USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 422 CYS SG : rot -154:sc= 0.295 USER MOD Set 1.2: A 425 CYS SG : rot -120:sc= 0.38 USER MOD Set 1.3: A 438 HIS : no HE2:sc= -0.808 K(o=-1.3,f=-2.3) USER MOD Set 1.4: A 443 HIS : no HE2:sc= -1.19 K(o=-1.3,f=-2.4) USER MOD Set 2.1: A 392 CYS SG : rot -150:sc= -0.295 USER MOD Set 2.2: A 395 CYS SG : rot 141:sc= 0.606 USER MOD Set 2.3: A 408 HIS : no HE2:sc= 0.0246 K(o=-0.27,f=-3.4) USER MOD Set 2.4: A 412 HIS : no HD1:sc= -0.601 K(o=-0.27,f=-8.2!) USER MOD Set 3.1: A 364 CYS SG : rot 80:sc= -1.05 USER MOD Set 3.2: A 367 CYS SG : rot -47:sc= 0.142 USER MOD Set 3.3: A 380 HIS : no HD1:sc=-0.00614 K(o=-0.92,f=-2) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 381 LYS NZ :NH3+ -154:sc= -0.0681 (180deg=-0.394) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 MET CE :methyl -155:sc= -1.75 (180deg=-2.83!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 434 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.02) USER MOD Single : A 436 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.032) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 GLN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.417 -21.874 -19.384 1.00 0.00 N ATOM 67 CA VAL A 362 -11.305 -21.331 -18.612 1.00 0.00 C ATOM 68 C VAL A 362 -11.803 -20.402 -17.510 1.00 0.00 C ATOM 69 O VAL A 362 -12.981 -20.050 -17.466 1.00 0.00 O ATOM 70 CB VAL A 362 -10.320 -20.562 -19.512 1.00 0.00 C ATOM 71 CG1 VAL A 362 -9.677 -21.498 -20.523 1.00 0.00 C ATOM 72 CG2 VAL A 362 -11.027 -19.411 -20.213 1.00 0.00 C ATOM 0 HA VAL A 362 -10.788 -22.178 -18.162 1.00 0.00 H new ATOM 0 HB VAL A 362 -9.531 -20.147 -18.885 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -8.984 -20.936 -21.150 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -9.135 -22.284 -19.998 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -10.450 -21.946 -21.148 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -10.316 -18.878 -20.845 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -11.837 -19.802 -20.828 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -11.435 -18.727 -19.469 1.00 0.00 H new ATOM 82 N ALA A 363 -10.896 -20.008 -16.622 1.00 0.00 N ATOM 83 CA ALA A 363 -11.242 -19.118 -15.521 1.00 0.00 C ATOM 84 C ALA A 363 -10.230 -17.984 -15.394 1.00 0.00 C ATOM 85 O ALA A 363 -9.041 -18.220 -15.181 1.00 0.00 O ATOM 86 CB ALA A 363 -11.329 -19.898 -14.218 1.00 0.00 C ATOM 0 H ALA A 363 -9.916 -20.291 -16.644 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.217 -18.679 -15.734 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.588 -19.220 -13.405 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.095 -20.669 -14.306 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.367 -20.365 -14.008 1.00 0.00 H new ATOM 92 N CYS A 364 -10.710 -16.751 -15.527 1.00 0.00 N ATOM 93 CA CYS A 364 -9.848 -15.580 -15.428 1.00 0.00 C ATOM 94 C CYS A 364 -9.085 -15.576 -14.107 1.00 0.00 C ATOM 95 O CYS A 364 -9.664 -15.799 -13.044 1.00 0.00 O ATOM 96 CB CYS A 364 -10.676 -14.300 -15.556 1.00 0.00 C ATOM 97 SG CYS A 364 -9.737 -12.866 -16.173 1.00 0.00 S ATOM 0 H CYS A 364 -11.692 -16.538 -15.704 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.126 -15.621 -16.243 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.514 -14.488 -16.227 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.097 -14.053 -14.581 1.00 0.00 H new ATOM 0 HG CYS A 364 -9.624 -12.945 -17.466 1.00 0.00 H new ATOM 102 N GLU A 365 -7.783 -15.320 -14.183 1.00 0.00 N ATOM 103 CA GLU A 365 -6.941 -15.288 -12.992 1.00 0.00 C ATOM 104 C GLU A 365 -6.768 -13.858 -12.487 1.00 0.00 C ATOM 105 O GLU A 365 -5.749 -13.521 -11.883 1.00 0.00 O ATOM 106 CB GLU A 365 -5.572 -15.903 -13.292 1.00 0.00 C ATOM 107 CG GLU A 365 -4.776 -15.139 -14.337 1.00 0.00 C ATOM 108 CD GLU A 365 -4.192 -16.046 -15.402 1.00 0.00 C ATOM 109 OE1 GLU A 365 -3.197 -16.742 -15.109 1.00 0.00 O ATOM 110 OE2 GLU A 365 -4.729 -16.059 -16.530 1.00 0.00 O ATOM 0 H GLU A 365 -7.289 -15.132 -15.055 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.432 -15.873 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.994 -15.949 -12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.711 -16.929 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.421 -14.398 -14.810 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -3.969 -14.594 -13.847 1.00 0.00 H new ATOM 117 N ILE A 366 -7.770 -13.023 -12.739 1.00 0.00 N ATOM 118 CA ILE A 366 -7.730 -11.630 -12.310 1.00 0.00 C ATOM 119 C ILE A 366 -9.022 -11.235 -11.604 1.00 0.00 C ATOM 120 O ILE A 366 -9.001 -10.517 -10.603 1.00 0.00 O ATOM 121 CB ILE A 366 -7.497 -10.681 -13.500 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.262 -11.114 -14.293 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.344 -9.248 -13.012 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.574 -11.542 -15.710 1.00 0.00 C ATOM 0 H ILE A 366 -8.620 -13.286 -13.238 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.896 -11.538 -11.614 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.364 -10.730 -14.159 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.550 -10.289 -14.320 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.776 -11.939 -13.772 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.180 -8.589 -13.864 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.250 -8.944 -12.487 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.493 -9.183 -12.334 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.652 -11.835 -16.213 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.262 -12.387 -15.692 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.032 -10.712 -16.248 1.00 0.00 H new ATOM 136 N CYS A 367 -10.146 -11.710 -12.129 1.00 0.00 N ATOM 137 CA CYS A 367 -11.449 -11.408 -11.549 1.00 0.00 C ATOM 138 C CYS A 367 -12.144 -12.683 -11.080 1.00 0.00 C ATOM 139 O CYS A 367 -12.777 -12.706 -10.026 1.00 0.00 O ATOM 140 CB CYS A 367 -12.328 -10.681 -12.569 1.00 0.00 C ATOM 141 SG CYS A 367 -12.415 -11.499 -14.194 1.00 0.00 S ATOM 0 H CYS A 367 -10.181 -12.306 -12.956 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.294 -10.761 -10.686 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.336 -10.591 -12.165 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -11.948 -9.668 -12.704 1.00 0.00 H new ATOM 0 HG CYS A 367 -11.218 -11.829 -14.579 1.00 0.00 H new ATOM 146 N GLY A 368 -12.020 -13.744 -11.872 1.00 0.00 N ATOM 147 CA GLY A 368 -12.641 -15.008 -11.521 1.00 0.00 C ATOM 148 C GLY