7.723 1.00 0.00 C ATOM 1363 CG ASN A 85 -7.566 -5.124 7.434 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -6.555 -4.594 6.974 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -7.636 -6.422 7.704 1.00 0.00 N ATOM 0 H ASN A 85 -10.770 -2.838 7.376 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.030 -2.315 7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.013 -4.323 8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.667 -4.766 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.830 -7.023 7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.495 -6.818 8.085 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.668 -3.499 4.918 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.166 -3.539 3.549 1.00 0.00 C ATOM 1374 C CYS A 86 -7.965 -2.130 3.002 1.00 0.00 C ATOM 1375 O CYS A 86 -6.890 -1.794 2.504 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.132 -4.314 2.652 1.00 0.00 C ATOM 1377 SG CYS A 86 -9.190 -6.089 2.989 1.00 0.00 S ATOM 0 H CYS A 86 -9.522 -4.036 5.070 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.202 -4.047 3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -10.133 -3.900 2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -8.846 -4.162 1.611 1.00 0.00 H new ATOM 0 HG CYS A 86 -10.036 -6.657 2.182 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.006 -1.309 3.097 1.00 0.00 N ATOM 1384 CA ILE A 87 -8.943 0.063 2.611 1.00 0.00 C ATOM 1385 C ILE A 87 -7.567 0.672 2.859 1.00 0.00 C ATOM 1386 O ILE A 87 -6.841 0.995 1.920 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.011 0.947 3.281 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.400 0.611 2.733 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -9.693 2.419 3.065 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.531 1.150 3.581 1.00 0.00 C ATOM 0 H ILE A 87 -9.903 -1.571 3.506 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.134 0.026 1.538 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.005 0.748 4.353 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.490 1.012 1.724 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.499 -0.472 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.457 3.031 3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.720 2.648 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.674 2.634 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.485 0.874 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.466 0.729 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.457 2.236 3.638 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.214 0.825 4.132 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.925 1.392 4.481 1.00 0.00 C ATOM 1404 C GLY A 88 -4.810 0.896 3.582 1.00 0.00 C ATOM 1405 O GLY A 88 -4.098 1.692 2.969 1.00 0.00 O ATOM 0 H GLY A 88 -7.798 0.566 4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.981 2.479 4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.691 1.143 5.516 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.657 -0.422 3.504 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.618 -1.022 2.676 1.00 0.00 C ATOM 1411 C ARG A 89 -3.632 -0.427 1.271 1.00 0.00 C ATOM 1412 O ARG A 89 -2.621 0.092 0.796 1.00 0.00 O ATOM 1413 CB ARG A 89 -3.809 -2.538 2.601 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.283 -3.279 3.819 1.00 0.00 C ATOM 1415 CD ARG A 89 -2.849 -4.693 3.466 1.00 0.00 C ATOM 1416 NE ARG A 89 -1.568 -4.714 2.765 1.00 0.00 N ATOM 1417 CZ ARG A 89 -0.777 -5.780 2.710 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -1.134 -6.906 3.312 1.00 0.00 N ATOM 1419 NH2 ARG A 89 0.374 -5.720 2.052 1.00 0.00 N ATOM 0 H ARG A 89 -5.239 -1.094 4.004 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.653 -0.806 3.134 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.870 -2.757 2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.305 -2.916 1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.440 -2.733 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.056 -3.315 4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.773 -5.287 4.377 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.611 -5.161 2.843 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.264 -3.863 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.018 -6.955 3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.525 -7.723 