A 368 -13.843 -15.324 -12.389 1.00 0.00 C ATOM 149 O GLY A 368 -14.747 -16.049 -11.972 1.00 0.00 O ATOM 0 H GLY A 368 -11.501 -13.751 -12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.907 -15.809 -11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.949 -14.980 -10.476 1.00 0.00 H new ATOM 153 N LYS A 369 -13.857 -14.778 -13.600 1.00 0.00 N ATOM 154 CA LYS A 369 -14.957 -15.004 -14.530 1.00 0.00 C ATOM 155 C LYS A 369 -14.665 -16.194 -15.439 1.00 0.00 C ATOM 156 O LYS A 369 -13.563 -16.324 -15.972 1.00 0.00 O ATOM 157 CB LYS A 369 -15.203 -13.752 -15.375 1.00 0.00 C ATOM 158 CG LYS A 369 -16.286 -12.845 -14.817 1.00 0.00 C ATOM 159 CD LYS A 369 -15.936 -12.350 -13.424 1.00 0.00 C ATOM 160 CE LYS A 369 -16.799 -13.014 -12.363 1.00 0.00 C ATOM 161 NZ LYS A 369 -17.015 -12.126 -11.187 1.00 0.00 N ATOM 0 H LYS A 369 -13.118 -14.175 -13.961 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.852 -15.224 -13.948 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.273 -13.188 -15.453 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.479 -14.054 -16.385 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -16.427 -11.993 -15.482 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -17.233 -13.384 -14.785 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -14.885 -12.552 -13.218 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -16.068 -11.269 -13.377 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.762 -13.284 -12.796 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -16.325 -13.940 -12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -17.608 -12.615 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -16.098 -11.888 -10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -17.490 -11.253 -11.494 1.00 0.00 H new ATOM 175 N ILE A 370 -15.659 -17.059 -15.611 1.00 0.00 N ATOM 176 CA ILE A 370 -15.508 -18.236 -16.457 1.00 0.00 C ATOM 177 C ILE A 370 -15.891 -17.928 -17.901 1.00 0.00 C ATOM 178 O ILE A 370 -16.885 -17.250 -18.159 1.00 0.00 O ATOM 179 CB ILE A 370 -16.368 -19.409 -15.949 1.00 0.00 C ATOM 180 CG1 ILE A 370 -16.002 -19.748 -14.502 1.00 0.00 C ATOM 181 CG2 ILE A 370 -16.190 -20.624 -16.846 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.545 -20.111 -14.317 1.00 0.00 C ATOM 0 H ILE A 370 -16.577 -16.967 -15.176 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.457 -18.522 -16.415 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.416 -19.112 -15.979 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.239 -18.895 -13.866 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.621 -20.579 -14.164 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.804 -21.444 -16.474 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.496 -20.374 -17.862 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -15.143 -20.926 -16.846 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.357 -20.339 -13.268 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.307 -20.983 -14.926 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.919 -19.273 -14.624 1.00 0.00 H new ATOM 194 N PHE A 371 -15.096 -18.433 -18.838 1.00 0.00 N ATOM 195 CA PHE A 371 -15.352 -18.213 -20.257 1.00 0.00 C ATOM 196 C PHE A 371 -15.518 -19.540 -20.992 1.00 0.00 C ATOM 197 O PHE A 371 -14.674 -20.430 -20.887 1.00 0.00 O ATOM 198 CB PHE A 371 -14.210 -17.410 -20.884 1.00 0.00 C ATOM 199 CG PHE A 371 -14.085 -16.017 -20.334 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.505 -15.797 -19.096 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.547 -14.929 -21.057 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.390 -14.517 -18.588 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.434 -13.647 -20.554 1.00 0.00 C ATOM 204 CZ PHE A 371 -13.853 -13.440 -19.318 1.00 0.00 C ATOM 0 H PHE A 371 -14.269 -18.997 -18.641 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.279 -17.648 -20.350 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.272 -17.941 -20.723 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.364 -17.354 -21.962 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.139 -16.635 -18.521 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.001 -15.085 -22.025 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -12.938 -14.359 -17.620 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.800 -12.808 -21.127 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.761 -12.439 -18.924 1.00 0.00 H new ATOM 214 N ARG A 372 -16.613 -19.665 -21.735 1.00 0.00 N ATOM 215 CA ARG A 372 -16.892 -20.883 -22.486 1.00 0.00 C ATOM 216 C ARG A 372 -15.768 -21.182 -23.474 1.00 0.00 C ATOM 217 O ARG A 372 -15.535 -22.336 -23.834 1.00 0.00 O ATOM 218 CB ARG A 372 -18.221 -20.755 -23.232 1.00 0.00 C ATOM 219 CG ARG A 372 -18.314 -19.510 -24.100 1.00 0.00 C ATOM 220 CD ARG A 372 -19.186 -18.445 -23.453 1.00 0.00 C ATOM 221 NE ARG A 372 -18.393 -17.451 -22.734 1.00 0.00 N ATOM 222 CZ ARG A 372 -18.902 -16.614 -21.837 1.00 0.00 C ATOM 223 NH1 ARG A 372 -20.196 -16.651 -21.551 1.00 0.00 N ATOM 224 NH2 ARG A 372 -18.116 -15.739 -21.224 1.00 0.00 N ATOM 0 H ARG A 372 -17.321 -18.938 -21.833 1.00 0.00 H new ATOM 0 HA ARG A 372 -16.959 -21.709 -21.778 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.363 -21.636 -23.858 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -19.035 -20.744 -22.507 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -17.315 -19.109 -24.272 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -18.723 -19.774 -25.075 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -19.781 -17.949 -24.220 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -19.885 -18.918 -22.764 1.00 0.00 H new ATOM 0 HE ARG A 372 -17.394 -17.397 -22.932 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -20.803 -17.323 -22.020 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -20.585 -16.007 -20.862 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -17.120 -15.708 -21.441 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -18.508 -15.097 -20.535 1.00 0.00 H new ATOM 238 N ASP A 373 -15.076 -20.134 -23.909 1.00 0.00 N ATOM 239 CA ASP A 373 -13.977 -20.284 -24.856 1.00 0.00 C ATOM 240 C ASP A 373 -12.810 -19.376 -24.481 1.00 0.00 C ATOM 241 O ASP A 373 -12.920 -18.547 -23.577 1.00 0.00 O ATOM 242 CB ASP A 373 -14.451 -19.967 -26.275 1.00 0.00 C ATOM 243 CG ASP A 373 -14.296 -21.147 -27.214 1.00 0.00 C ATOM 244 OD1 ASP A 373 -13.164 -21.390 -27.682 1.00 0.00 O ATOM 245 OD2 ASP A 373 -15.308 -21.829 -27.481 1.00 0.00 O ATOM 0 H ASP A 373 -15.257 -19.172 -23.621 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.636 -21.319 -24.819 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -15.498 -19.664 -26.246 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.885 -19.120 -26.663 1.00 0.00 H new ATOM 250 N VAL A 374 -11.692 -19.538 -25.182 1.00 0.00 N ATOM 251 CA VAL A 374 -10.504 -18.732 -24.923 1.00 0.00 C ATOM 252 C VAL A 374 -10.532 -17.438 -25.728 1.00 0.00 C ATOM 253 O VAL A 374 -10.067 -16.397 -25.265 1.00 0.00 O ATOM 254 CB VAL A 374 -9.217 -19.507 -25.261 1.00 0.00 C ATOM 255 CG1 VAL A 374 -7.990 -18.653 -24.978 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.160 -20.812 -24.481 1.00 0.00 C ATOM 0 H VAL A 374 -11.584 -20.220 -25.933 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.507 -18.494 -23.859 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.226 -19.747 -26.324 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.090 -19.217 -25.223 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -8.028 -17.749 -25.585 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -7.972 -18.381 -23.923 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.244 -21.346 -24.732 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.174 -20.598 -23.412 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.022 -21.428 -24.739 1.00 0.00 H new ATOM 266 N TYR A 375 -11.081 -17.511 -26.935 1.00 0.00 N ATOM 267 CA TYR A 375 -11.167 -16.345 -27.807 1.00 0.00 C ATOM 268 C TYR A 375 -11.899 -15.199 -27.113 1.00 0.00 C ATOM 269 O TYR A 375 -11.622 -14.027 -27.366 1.00 0.00 O ATOM 270 CB TYR A 375 -11.883 -16.707 -29.109 1.00 0.00 C ATOM 271 CG TYR A 375 -10.954 -17.213 -30.190 1.00 0.00 C ATOM 272 CD1 TYR A 375 -10.038 -18.224 -29.928 1.00 0.00 C ATOM 273 CD2 TYR A 375 -10.992 -16.679 -31.472 1.00 0.00 C ATOM 274 CE1 TYR A 375 -9.186 -18.688 -30.912 1.00 0.00 C ATOM 275 CE2 TYR A 375 -10.146 -17.138 -32.462 1.00 0.00 C ATOM 276 CZ TYR A 375 -9.245 -18.143 -32.178 1.00 0.00 C ATOM 277 OH TYR A 375 -8.399 -18.602 -33.161 1.00 0.00 O ATOM 0 H TYR A 375 -11.473 -18.365 -27.332 1.00 0.00 H new ATOM 0 HA TYR A 375 -10.153 -16.019 -28.037 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.634 -17.469 -28.901 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -12.413 -15.829 -29.479 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -9.991 -18.655 -28.939 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -11.695 -15.891 -31.698 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.478 -19.473 -30.691 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -10.190 -16.712 -33.454 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.570 -18.114 -33.994 1.00 0.00 H new ATOM 287 N HIS A 376 -12.835 -15.549 -26.236 1.00 0.00 N ATOM 288 CA HIS A 376 -13.606 -14.551 -25.503 1.00 0.00 C ATOM 289 C HIS A 376 -12.818 -14.024 -24.308 1.00 0.00 C ATOM 290 O HIS A 376 -13.037 -12.901 -23.853 1.00 0.00 O ATOM 291 CB HIS A 376 -14.933 -15.148 -25.031 1.00 0.00 C ATOM 292 CG HIS A 376 -16.110 -14.713 -25.849 1.00 0.00 C ATOM 293 ND1 HIS A 376 -16.698 -13.472 -25.721 1.00 0.00 N ATOM 294 CD2 HIS A 376 -16.807 -15.360 -26.812 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.708 -13.376 -26.568 1.00 0.00 C ATOM 296 NE2 HIS A 376 -17.795 -14.509 -27.242 1.00 0.00 N ATOM 0 H HIS A 376 -13.078 -16.515 -26.016 1.00 0.00 H new ATOM 0 HA HIS A 376 -13.809 -13.718 -26.176 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -14.863 -16.235 -25.059 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -15.099 -14.866 -23.991 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -16.621 -16.360 -27.175 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -18.352 -12.518 -26.689 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -18.484 -14.718 -27.964 1.00 0.00 H new ATOM 304 N LEU A 377 -11.901 -14.842 -23.804 1.00 0.00 N ATOM 305 CA LEU A 377 -11.080 -14.459 -22.661 1.00 0.00 C ATOM 306 C LEU A 377 -9.977 -13.493 -23.081 1.00 0.00 C ATOM 307 O LEU A 377 -9.494 -12.698 -22.276 1.00 0.00 O ATOM 308 CB LEU A 377 -10.466 -15.700 -22.010 1.00 0.00 C ATOM 309 CG LEU A 377 -9.508 -15.443 -20.846 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.269 -14.938 -19.630 1.00 0.00 C ATOM 311 CD2 LEU A 377 -8.733 -16.708 -20.504 1.00 0.00 C ATOM 0 H LEU A 377 -11.707 -15.775 -24.169 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.721 -13.956 -21.937 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.276 -16.337 -21.654 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -9.932 -16.261 -22.777 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.796 -14.675 -21.149 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.571 -14.761 -18.812 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -10.779 -14.008 -19.880 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.004 -15.683 -19.325 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.056 -16.507 -19.674 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.430 -17.497 -20.221 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.157 -17.028 -21.372 1.00 0.00 H new ATOM 323 N ASN A 378 -9.585 -13.567 -24.349 1.00 0.00 N ATOM 324 CA ASN A 378 -8.540 -12.698 -24.878 1.00 0.00 C ATOM 325 C ASN A 378 -8.999 -11.243 -24.896 1.00 0.00 C ATOM 326 O ASN A 378 -8.337 -10.366 -24.342 1.00 0.00 O ATOM 327 CB ASN A 378 -8.147 -13.138 -26.290 1.00 0.00 C ATOM 328 CG ASN A 378 -6.856 -12.495 -26.758 1.00 0.00 C ATOM 329 OD1 ASN A 378 -5.764 -12.982 -26.463 1.00 0.00 O ATOM 330 ND2 ASN A 378 -6.975 -11.394 -27.491 1.00 0.00 N ATOM 0 H ASN A 378 -9.975 -14.220 -25.029 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.671 -12.778 -24.225 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.039 -14.222 -26.313 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.949 -12.883 -26.983 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -6.141 -10.917 -27.834 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -7.900 -11.026 -27.711 1.00 0.00 H new ATOM 337 N ARG A 379 -10.138 -10.996 -25.535 1.00 0.00 N ATOM 338 CA ARG A 379 -10.686 -9.648 -25.626 1.00 0.00 C ATOM 339 C ARG A 379 -10.973 -9.084 -24.238 1.00 0.00 C ATOM 340 O ARG A 379 -10.978 -7.868 -24.039 1.00 0.00 O ATOM 341 CB ARG A 379 -11.967 -9.651 -26.462 1.00 0.00 C ATOM 342 CG ARG A 379 -13.146 -10.313 -25.769 1.00 0.00 C ATOM 343 CD ARG A 379 -14.150 -9.285 -25.272 1.00 0.00 C ATOM 344 NE ARG A 379 -14.736 -8.519 -26.369 1.00 0.00 N ATOM 345 CZ ARG A 379 -15.696 -7.616 -26.204 1.00 0.00 C ATOM 346 NH1 ARG A 379 -16.176 -7.367 -24.993 1.00 0.00 N ATOM 347 NH2 ARG A 379 -16.178 -6.959 -27.251 1.00 0.00 N ATOM 0 H ARG A 379 -10.699 -11.712 -25.997 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.945 -9.013 -26.112 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.232 -8.623 -26.708 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -11.775 -10.165 -27.404 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -13.637 -10.998 -26.460 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -12.788 -10.909 -24.929 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -14.942 -9.790 -24.718 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -13.658 -8.605 -24.577 1.00 0.00 H new ATOM 0 HE ARG A 379 -14.389 -8.687 -27.313 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -15.808 -7.869 -24.185 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -16.913 -6.673 -24.869 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -15.811 -7.147 -28.184 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -16.915 -6.266 -27.123 1.00 0.00 H new ATOM 361 N HIS A 380 -11.213 -9.974 -23.280 1.00 0.00 N ATOM 362 CA HIS A 380 -11.501 -9.565 -21.910 1.00 0.00 C ATOM 363 C HIS A 380 -10.236 -9.072 -21.213 1.00 0.00 C ATOM 364 O HIS A 380 -10.206 -7.970 -20.664 1.00 0.00 O ATOM 365 CB HIS A 380 -12.110 -10.727 -21.126 1.00 0.00 C ATOM 366 CG HIS A 380 -12.266 -10.446 -19.663 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.265 -9.644 -19.153 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.543 -10.867 -18.599 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.149 -9.583 -17.838 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.111 -10.316 -17.477 1.00 0.00 N ATOM 0 H HIS A 380 -11.214 -10.983 -23.427 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.218 -8.745 -21.945 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.086 -10.967 -21.548 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.482 -11.609 -21.253 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.680 -11.516 -18.627 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.793 -9.028 -17.172 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -11.785 -10.451 -16.520 1.00 0.00 H new ATOM 378 N LYS A 381 -9.194 -9.895 -21.238 1.00 0.00 N ATOM 379 CA LYS A 381 -7.926 -9.544 -20.609 1.00 0.00 C ATOM 380 C LYS A 381 -7.419 -8.199 -21.120 1.00 0.00 C ATOM 381 O LYS A 381 -6.734 -7.469 -20.403 1.00 0.00 O ATOM 382 CB LYS A 381 -6.882 -10.630 -20.878 1.00 0.00 C ATOM 383 CG LYS A 381 -7.234 -11.977 -20.270 1.00 0.00 C ATOM 384 CD LYS A 381 -6.533 -13.115 -20.992 1.00 0.00 C ATOM 385 CE LYS A 381 -6.223 -14.267 -20.048 1.00 0.00 C ATOM 386 NZ LYS A 381 -5.212 -13.888 -19.023 1.00 0.00 N ATOM 0 H LYS A 381 -9.202 -10.811 -21.687 1.00 0.00 H new ATOM 0 HA LYS A 381 -8.091 -9.466 -19.534 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.761 -10.747 -21.955 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.920 -10.303 -20.483 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -6.954 -11.986 -19.217 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.313 -12.126 -20.314 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -7.161 -13.471 -21.808 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.608 -12.749 -21.438 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -7.140 -14.587 -19.553 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -5.857 -15.118 -20.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -4.708 -14.739 -18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -4.532 -13.219 -19.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -5.689 -13.441 -18.214 1.00 0.00 H new ATOM 400 N LEU A 382 -7.761 -7.877 -22.363 1.00 0.00 N ATOM 401 CA LEU A 382 -7.342 -6.618 -22.969 1.00 0.00 C ATOM 402 C LEU A 382 -7.913 -5.428 -22.204 1.00 0.00 C ATOM 403 O LEU A 382 -7.251 -4.403 -22.047 1.00 0.00 O ATOM 404 CB LEU A 382 -7.788 -6.560 -24.431 1.00 0.00 C ATOM 405 CG LEU A 382 -6.802 -7.120 -25.457 1.00 0.00 C ATOM 406 CD1 LEU A 382 -7.538 -7.896 -26.537 1.00 0.00 C ATOM 407 CD2 LEU A 382 -5.977 -5.998 -26.071 1.00 0.00 C ATOM 0 H LEU A 382 -8.327 -8.470 -22.970 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.254 -6.566 -22.925 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.728 -7.105 -24.525 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -7.995 -5.521 -24.686 1.00 0.00 H new ATOM 0 HG LEU A 382 -6.125 -7.804 -24.946 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -6.820 -8.287 -27.258 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -8.083 -8.723 -26.083 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -8.240 -7.235 -27.046 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -5.281 -6.415 -26.799 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -6.640 -5.289 -26.567 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -5.419 -5.486 -25.287 1.00 0.00 H new ATOM 480 N LYS A 388 -1.635 2.602 -22.619 1.00 0.00 N ATOM 481 CA LYS A 388 -1.914 3.818 -23.373 1.00 0.00 C ATOM 482 C LYS A 388 -2.587 4.864 -22.489 1.00 0.00 C ATOM 483 O LYS A 388 -3.165 4.552 -21.448 1.00 0.00 O ATOM 484 CB LYS A 388 -2.805 3.504 -24.577 1.00 0.00 C ATOM 485 CG LYS A 388 -3.798 2.383 -24.322 1.00 0.00 C ATOM 486 CD LYS A 388 -4.846 2.307 -25.420 1.00 0.00 C ATOM 487 CE LYS A 388 -4.227 1.923 -26.756 1.00 0.00 C ATOM 488 NZ LYS A 388 -5.241 1.878 -27.845 1.00 0.00 N ATOM 0 HA LYS A 388 -0.965 4.222 -23.726 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -3.351 4.404 -24.859 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -2.175 3.234 -25.424 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -3.267 1.433 -24.258 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -4.287 2.541 -23.361 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -5.608 1.577 -25.147 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -5.347 3.270 -25.513 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -3.448 2.640 -27.015 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -3.746 0.949 -26.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -4.779 1.613 -28.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -5.971 1.175 -27.