3.268 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.652 -4.855 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.981 -6.539 2.010 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.782 -0.506 0.611 1.00 0.00 N ATOM 1434 CA ILE A 90 -4.927 0.025 -0.738 1.00 0.00 C ATOM 1435 C ILE A 90 -4.619 1.518 -0.777 1.00 0.00 C ATOM 1436 O ILE A 90 -3.670 1.950 -1.433 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.347 -0.209 -1.287 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.691 -1.700 -1.252 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.464 0.334 -2.703 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.177 -1.978 -1.316 1.00 0.00 C ATOM 0 H ILE A 90 -5.628 -0.933 0.989 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.212 -0.508 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.057 0.324 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.200 -2.198 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.287 -2.137 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.473 0.161 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.256 1.404 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.746 -0.173 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.347 -3.054 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.672 -1.509 -0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.584 -1.571 -2.242 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.426 2.302 -0.070 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.238 3.748 -0.021 1.00 0.00 C ATOM 1454 C HIS A 91 -3.769 4.098 0.201 1.00 0.00 C ATOM 1455 O HIS A 91 -3.136 4.731 -0.644 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.093 4.357 1.090 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.347 5.823 0.915 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -7.355 6.479 0.295 1.00 0.00 N flip ATOM 1459 CD2 HIS A 91 -5.504 6.797 1.408 1.00 0.00 C flip ATOM 1460 CE1 HIS A 91 -7.107 7.823 0.425 1.00 0.00 C flip ATOM 1461 NE2 HIS A 91 -5.985 7.988 1.101 1.00 0.00 N flip ATOM 0 H HIS A 91 -6.216 1.961 0.477 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.551 4.163 -0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.048 3.833 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.599 4.194 2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -4.593 6.614 1.959 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.729 8.616 0.037 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -5.562 8.883 1.345 1.00 0.00 H new ATOM 1469 N THR A 92 -3.233 3.681 1.344 1.00 0.00 N ATOM 1470 CA THR A 92 -1.840 3.952 1.677 1.00 0.00 C ATOM 1471 C THR A 92 -0.928 3.695 0.483 1.00 0.00 C ATOM 1472 O THR A 92 -0.354 4.625 -0.084 1.00 0.00 O ATOM 1473 CB THR A 92 -1.369 3.090 2.864 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.224 3.301 3.993 1.00 0.00 O ATOM 1475 CG2 THR A 92 0.067 3.425 3.239 1.00 0.00 C ATOM 0 H THR A 92 -3.742 3.155 2.054 1.00 0.00 H new ATOM 0 HA THR A 92 -1.781 5.004 1.955 1.00 0.00 H new ATOM 0 HB THR A 92 -1.415 2.043 2.565 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.052 2.791 3.876 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.378 2.804 4.079 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.719 3.235 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.134 4.476 3.520 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.800 2.428 0.105 1.00 0.00 N ATOM 1484 CA TYR A 93 0.044 2.048 -1.021 1.00 0.00 C ATOM 1485 C TYR A 93 -0.056 3.074 -2.147 1.00 0.00 C ATOM 1486 O TYR A 93 0.914 3.767 -2.458 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.354 0.665 -1.540 1.00 0.00 C ATOM 1488 CG TYR A 93 0.190 0.355 -2.917 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.559 0.297 -3.147 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.665 0.122 -3.987 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.061 0.015 -4.403 1.00 0.00 C ATOM 1492 CE2 TYR A 93 -0.172 -0.162 -5.246 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.191 -0.214 -5.449 1.00 0.00 C ATOM 1494 OH TYR A 93 1.686 -0.496 -6.702 1.00 0.00 O ATOM 0 H TYR A 93 -1.270 1.647 0.562 1.00 0.00 H new ATOM 0 HA TYR A 93 1.077 2.015 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.000 -0.092 -0.840 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.441 0.594 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.242 0.475 -2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.733 0.164 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.128 -0.026 -4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.850 -0.342 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 93 2.324 -1.238 -6.642 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.234 3.164 -2.753 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.463 4.106 -3.844 1.00 0.00 C ATOM 1506 C LEU A 94 -0.870 5.472 -3.517 1.00 0.00 C ATOM 1507 O LEU A 94 -0.440 6.202 -4.410 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.961 4.240 -4.122 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.666 2.980 -4.625 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.120 2.967 -4.178 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.571 2.884 -6.140 1.00 0.00 C ATOM 0 H LEU A 94 -2.046 2.597 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.968 3.720 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.453 4.566 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.104 5.031 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.167 2.112 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.606 2.063 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.166 2.987 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.632 3.842 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.078 1.981 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.044 3.757 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.523 2.845 -6.437 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.849 5.811 -2.231 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.308 7.090 -1.788 1.00 0.00 C ATOM 1525 C GLU A 95 1.218 7.065 -1.789 1.00 0.00 C ATOM 1526 O GLU A 95 1.867 8.072 -2.076 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.822 7.428 -0.387 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.912 8.920 -0.115 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.994 9.266 0.890 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -3.156 8.865 0.672 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -1.677 9.938 1.894 1.00 0.00 O ATOM 0 H GLU A 95 -1.200 5.218 -1.479 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.642 7.858 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.808 6.983 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.164 6.972 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.049 9.277 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.109 9.445 -1.050 1.00 0.00 H new ATOM 1538 N LEU A 96 1.785 5.907 -1.467 1.00 0.00 N ATOM 1539 CA LEU A 96 3.235 5.749 -1.431 1.00 0.00 C ATOM 1540 C LEU A 96 3.819 5.763 -2.839 1.00 0.00 C ATOM 1541 O LEU A 96 4.952 6.200 -3.048 1.00 0.00 O ATOM 1542 CB LEU A 96 3.608 4.445 -0.724 1.00 0.00 C ATOM 1543 CG LEU A 96 2.966 4.216 0.645 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.318 2.835 1.176 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.405 5.294 1.626 1.00 0.00 C ATOM 0 H LEU A 96 1.263 5.064 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 96 3.654 6.588 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.337 3.613 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.691 4.417 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 96 1.883 4.274 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.852 2.690 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.954 2.075 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.400 2.748 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.939 5.116 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.489 5.267 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.102 6.272 1.252 1.00 0.00 H new ATOM 1557 N ILE A 97 3.040 5.284 -3.803 1.00 0.00 N ATOM 1558 CA ILE A 97 3.480 5.244 -5.192 1.00 0.00 C ATOM 1559 C ILE A 97 3.248 6.585 -5.880 1.00 0.00 C ATOM 1560 O ILE A 97 3.778 6.840 -6.961 1.00 0.00 O ATOM 1561 CB ILE A 97 2.751 4.141 -5.982 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.245 4.205 -5.719 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.301 2.772 -5.611 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.432 3.324 -6.641 1.00 0.00 C ATOM 0 H ILE A 97 2.101 4.918 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 97 4.548 5.024 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 97 2.922 4.304 