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -5.682 2.814 -27.948 1.00 0.00 H new ATOM 502 N PRO A 389 -2.512 6.134 -22.913 1.00 0.00 N ATOM 503 CA PRO A 389 -1.826 6.517 -24.150 1.00 0.00 C ATOM 504 C PRO A 389 -0.313 6.360 -24.047 1.00 0.00 C ATOM 505 O PRO A 389 0.328 5.824 -24.952 1.00 0.00 O ATOM 506 CB PRO A 389 -2.200 7.992 -24.321 1.00 0.00 C ATOM 507 CG PRO A 389 -2.497 8.470 -22.942 1.00 0.00 C ATOM 508 CD PRO A 389 -3.091 7.295 -22.215 1.00 0.00 C ATOM 0 HA PRO A 389 -2.120 5.888 -24.990 1.00 0.00 H new ATOM 0 HB2 PRO A 389 -1.383 8.558 -24.769 1.00 0.00 H new ATOM 0 HB3 PRO A 389 -3.064 8.108 -24.975 1.00 0.00 H new ATOM 0 HG2 PRO A 389 -1.591 8.818 -22.446 1.00 0.00 H new ATOM 0 HG3 PRO A 389 -3.192 9.309 -22.961 1.00 0.00 H new ATOM 0 HD2 PRO A 389 -2.827 7.301 -21.158 1.00 0.00 H new ATOM 0 HD3 PRO A 389 -4.180 7.296 -22.271 1.00 0.00 H new ATOM 516 N TYR A 390 0.251 6.829 -22.940 1.00 0.00 N ATOM 517 CA TYR A 390 1.690 6.742 -22.720 1.00 0.00 C ATOM 518 C TYR A 390 2.000 5.977 -21.437 1.00 0.00 C ATOM 519 O TYR A 390 1.918 6.527 -20.338 1.00 0.00 O ATOM 520 CB TYR A 390 2.303 8.142 -22.653 1.00 0.00 C ATOM 521 CG TYR A 390 1.816 9.069 -23.745 1.00 0.00 C ATOM 522 CD1 TYR A 390 2.451 9.113 -24.980 1.00 0.00 C ATOM 523 CD2 TYR A 390 0.722 9.900 -23.541 1.00 0.00 C ATOM 524 CE1 TYR A 390 2.011 9.958 -25.980 1.00 0.00 C ATOM 525 CE2 TYR A 390 0.274 10.748 -24.535 1.00 0.00 C ATOM 526 CZ TYR A 390 0.922 10.773 -25.753 1.00 0.00 C ATOM 527 OH TYR A 390 0.479 11.617 -26.746 1.00 0.00 O ATOM 0 H TYR A 390 -0.266 7.273 -22.181 1.00 0.00 H new ATOM 0 HA TYR A 390 2.128 6.201 -23.559 1.00 0.00 H new ATOM 0 HB2 TYR A 390 2.073 8.584 -21.683 1.00 0.00 H new ATOM 0 HB3 TYR A 390 3.388 8.058 -22.716 1.00 0.00 H new ATOM 0 HD1 TYR A 390 3.304 8.475 -25.161 1.00 0.00 H new ATOM 0 HD2 TYR A 390 0.213 9.883 -22.589 1.00 0.00 H new ATOM 0 HE1 TYR A 390 2.517 9.980 -26.934 1.00 0.00 H new ATOM 0 HE2 TYR A 390 -0.578 11.388 -24.360 1.00 0.00 H new ATOM 0 HH TYR A 390 -0.297 12.121 -26.425 1.00 0.00 H new ATOM 537 N SER A 391 2.356 4.706 -21.585 1.00 0.00 N ATOM 538 CA SER A 391 2.676 3.863 -20.438 1.00 0.00 C ATOM 539 C SER A 391 4.152 3.477 -20.442 1.00 0.00 C ATOM 540 O SER A 391 4.800 3.465 -21.489 1.00 0.00 O ATOM 541 CB SER A 391 1.808 2.603 -20.447 1.00 0.00 C ATOM 542 OG SER A 391 1.823 1.982 -21.721 1.00 0.00 O ATOM 0 H SER A 391 2.430 4.236 -22.487 1.00 0.00 H new ATOM 0 HA SER A 391 2.470 4.432 -19.531 1.00 0.00 H new ATOM 0 HB2 SER A 391 2.170 1.903 -19.694 1.00 0.00 H new ATOM 0 HB3 SER A 391 0.784 2.861 -20.177 1.00 0.00 H new ATOM 0 HG SER A 391 1.262 1.179 -21.700 1.00 0.00 H new ATOM 548 N CYS A 392 4.677 3.162 -19.263 1.00 0.00 N ATOM 549 CA CYS A 392 6.076 2.776 -19.127 1.00 0.00 C ATOM 550 C CYS A 392 6.269 1.301 -19.466 1.00 0.00 C ATOM 551 O CYS A 392 5.570 0.425 -18.958 1.00 0.00 O ATOM 552 CB CYS A 392 6.567 3.052 -17.704 1.00 0.00 C ATOM 553 SG CYS A 392 8.373 2.918 -17.502 1.00 0.00 S ATOM 0 H CYS A 392 4.154 3.167 -18.387 1.00 0.00 H new ATOM 0 HA CYS A 392 6.661 3.371 -19.828 1.00 0.00 H new ATOM 0 HB2 CYS A 392 6.253 4.053 -17.410 1.00 0.00 H new ATOM 0 HB3 CYS A 392 6.083 2.353 -17.022 1.00 0.00 H new ATOM 0 HG CYS A 392 8.647 2.547 -16.287 1.00 0.00 H new ATOM 558 N PRO A 393 7.241 1.019 -20.347 1.00 0.00 N ATOM 559 CA PRO A 393 7.549 -0.349 -20.774 1.00 0.00 C ATOM 560 C PRO A 393 8.185 -1.174 -19.661 1.00 0.00 C ATOM 561 O PRO A 393 7.995 -2.389 -19.589 1.00 0.00 O ATOM 562 CB PRO A 393 8.541 -0.147 -21.923 1.00 0.00 C ATOM 563 CG PRO A 393 9.174 1.173 -21.648 1.00 0.00 C ATOM 564 CD PRO A 393 8.113 2.014 -20.994 1.00 0.00 C ATOM 0 HA PRO A 393 6.652 -0.899 -21.058 1.00 0.00 H new ATOM 0 HB2 PRO A 393 9.284 -0.944 -21.950 1.00 0.00 H new ATOM 0 HB3 PRO A 393 8.035 -0.150 -22.888 1.00 0.00 H new ATOM 0 HG2 PRO A 393 10.040 1.062 -20.996 1.00 0.00 H new ATOM 0 HG3 PRO A 393 9.526 1.636 -22.570 1.00 0.00 H new ATOM 0 HD2 PRO A 393 8.540 2.707 -20.269 1.00 0.00 H new ATOM 0 HD3 PRO A 393 7.568 2.612 -21.724 1.00 0.00 H new ATOM 572 N VAL A 394 8.939 -0.508 -18.793 1.00 0.00 N ATOM 573 CA VAL A 394 9.602 -1.180 -17.682 1.00 0.00 C ATOM 574 C VAL A 394 8.624 -1.454 -16.544 1.00 0.00 C ATOM 575 O VAL A 394 8.307 -2.607 -16.247 1.00 0.00 O ATOM 576 CB VAL A 394 10.779 -0.346 -17.142 1.00 0.00 C ATOM 577 CG1 VAL A 394 11.515 -1.105 -16.049 1.00 0.00 C ATOM 578 CG2 VAL A 394 11.726 0.030 -18.271 1.00 0.00 C ATOM 0 H VAL A 394 9.106 0.497 -18.838 1.00 0.00 H new ATOM 0 HA VAL A 394 9.983 -2.126 -18.067 1.00 0.00 H new ATOM 0 HB VAL A 394 10.382 0.572 -16.709 1.00 0.00 H new ATOM 0 HG11 VAL A 394 12.343 -0.500 -15.680 1.00 0.00 H new ATOM 0 HG12 VAL A 394 10.829 -1.319 -15.230 1.00 0.00 H new ATOM 0 HG13 VAL A 394 11.901 -2.041 -16.453 1.00 0.00 H new ATOM 0 HG21 VAL A 394 12.552 0.619 -17.872 1.00 0.00 H new ATOM 0 HG22 VAL A 394 12.117 -0.876 -18.735 1.00 0.00 H new ATOM 0 HG23 VAL A 394 11.189 0.617 -19.016 1.00 0.00 H new ATOM 588 N CYS A 395 8.148 -0.388 -15.910 1.00 0.00 N ATOM 589 CA CYS A 395 7.206 -0.512 -14.805 1.00 0.00 C ATOM 590 C CYS A 395 5.865 -1.055 -15.291 1.00 0.00 C ATOM 591 O CYS A 395 5.475 -2.171 -14.952 1.00 0.00 O ATOM 592 CB CYS A 395 7.003 0.844 -14.125 1.00 0.00 C ATOM 593 SG CYS A 395 8.553 1.717 -13.731 1.00 0.00 S ATOM 0 H CYS A 395 8.400 0.573 -16.143 1.00 0.00 H new ATOM 0 HA CYS A 395 7.623 -1.214 -14.083 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.397 1.477 -14.773 1.00 0.00 H new ATOM 0 HB3 CYS A 395 6.438 0.696 -13.205 1.00 0.00 H new ATOM 0 HG CYS A 395 8.407 2.987 -13.966 1.00 0.00 H new ATOM 598 N GLY A 396 5.164 -0.255 -16.090 1.00 0.00 N ATOM 599 CA GLY A 396 3.875 -0.672 -16.610 1.00 0.00 C ATOM 600 C GLY A 396 2.789 0.357 -16.363 1.00 0.00 C ATOM 601 O GLY A 396 1.696 0.264 -16.923 1.00 0.00 O ATOM 0 H GLY A 396 5.466 0.673 -16.386 1.00 0.00 H new ATOM 0 HA2 GLY A 396 3.961 -0.855 -17.681 1.00 0.00 H new ATOM 0 HA3 GLY A 396 3.588 -1.616 -16.147 1.00 0.00 H new ATOM 605 N LEU A 397 3.089 1.340 -15.521 1.00 0.00 N ATOM 606 CA LEU A 397 2.130 2.391 -15.199 1.00 0.00 C ATOM 607 C LEU A 397 1.568 3.023 -16.468 1.00 0.00 C ATOM 608 O LEU A 397 2.073 2.788 -17.566 1.00 0.00 O ATOM 609 CB LEU A 397 2.790 3.463 -14.330 1.00 0.00 C ATOM 610 CG LEU A 397 2.742 3.226 -12.820 1.00 0.00 C ATOM 611 CD1 LEU A 397 4.055 2.634 -12.331 1.00 0.00 C ATOM 612 CD2 LEU A 397 2.434 4.524 -12.087 1.00 0.00 C ATOM 0 H LEU A 397 3.989 1.431 -15.049 1.00 0.00 H new ATOM 0 HA LEU A 397 1.307 1.940 -14.645 1.00 0.00 H new ATOM 0 HB2 LEU A 397 3.834 3.554 -14.630 1.00 0.00 H new ATOM 0 HB3 LEU A 397 2.313 4.420 -14.543 1.00 0.00 H new ATOM 0 HG LEU A 397 1.945 2.514 -12.608 1.00 0.00 H new ATOM 0 HD11 LEU A 397 4.003 2.472 -11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 397 4.235 1.683 -12.833 1.00 0.00 H new ATOM 0 HD13 LEU A 397 4.870 3.322 -12.555 1.00 0.00 H new