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.052 3.913 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.909 5.236 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.776 2.003 -6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.365 2.732 -5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.157 2.599 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.626 3.420 -6.397 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.595 3.630 -7.674 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.740 2.286 -6.517 1.00 0.00 H new ATOM 1576 N GLY A 98 2.452 7.440 -5.245 1.00 0.00 N ATOM 1577 CA GLY A 98 2.165 8.746 -5.810 1.00 0.00 C ATOM 1578 C GLY A 98 0.822 8.792 -6.511 1.00 0.00 C ATOM 1579 O GLY A 98 0.203 9.851 -6.612 1.00 0.00 O ATOM 0 H GLY A 98 2.001 7.252 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.183 9.493 -5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.950 9.013 -6.518 1.00 0.00 H new ATOM 1583 N ALA A 99 0.370 7.640 -6.997 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.909 7.554 -7.692 1.00 0.00 C ATOM 1585 C ALA A 99 -1.918 8.536 -7.108 1.00 0.00 C ATOM 1586 O ALA A 99 -2.663 9.185 -7.843 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.451 6.134 -7.623 1.00 0.00 C ATOM 0 H ALA A 99 0.870 6.754 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.746 7.820 -8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.406 6.083 -8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.743 5.451 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.592 5.849 -6.581 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.938 8.640 -5.784 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.856 9.545 -5.103 1.00 0.00 C ATOM 1595 C ILE A 100 -2.130 10.376 -4.050 1.00 0.00 C ATOM 1596 O ILE A 100 -1.237 9.882 -3.363 1.00 0.00 O ATOM 1597 CB ILE A 100 -4.007 8.775 -4.428 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.452 7.712 -3.478 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.905 8.138 -5.478 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.428 7.295 -2.401 1.00 0.00 C ATOM 0 H ILE A 100 -1.329 8.109 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.268 10.207 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.603 9.479 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.165 6.834 -4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.546 8.094 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.714 7.597 -4.986 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.324 8.915 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.321 7.445 -6.084 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.967 6.539 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.697 8.162 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.325 6.882 -2.863 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.521 11.640 -3.930 1.00 0.00 N ATOM 1613 CA ASN A 101 -1.908 12.540 -2.960 1.00 0.00 C ATOM 1614 C ASN A 101 -0.386 12.470 -3.039 1.00 0.00 C ATOM 1615 O ASN A 101 0.288 12.233 -2.036 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.373 12.192 -1.545 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.884 12.148 -1.427 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.594 12.875 -2.123 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.384 11.291 -0.544 1.00 0.00 N ATOM 0 H ASN A 101 -3.259 12.064 -4.492 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.220 13.557 -3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.961 11.225 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.978 12.928 -0.845 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.394 11.216 -0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.758 10.708 0.012 1.00 0.00 H new ATOM 1626 N PHE A 102 0.149 12.679 -4.237 1.00 0.00 N ATOM 1627 CA PHE A 102 1.592 12.639 -4.448 1.00 0.00 C ATOM 1628 C PHE A 102 2.279 13.797 -3.729 1.00 0.00 C ATOM 1629 O PHE A 102 1.828 14.939 -3.797 1.00 0.00 O ATOM 1630 CB PHE A 102 1.912 12.691 -5.943 1.00 0.00 C ATOM 1631 CG PHE A 102 3.357 12.975 -6.237 1.00 0.00 C ATOM 1632 CD1 PHE A 102 3.861 14.261 -6.121 1.00 0.00 C ATOM 1633 CD2 PHE A 102 4.212 11.957 -6.629 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.190 14.525 -6.392 1.00 0.00 C ATOM 1635 CE2 PHE A 102 5.542 12.216 -6.901 1.00 0.00 C ATOM 1636 CZ PHE A 102 6.032 13.501 -6.781 1.00 