ATOM 0 HD21 LEU A 397 2.404 4.337 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 397 3.209 5.258 -12.306 1.00 0.00 H new ATOM 0 HD23 LEU A 397 1.468 4.907 -12.416 1.00 0.00 H new ATOM 624 N ARG A 398 0.523 3.829 -16.310 1.00 0.00 N ATOM 625 CA ARG A 398 -0.105 4.496 -17.443 1.00 0.00 C ATOM 626 C ARG A 398 -0.198 6.001 -17.205 1.00 0.00 C ATOM 627 O ARG A 398 -0.623 6.447 -16.139 1.00 0.00 O ATOM 628 CB ARG A 398 -1.502 3.922 -17.690 1.00 0.00 C ATOM 629 CG ARG A 398 -1.496 2.451 -18.073 1.00 0.00 C ATOM 630 CD ARG A 398 -2.134 1.591 -16.993 1.00 0.00 C ATOM 631 NE ARG A 398 -1.710 0.196 -17.083 1.00 0.00 N ATOM 632 CZ ARG A 398 -1.949 -0.706 -16.138 1.00 0.00 C ATOM 633 NH1 ARG A 398 -2.604 -0.362 -15.038 1.00 0.00 N ATOM 634 NH2 ARG A 398 -1.532 -1.956 -16.293 1.00 0.00 N ATOM 0 H ARG A 398 0.094 4.036 -15.408 1.00 0.00 H new ATOM 0 HA ARG A 398 0.514 4.322 -18.323 1.00 0.00 H new ATOM 0 HB2 ARG A 398 -2.104 4.052 -16.790 1.00 0.00 H new ATOM 0 HB3 ARG A 398 -1.986 4.493 -18.482 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -2.034 2.316 -19.012 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -0.471 2.122 -18.243 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -1.872 1.987 -16.012 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -3.219 1.646 -17.079 1.00 0.00 H new ATOM 0 HE ARG A 398 -1.203 -0.101 -17.917 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -2.926 0.598 -14.915 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -2.786 -1.057 -14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -1.028 -2.224 -17.138 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -1.716 -2.649 -15.567 1.00 0.00 H new ATOM 648 N PHE A 399 0.205 6.778 -18.205 1.00 0.00 N ATOM 649 CA PHE A 399 0.170 8.233 -18.104 1.00 0.00 C ATOM 650 C PHE A 399 -0.677 8.835 -19.222 1.00 0.00 C ATOM 651 O PHE A 399 -0.646 8.368 -20.361 1.00 0.00 O ATOM 652 CB PHE A 399 1.588 8.804 -18.159 1.00 0.00 C ATOM 653 CG PHE A 399 2.512 8.214 -17.133 1.00 0.00 C ATOM 654 CD1 PHE A 399 3.200 7.039 -17.394 1.00 0.00 C ATOM 655 CD2 PHE A 399 2.694 8.833 -15.907 1.00 0.00 C ATOM 656 CE1 PHE A 399 4.050 6.494 -16.451 1.00 0.00 C ATOM 657 CE2 PHE A 399 3.544 8.293 -14.960 1.00 0.00 C ATOM 658 CZ PHE A 399 4.223 7.122 -15.233 1.00 0.00 C ATOM 0 H PHE A 399 0.559 6.425 -19.094 1.00 0.00 H new ATOM 0 HA PHE A 399 -0.282 8.495 -17.148 1.00 0.00 H new ATOM 0 HB2 PHE A 399 2.003 8.631 -19.152 1.00 0.00 H new ATOM 0 HB3 PHE A 399 1.542 9.884 -18.017 1.00 0.00 H new ATOM 0 HD1 PHE A 399 3.070 6.544 -18.345 1.00 0.00 H new ATOM 0 HD2 PHE A 399 2.165 9.749 -15.688 1.00 0.00 H new ATOM 0 HE1 PHE A 399 4.579 5.577 -16.666 1.00 0.00 H new ATOM 0 HE2 PHE A 399 3.677 8.786 -14.008 1.00 0.00 H new ATOM 0 HZ PHE A 399 4.888 6.698 -14.495 1.00 0.00 H new ATOM 668 N LYS A 400 -1.435 9.874 -18.887 1.00 0.00 N ATOM 669 CA LYS A 400 -2.290 10.542 -19.861 1.00 0.00 C ATOM 670 C LYS A 400 -1.604 11.780 -20.429 1.00 0.00 C ATOM 671 O LYS A 400 -2.265 12.716 -20.880 1.00 0.00 O ATOM 672 CB LYS A 400 -3.622 10.934 -19.216 1.00 0.00 C ATOM 673 CG LYS A 400 -4.829 10.646 -20.091 1.00 0.00 C ATOM 674 CD LYS A 400 -5.337 11.906 -20.773 1.00 0.00 C ATOM 675 CE LYS A 400 -6.689 12.332 -20.222 1.00 0.00 C ATOM 676 NZ LYS A 400 -7.790 11.461 -20.720 1.00 0.00 N ATOM 0 H LYS A 400 -1.474 10.271 -17.948 1.00 0.00 H new ATOM 0 HA LYS A 400 -2.480 9.847 -20.679 1.00 0.00 H new ATOM 0 HB2 LYS A 400 -3.731 10.398 -18.273 1.00 0.00 H new ATOM 0 HB3 LYS A 400 -3.602 11.997 -18.978 1.00 0.00 H new ATOM 0 HG2 LYS A 400 -4.564 9.905 -20.845 1.00 0.00 H new ATOM 0 HG3 LYS A 400 -5.625 10.214 -19.484 1.00 0.00 H new ATOM 0 HD2 LYS A 400 -4.616 12.712 -20.634 1.00 0.00 H new ATOM 0 HD3 LYS A 400 -5.419 11.732 -21.846 1.00 0.00 H new ATOM 0 HE2 LYS A 400 -6.664 12.299 -19.133 1.00 0.00 H new ATOM 0 HE3 LYS A 400 -6.887 13.366 -20.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 -8.695 11.784 -20.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 -7.830 11.512 -21.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 -7.614 10.478 -20.428 1.00 0.00 H new ATOM 690 N ARG A 401 -0.276 11.779 -20.404 1.00 0.00 N ATOM 691 CA ARG A 401 0.499 12.902 -20.918 1.00 0.00 C ATOM 692 C ARG A 401 1.869 12.440 -21.406 1.00 0.00 C ATOM 693 O ARG A 401 2.363 11.388 -20.998 1.00 0.00 O ATOM 694 CB ARG A 401 0.666 13.971 -19.836 1.00 0.00 C ATOM 695 CG ARG A 401 1.042 13.407 -18.475 1.00 0.00 C ATOM 696 CD ARG A 401 -0.163 13.333 -17.551 1.00 0.00 C ATOM 697 NE ARG A 401 -0.518 14.641 -17.008 1.00 0.00 N ATOM 698 CZ ARG A 401 -1.416 14.819 -16.046 1.00 0.00 C ATOM 699 NH1 ARG A 401 -2.047 13.776 -15.523 1.00 0.00 N ATOM 700 NH2 ARG A 401 -1.685 16.041 -15.604 1.00 0.00 N ATOM 0 H ARG A 401 0.286 11.013 -20.033 1.00 0.00 H new ATOM 0 HA ARG A 401 -0.043 13.329 -21.762 1.00 0.00 H new ATOM 0 HB2 ARG A 401 1.433 14.678 -20.151 1.00 0.00 H new ATOM 0 HB3 ARG A 401 -0.265 14.531 -19.743 1.00 0.00 H new ATOM 0 HG2 ARG A 401 1.469 12.412 -18.598 1.00 0.00 H new ATOM 0 HG3 ARG A 401 1.812 14.031 -18.021 1.00 0.00 H new ATOM 0 HD2 ARG A 401 -1.013 12.924 -18.097 1.00 0.00 H new ATOM 0 HD3 ARG A 401 0.050 12.646 -16.732 1.00 0.00 H new ATOM 0 HE ARG A 401 -0.050 15.464 -17.389 1.00 0.00 H new ATOM 0 HH11 ARG A 401 -1.843 12.835 -15.860 1.00 0.00 H new ATOM 0 HH12 ARG A 401 -2.736 13.915 -14.784 1.00 0.00 H new ATOM 0 HH21 ARG A 401 -1.202 16.846 -16.003 1.00 0.00 H new ATOM 0 HH22 ARG A 401 -2.375 16.176 -14.865 1.00 0.00 H new ATOM 714 N LYS A 402 2.478 13.232 -22.282 1.00 0.00 N ATOM 715 CA LYS A 402 3.790 12.906 -22.827 1.00 0.00 C ATOM 716 C LYS A 402 4.900 13.476 -21.949 1.00 0.00 C ATOM 717 O LYS A 402 6.034 12.998 -21.978 1.00 0.00 O ATOM 718 CB LYS A 402 3.923 13.447 -24.252 1.00 0.00 C ATOM 719 CG LYS A 402 4.982 12.736 -25.077 1.00 0.00 C ATOM 720 CD LYS A 402 4.552 12.588 -26.527 1.00 0.00 C ATOM 721 CE LYS A 402 4.873 11.202 -27.064 1.00 0.00 C ATOM 722 NZ LYS A 402 6.308 11.071 -27.441 1.00 0.00 N ATOM 0 H LYS A 402 2.083 14.106 -22.630 1.00 0.00 H new ATOM 0 HA LYS A 402 3.888 11.821 -22.848 1.00 0.00 H new ATOM 0 HB2 LYS A 402 2.961 13.358 -24.757 1.00 0.00 H new ATOM 0 HB3 LYS A 402 4.162 14.509 -24.207 1.00 0.00 H new ATOM 0 HG2 LYS A 402 5.917 13.294 -25.029 1.00 0.00 H new ATOM 0 HG3 LYS A 402 5.176 11.751 -24.652 1.00 0.00 H new ATOM 0 HD2 LYS A 402 3.481 12.773 -26.611 1.00 0.00 H new ATOM 0 HD3 LYS A 402 5.054 13.340 -27.135 1.00 0.00 H new ATOM 0 HE2 LYS A 402 4.626 10.454 -26.310 1.00 0.00 H new ATOM 0 HE3 LYS A 402 4.249 10.996 -27.