0.00 C ATOM 0 H PHE A 102 -0.395 12.878 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 102 1.968 11.703 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.637 11.740 -6.399 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.296 13.459 -6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.208 15.065 -5.816 1.00 0.00 H new ATOM 0 HD2 PHE A 102 3.834 10.950 -6.723 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.570 15.532 -6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.197 11.414 -7.207 1.00 0.00 H new ATOM 0 HZ PHE A 102 7.072 13.705 -6.991 1.00 0.00 H new ATOM 1646 N GLY A 103 3.373 13.491 -3.039 1.00 0.00 N ATOM 1647 CA GLY A 103 4.105 14.515 -2.317 1.00 0.00 C ATOM 1648 C GLY A 103 3.194 15.582 -1.742 1.00 0.00 C ATOM 1649 O GLY A 103 2.896 16.576 -2.405 1.00 0.00 O ATOM 0 H GLY A 103 3.766 12.552 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.671 14.051 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.828 14.981 -2.987 1.00 0.00 H new ATOM 1653 N CYS A 104 2.750 15.376 -0.507 1.00 0.00 N ATOM 1654 CA CYS A 104 1.865 16.327 0.156 1.00 0.00 C ATOM 1655 C CYS A 104 2.091 16.320 1.664 1.00 0.00 C ATOM 1656 O CYS A 104 2.437 15.291 2.244 1.00 0.00 O ATOM 1657 CB CYS A 104 0.404 15.998 -0.155 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.695 17.434 -0.141 1.00 0.00 S ATOM 0 H CYS A 104 2.988 14.559 0.055 1.00 0.00 H new ATOM 0 HA CYS A 104 2.094 17.323 -0.222 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.350 15.522 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 104 0.044 15.271 0.573 1.00 0.00 H new ATOM 0 HG CYS A 104 -1.908 17.055 -0.417 1.00 0.00 H new ATOM 1664 N GLU A 105 1.893 17.474 2.292 1.00 0.00 N ATOM 1665 CA GLU A 105 2.078 17.601 3.733 1.00 0.00 C ATOM 1666 C GLU A 105 1.124 16.679 4.487 1.00 0.00 C ATOM 1667 O GLU A 105 1.267 16.473 5.692 1.00 0.00 O ATOM 1668 CB GLU A 105 1.859 19.050 4.173 1.00 0.00 C ATOM 1669 CG GLU A 105 0.427 19.527 4.002 1.00 0.00 C ATOM 1670 CD GLU A 105 0.315 21.039 3.982 1.00 0.00 C ATOM 1671 OE1 GLU A 105 0.785 21.655 3.003 1.00 0.00 O ATOM 1672 OE2 GLU A 105 -0.243 21.607 4.945 1.00 0.00 O ATOM 0 H GLU A 105 1.605 18.334 1.826 1.00 0.00 H new ATOM 0 HA GLU A 105 3.101 17.309 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.144 19.150 5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.520 19.699 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 105 0.022 19.124 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.183 19.132 4.814 1.00 0.00 H new ATOM 1679 N GLN A 106 0.151 16.128 3.768 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.827 15.229 4.369 1.00 0.00 C ATOM 1681 C GLN A 106 -0.455 13.772 4.117 1.00 0.00 C ATOM 1682 O GLN A 106 -0.905 12.875 4.828 1.00 0.00 O ATOM 1683 CB GLN A 106 -2.223 15.515 3.813 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.975 16.591 4.579 1.00 0.00 C ATOM 1685 CD GLN A 106 -4.039 17.271 3.739 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -5.222 16.943 3.832 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -3.622 18.223 2.913 1.00 0.00 N ATOM 0 H GLN A 106 0.019 16.288 2.769 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.829 15.403 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.134 15.818 2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.807 14.595 3.829 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.441 16.147 5.459 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.267 17.339 4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.631 18.462 2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.292 18.715 2.322 1.00 0.00 H new ATOM 1696 N ALA A 107 0.369 13.545 3.100 1.00 0.00 N ATOM 1697 CA ALA A 107 0.803 12.196 2.755 1.00 0.00 C ATOM 1698 C ALA A 107 1.208 11.415 4.001 1.00 0.00 C ATOM 1699 O ALA A 107 1.419 11.992 5.067 1.00 0.00 O ATOM 1700 CB ALA A 107 1.958 12.250 1.766 1.00 0.00 C ATOM 0 H ALA A 107 0.750 14.277 2.500 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.036 11.679 2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.272 11.236 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.637 12.763 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.794 12.789 2.212 1.00 0.00 H new ATOM 1706 N VAL A 108 1.314 10.097 3.858 1.00 0.00 N ATOM 1707 CA VAL A 108 1.694 9.236 4.972 1.00 0.00 C ATOM 1708 C VAL A 108 3.208 9.075 5.050 1.00 0.00 C ATOM 1709 O VAL A 108 3.721 8.333 5.888 1.00 0.00 O ATOM 1710 CB VAL A 108 1.046 7.844 4.851 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.520 7.142 3.588 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.351 7.006 6.083 1.00 0.00 C ATOM 0 H VAL A 108 1.142 9.603 2.982 1.00 0.00 H new ATOM 0 HA VAL A 108 1.336 9.718 5.882 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.035 7.970 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.052 6.160 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.245 7.736 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.603 7.026 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.885 6.026 5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.430 6.887 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.957 7.504 6.969 1.00 0.00 H new ATOM 1722 N TYR A 109 3.918 9.775 4.173 1.00 0.00 N ATOM 1723 CA TYR A 109 5.374 9.709 4.141 1.00 0.00 C ATOM 1724 C TYR A 109 5.988 11.070 4.450 1.00 0.00 C ATOM 1725 O TYR A 109 7.010 11.163 5.129 1.00 0.00 O ATOM 1726 CB TYR A 109 5.853 9.219 2.774 1.00 0.00 C ATOM 1727 CG TYR A 109 4.963 9.650 1.630 1.00 0.00 C ATOM 1728 CD1 TYR A 109 3.810 8.941 1.316 1.00 0.00 C ATOM 1729 CD2 TYR A 109 5.275 10.767 0.864 1.00 0.00 C ATOM 1730 CE1 TYR A 109 2.995 9.331 0.271 1.00 0.00 C ATOM 1731 CE2 TYR A 109 4.464 11.165 -0.181 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.325 10.443 -0.474 1.00 0.00 C ATOM 1733 OH TYR A 109 2.515 10.836 -1.515 1.00 0.00 O ATOM 0 H TYR A 109 3.509 10.395 3.474 1.00 0.00 H new ATOM 0 HA TYR A 109 5.697 9.003 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.863 9.590 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.912 8.131 2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.547 8.071 1.899 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.167 11.333 1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.103 8.767 0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 109 4.720 12.036 -0.765 1.00 0.00 H new ATOM 0 HH TYR A 109 1.754 11.345 -1.164 1.00 0.00 H new ATOM 1743 N ASN A 110 5.356 12.126 3.947 1.00 0.00 N ATOM 1744 CA ASN A 110 5.839 13.484 4.169 1.00 0.00 C ATOM 1745 C ASN A 110 6.043 13.752 5.657 1.00 0.00 C ATOM 1746 O ASN A 110 7.020 14.385 6.056 1.00 0.00 O ATOM 1747 CB ASN A 110 4.855 14.499 3.586 1.00 0.00 C ATOM 1748 CG ASN A 110 4.938 14.582 2.074 1.00 0.00 C ATOM 1749 OD1 ASN A 110 5.089 13.568 1.393 1.00 0.00 O ATOM 1750 ND2 ASN A 110 4.839 15.795 1.542 1.00 0.00 N ATOM 0 H ASN A 110 4.508 12.067 3.383 1.00 0.00 H new ATOM 0 HA ASN A 110 6.799 13.589 3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 110 3.841 14.226 3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.056 15.482 4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 110 4.887 15.914 0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.714 16.608 2.145 1.00 0.00 H new ATOM 1757 N ARG A 111 5.113 13.266 6.473 1.00 0.00 N ATOM 1758 CA ARG A 111 5.190 13.454 7.917 1.00 0.00 C ATOM 1759 C ARG A 111 5.957 12.311 8.574 1.00 0.00 C ATOM 1760 O ARG A 111 6.524 12.471 9.655 1.00 0.00 O ATOM 1761 CB ARG A 111 3.785 13.551 8.515 1.00 0.00 C ATOM 1762 CG ARG A 111 2.982 12.266 8.394 1.00 0.00 C ATOM 1763 CD ARG A 111 3.189 11.364 9.600 1.00 0.00 C ATOM 1764 NE ARG A 111 2.304 11.718 10.707 1.00 0.00 N ATOM 1765 CZ ARG A 111 1.973 10.878 11.681 1.00 0.00 C ATOM 1766 NH1 ARG A 111 2.450 9.642 11.686 1.00 0.00 N ATOM 1767 NH2 ARG A 111 1.162 11.275 12.654 1.00 0.00 N ATOM 0 H ARG A 111 4.298 12.739 6.159 1.00 0.00 H new ATOM 0 HA ARG A 111 5.724 14.384 8.110 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.865 13.822 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.243 14.356 8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.923 12.505 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.275 11.736 7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.013 10.328 9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.226 11.431 9.929 1.00 0.00 H new ATOM 0 HE ARG A 111 1.919 12.662 10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.074 9.333 10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.194 8.999 12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.793 12.226 12.654 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.908 10.629 13.402 1.00 0.00 H new