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 6.486 10.112 -27.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 6.538 11.767 -28.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 6.903 11.242 -26.606 1.00 0.00 H new ATOM 736 N ASP A 403 4.566 14.498 -21.170 1.00 0.00 N ATOM 737 CA ASP A 403 5.534 15.132 -20.282 1.00 0.00 C ATOM 738 C ASP A 403 5.898 14.205 -19.126 1.00 0.00 C ATOM 739 O ASP A 403 7.072 13.917 -18.894 1.00 0.00 O ATOM 740 CB ASP A 403 4.975 16.449 -19.740 1.00 0.00 C ATOM 741 CG ASP A 403 5.644 17.659 -20.362 1.00 0.00 C ATOM 742 OD1 ASP A 403 5.748 17.707 -21.606 1.00 0.00 O ATOM 743 OD2 ASP A 403 6.062 18.560 -19.604 1.00 0.00 O ATOM 0 H ASP A 403 3.632 14.906 -21.135 1.00 0.00 H new ATOM 0 HA ASP A 403 6.437 15.339 -20.857 1.00 0.00 H new ATOM 0 HB2 ASP A 403 3.903 16.492 -19.931 1.00 0.00 H new ATOM 0 HB3 ASP A 403 5.108 16.479 -18.659 1.00 0.00 H new ATOM 748 N ARG A 404 4.883 13.743 -18.402 1.00 0.00 N ATOM 749 CA ARG A 404 5.096 12.852 -17.269 1.00 0.00 C ATOM 750 C ARG A 404 5.881 11.613 -17.691 1.00 0.00 C ATOM 751 O ARG A 404 6.959 11.340 -17.164 1.00 0.00 O ATOM 752 CB ARG A 404 3.756 12.437 -16.659 1.00 0.00 C ATOM 753 CG ARG A 404 3.095 13.532 -15.838 1.00 0.00 C ATOM 754 CD ARG A 404 3.886 13.834 -14.575 1.00 0.00 C ATOM 755 NE ARG A 404 3.046 14.409 -13.527 1.00 0.00 N ATOM 756 CZ ARG A 404 2.613 15.665 -13.538 1.00 0.00 C ATOM 757 NH1 ARG A 404 2.940 16.473 -14.537 1.00 0.00 N ATOM 758 NH2 ARG A 404 1.852 16.114 -12.549 1.00 0.00 N ATOM 0 H ARG A 404 3.905 13.972 -18.581 1.00 0.00 H new ATOM 0 HA ARG A 404 5.676 13.391 -16.520 1.00 0.00 H new ATOM 0 HB2 ARG A 404 3.080 12.136 -17.459 1.00 0.00 H new ATOM 0 HB3 ARG A 404 3.910 11.563 -16.026 1.00 0.00 H new ATOM 0 HG2 ARG A 404 3.008 14.437 -16.439 1.00 0.00 H new ATOM 0 HG3 ARG A 404 2.083 13.228 -15.571 1.00 0.00 H new ATOM 0 HD2 ARG A 404 4.347 12.917 -14.208 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.695 14.525 -14.811 1.00 0.00 H new ATOM 0 HE ARG A 404 2.777 13.813 -12.744 1.00 0.00 H new ATOM 0 HH11 ARG A 404 3.525 16.131 -15.299 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.606 17.437 -14.543 1.00 0.00 H new ATOM 0 HH21 ARG A 404 1.599 15.495 -11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.520 17.078 -12.558 1.00 0.00 H new ATOM 772 N MET A 405 5.331 10.868 -18.645 1.00 0.00 N ATOM 773 CA MET A 405 5.980 9.659 -19.138 1.00 0.00 C ATOM 774 C MET A 405 7.409 9.952 -19.583 1.00 0.00 C ATOM 775 O MET A 405 8.297 9.111 -19.444 1.00 0.00 O ATOM 776 CB MET A 405 5.183 9.065 -20.301 1.00 0.00 C ATOM 777 CG MET A 405 5.121 9.970 -21.520 1.00 0.00 C ATOM 778 SD MET A 405 6.420 9.612 -22.718 1.00 0.00 S ATOM 779 CE MET A 405 5.934 7.979 -23.268 1.00 0.00 C ATOM 0 H MET A 405 4.439 11.080 -19.091 1.00 0.00 H new ATOM 0 HA MET A 405 6.013 8.936 -18.323 1.00 0.00 H new ATOM 0 HB2 MET A 405 5.629 8.113 -20.588 1.00 0.00 H new ATOM 0 HB3 MET A 405 4.168 8.853 -19.964 1.00 0.00 H new ATOM 0 HG2 MET A 405 4.149 9.860 -22.000 1.00 0.00 H new ATOM 0 HG3 MET A 405 5.203 11.009 -21.201 1.00 0.00 H new ATOM 0 HE1 MET A 405 6.808 7.445 -23.640 1.00 0.00 H new ATOM 0 HE2 MET A 405 5.501 7.428 -22.433 1.00 0.00 H new ATOM 0 HE3 MET A 405 5.197 8.068 -24.066 1.00 0.00 H new ATOM 789 N SER A 406 7.624 11.149 -20.119 1.00 0.00 N ATOM 790 CA SER A 406 8.945 11.551 -20.589 1.00 0.00 C ATOM 791 C SER A 406 9.921 11.675 -19.423 1.00 0.00 C ATOM 792 O SER A 406 11.125 11.473 -19.583 1.00 0.00 O ATOM 793 CB SER A 406 8.859 12.880 -21.341 1.00 0.00 C ATOM 794 OG SER A 406 10.073 13.603 -21.238 1.00 0.00 O ATOM 0 H SER A 406 6.900 11.858 -20.239 1.00 0.00 H new ATOM 0 HA SER A 406 9.313 10.781 -21.268 1.00 0.00 H new ATOM 0 HB2 SER A 406 8.631 12.694 -22.390 1.00 0.00 H new ATOM 0 HB3 SER A 406 8.041 13.477 -20.938 1.00 0.00 H new ATOM 0 HG SER A 406 9.993 14.448 -21.728 1.00 0.00 H new ATOM 800 N TYR A 407 9.393 12.008 -18.251 1.00 0.00 N ATOM 801 CA TYR A 407 10.217 12.162 -17.058 1.00 0.00 C ATOM 802 C TYR A 407 10.260 10.865 -16.254 1.00 0.00 C ATOM 803 O TYR A 407 11.166 10.650 -15.449 1.00 0.00 O ATOM 804 CB TYR A 407 9.681 13.298 -16.185 1.00 0.00 C ATOM 805 CG TYR A 407 10.424 14.602 -16.366 1.00 0.00 C ATOM 806 CD1 TYR A 407 11.762 14.718 -16.006 1.00 0.00 C ATOM 807 CD2 TYR A 407 9.790 15.719 -16.895 1.00 0.00 C ATOM 808 CE1 TYR A 407 12.445 15.907 -16.168 1.00 0.00 C ATOM 809 CE2 TYR A 407 10.465 16.912 -17.062 1.00 0.00 C ATOM 810 CZ TYR A 407 11.793 17.002 -16.697 1.00 0.00 C ATOM 811 OH TYR A 407 12.469 18.189 -16.861 1.00 0.00 O ATOM 0 H TYR A 407 8.398 12.177 -18.101 1.00 0.00 H new ATOM 0 HA TYR A 407 11.231 12.405 -17.377 1.00 0.00 H new ATOM 0 HB2 TYR A 407 8.627 13.455 -16.414 1.00 0.00 H new ATOM 0 HB3 TYR A 407 9.738 12.999 -15.138 1.00 0.00 H new ATOM 0 HD1 TYR A 407 12.276 13.863 -15.592 1.00 0.00 H new ATOM 0 HD2 TYR A 407 8.751 15.653 -17.181 1.00 0.00 H new ATOM 0 HE1 TYR A 407 13.484 15.980 -15.882 1.00 0.00 H new ATOM 0 HE2 TYR A 407 9.956 17.770 -17.476 1.00 0.00 H new ATOM 0 HH TYR A 407 11.866 18.858 -17.246 1.00 0.00 H new ATOM 821 N HIS A 408 9.273 10.004 -16.480 1.00 0.00 N ATOM 822 CA HIS A 408 9.197 8.727 -15.779 1.00 0.00 C ATOM 823 C HIS A 408 10.048 7.672 -16.479 1.00 0.00 C ATOM 824 O HIS A 408 10.809 6.947 -15.836 1.00 0.00 O ATOM 825 CB HIS A 408 7.746 8.254 -15.693 1.00 0.00 C ATOM 826 CG HIS A 408 7.589 6.919 -15.033 1.00 0.00 C ATOM 827 ND1 HIS A 408 7.524 6.758 -13.665 1.00 0.00 N ATOM 828 CD2 HIS A 408 7.482 5.677 -15.562 1.00 0.00 C ATOM 829 CE1 HIS A 408 7.387 5.476 -13.381 1.00 0.00 C ATOM 830 NE2 HIS A 408 7.358 4.798 -14.514 1.00 0.00 N ATOM 0 H HIS A 408 8.515 10.167 -17.143 1.00 0.00 H new ATOM 0 HA HIS A 408 9.585 8.870 -14.770 1.00 0.00 H new ATOM 0 HB2 HIS A 408 7.164 8.993 -15.142 1.00 0.00 H new ATOM 0 HB3 HIS A 408 7.329 8.204 -16.699 1.00 0.00 H new ATOM 0 HD1 HIS A 408 7.574 7.512 -12.980 1.00 0.00 H new ATOM 0 HD2 HIS A 408 7.492 5.425 -16.612 1.00 0.00 H new ATOM 0 HE1 HIS A 408 7.311 5.053 -12.390 1.00 0.00 H new ATOM 838 N VAL A 409 9.914 7.591 -17.799 1.00 0.00 N ATOM 839 CA VAL A 409 10.671 6.624 -18.585 1.00 0.00 C ATOM 840 C VAL A 409 12.170 6.888 -18.486 1.00 0.00 C ATOM 841 O VAL A 409 12.946 5.994 -18.149 1.00 0.00 O ATOM 842 CB VAL A 409 10.253 6.656 -20.067 1.00 0.00 C ATOM 843 CG1 VAL A 409 11.085 5.675 -20.879 1.00 0.00 C ATOM 844 CG2 VAL A 409 8.769 6.353 -20.208 1.00 0.00 C ATOM 0 H VAL A 409 9.289 8.183 -18.346 1.00 0.00 H new ATOM 0 HA VAL A 409 10.450 5.639 -18.173 1.00 0.00 H new ATOM 0 HB VAL A 409 10.435 7.658 -20.456 1.00 0.00 H new ATOM 0 HG11 VAL A 409 10.775 5.712 -21.923 1.00 0.00 H new ATOM 0 HG12 VAL A 409 12.139 5.942 -20.804 1.00 0.00 H new ATOM 0 HG13 VAL A 409 10.938 4.666 -20.493 1.00 0.00 H new ATOM 0 HG21 VAL A 409 8.491 6.380 -21.262 1.00 0.00 H new ATOM 0 HG22 VAL A 409 8.560 5.363 -19.802 1.00 0.00 H new ATOM 0 HG23 VAL A 409 8.192 7.099 -19.661 1.00 0.00 H new ATOM 854 N ARG A 410 12.569 8.121 -18.781 1.00 0.00 N ATOM 855 CA ARG A 410 13.975 8.502 -18.726 1.00 0.00 C ATOM 856 C ARG A 410 14.514 8.387 -17.303 1.00 0.00 C ATOM 857 O ARG A 410 15.696 8.114 -17.097 1.00 0.00 O ATOM 858 CB ARG A 410 14.158 9.932 -19.238 1.00 0.00 C ATOM 859 CG ARG A 410 13.516 10.181 -20.593 1.00 0.00 C ATOM 860 CD ARG A 410 14.208 9.388 -21.691 1.00 0.00 C ATOM 861 NE ARG A 410 13.251 8.710 -22.561 1.00 0.00 N ATOM 862 CZ ARG A 410 12.439 9.346 -23.398 1.00 0.00 C ATOM 863 NH1 ARG A 410 12.467 10.669 -23.477 1.00 0.00 N ATOM 864 NH2 ARG A 410 11.596 8.658 -24.158 1.00 0.00 N ATOM 0 H ARG A 410 11.939 8.873 -19.060 1.00 0.00 H new ATOM 0 HA ARG A 410 14.536 7.820 -19.365 1.00 0.00 H new ATOM 0 HB2 ARG A 410 13.734 10.626 -18.512 1.00 0.00 H new ATOM 0 HB3 ARG A 410 15.224 10.151 -19.305 1.00 0.00 H new ATOM 0 HG2 ARG A 410 12.462 9.906 -20.553 1.00 0.00 H new ATOM 0 HG3 ARG A 410 13.560 11.245 -20.828 1.00 0.00 H new ATOM 0 HD2 ARG A 410 14.828 10.058 -22.286 1.00 0.00 H new ATOM 0 HD3 ARG A 410 14.875 8.652 -21.242 1.00 0.00 H new ATOM 0 HE ARG A 410 13.203 7.692 -22.524 1.00 0.00 H new ATOM 0 HH11 ARG A 410 13.113 11.201 -22.894 1.00 0.00 H new ATOM 0 HH12 ARG A 410 11.842 11.155 -24.121 1.00 0.00 H new ATOM 0 HH21 ARG A 410 11.571 7.640 -24.100 1.00 0.00 H new ATOM 0 HH22 ARG A 410 10.973 9.147 -24.800 1.00 0.00 H new ATOM 878 N SER A 411 13.638 8.597 -16.325 1.00 0.00 N ATOM 879 CA SER A 411 14.027 8.522 -14.922 1.00 0.00 C ATOM 880 C SER A 411 14.676 7.176 -14.610 1.00 0.00 C ATOM 881 O SER A 411 15.487 7.064 -13.690 1.00 0.00 O ATOM 882 CB SER A 411 12.809 8.734 -14.021 1.00 0.00 C ATOM 883 OG SER A 411 12.849 7.872 -12.897 1.00 0.00 O ATOM 0 H SER A 411 12.655 8.820 -16.479 1.00 0.00 H new ATOM 0 HA SER A 411 14.754 9.311 -14.729 1.00 0.00 H new ATOM 0 HB2 SER A 411 12.776 9.771 -13.687 1.00 0.00 H new ATOM 0 HB3 SER A 411 11.897 8.553 -14.589 1.00 0.00 H new ATOM 0 HG SER A 411 12.060 8.029 -12.336 1.00 0.00 H new ATOM 889 N HIS A 412 14.312 6.158 -15.383 1.00 0.00 N ATOM 890 CA HIS A 412 14.859 4.819 -15.190 1.00 0.00 C ATOM 891 C HIS A 412 16.149 4.640 -15.984 1.00 0.00 C ATOM 892 O HIS A 412 17.159 4.181 -15.449 1.00 0.00 O ATOM 893 CB HIS A 412 13.837 3.763 -15.611 1.00 0.00 C ATOM 894 CG HIS A 412 12.460 4.015 -15.077 1.00 0.00 C ATOM 895 ND1 HIS A 412 12.199 4.231 -13.741 1.00 0.00 N ATOM 896 CD2 HIS A 412 11.265 4.087 -15.709 1.00 0.00 C ATOM 897 CE1 HIS A 412 10.903 4.424 -13.573 1.00 0.00 C ATOM 898 NE2 HIS A 412 10.313 4.341 -14.752 1.00 0.00 N ATOM 0 H HIS A 412 13.642 6.234 -16.148 1.00 0.00 H new ATOM 0 HA HIS A 412 15.085 4.694 -14.131 1.00 0.00 H new ATOM 0 HB2 HIS A 412 13.794 3.724 -16.699 1.00 0.00 H new ATOM 0 HB3 HIS A 412 14.176 2.785 -15.270 1.00 0.00 H new ATOM 0 HD2 HIS A 412 11.092 3.967 -16.768 1.00 0.00 H new ATOM 0 HE1 HIS A 412 10.410 4.617 -12.632 1.00 0.00 H new ATOM 0 HE2 HIS A 412 9.313 4.448 -14.924 1.00 0.00 H new ATOM 959 N LYS A 418 27.698 -3.654 -15.635 1.00 0.00 N ATOM 960 CA LYS A 418 28.865 -4.286 -16.239 1.00 0.00 C ATOM 961 C LYS A 418 29.156 -3.690 -17.612 1.00 0.00 C ATOM 962 O LYS A 418 28.282 -3.121 -18.267 1.00 0.00 O ATOM 963 CB LYS A 418 28.646 -5.796 -16.363 1.00 0.00 C ATOM 964 CG LYS A 418 28.803 -6.542 -15.049 1.00 0.00 C ATOM 965 CD LYS A 418 30.208 -6.398 -14.490 1.00 0.00 C ATOM 966 CE LYS A 418 30.507 -7.470 -13.453 1.00 0.00 C ATOM 967 NZ LYS A 418 30.179 -7.015 -12.074 1.00 0.00 N ATOM 0 HA LYS A 418 29.723 -4.101 -15.592 1.00 0.00 H new ATOM 0 HB2 LYS A 418 27.647 -5.979 -16.758 1.00 0.00 H new ATOM 0 HB3 LYS A 418 29.354 -6.199 -17.087 1.00 0.00 H new ATOM 0 HG2 LYS A 418 28.082 -6.162 -14.325 1.00 0.00 H new ATOM 0 HG3 LYS A 418 28.577 -7.598 -15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 418 30.932 -6.463 -15.302 1.00 0.00 H new ATOM 0 HD3 LYS A 418 30.322 -5.412 -14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 418 29.935 -8.369 -13.684 1.00 0.00 H new ATOM 0 HE3 LYS A 418 31.561 -7.741 -13.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 30.397 -7.774 -11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 30.743 -6.172 -11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 29.167 -6.780 -12.017 1.00 0.00 H new ATOM 981 N PRO A 419 30.413 -3.823 -18.062 1.00 0.00 N ATOM 982 CA PRO A 419 30.847 -3.305 -19.363 1.00 0.00 C ATOM 983 C PRO A 419 30.244 -4.084 -20.527 1.00 0.00 C ATOM 984 O PRO A 419 29.718 -3.496 -21.473 1.00 0.00 O ATOM 985 CB PRO A 419 32.367 -3.488 -19.328 1.00 0.00 C ATOM 986 CG PRO A 419 32.592 -4.606 -18.369 1.00 0.00 C ATOM 987 CD PRO A 419 31.506 -4.490 -17.335 1.00 0.00 C ATOM 0 HA PRO A 419 30.531 -2.273 -19.517 1.00 0.00 H new ATOM 0 HB2 PRO A 419 32.760 -3.729 -20.316 1.00 0.00 H new ATOM 0 HB3 PRO A 419 32.868 -2.577 -18.999 1.00 0.00 H new ATOM 0 HG2 PRO A 419 32.547 -5.570 -18.876 1.00 0.00 H new ATOM 0 HG3 PRO A 419 33.578 -4.533 -17.909 1.00 0.00 H new ATOM 0 HD2 PRO A 419 31.202 -5.467 -16.960 1.00 0.00 H new ATOM 0 HD3 PRO A 419 31.831 -3.906 -16.474 1.00 0.00 H new ATOM 995 N TYR A 420 30.324 -5.407 -20.452 1.00 0.00 N ATOM 996 CA TYR A 420 29.787 -6.266 -21.501 1.00 0.00 C ATOM 997 C TYR A 420 28.685 -7.169 -20.956 1.00 0.00 C ATOM 998 O TYR A 420 28.814 -7.738 -19.871 1.00 0.00 O ATOM 999 CB TYR A 420 30.902 -7.116 -22.114 1.00 0.00 C ATOM 1000 CG TYR A 420 32.064 -6.303 -22.640 1.00 0.00 C ATOM 1001 CD1 TYR A 420 31.942 -5.554 -23.804 1.00 0.00 C ATOM 1002 CD2 TYR A 420 33.283 -6.285 -21.973 1.00 0.00 C ATOM 1003 CE1 TYR A 420 33.001 -4.810 -24.288 1.00 0.00 C ATOM 1004 CE2 TYR A 420 34.346 -5.544 -22.450 1.00 0.00 C ATOM 1005 CZ TYR A 420 34.200 -4.808 -23.608 1.00 0.00 C ATOM 1006 OH TYR A 420 35.258 -4.069 -24.086 1.00 0.00 O ATOM 0 H TYR A 420 30.756 -5.909 -19.676 1.00 0.00 H new ATOM 0 HA TYR A 420 29.359 -5.628 -22.274 1.00 0.00 H new ATOM 0 HB2 TYR A 420 31.269 -7.815 -21.363 1.00 0.00 H new ATOM 0 HB3 TYR A 420 30.488 -7.711 -22.928 1.00 0.00 H new ATOM 0 HD1 TYR A 420 31.004 -5.553 -24.339 1.00 0.00 H new ATOM 0 HD2 TYR A 420 33.401 -6.860 -21.067 1.00 0.00 H new ATOM 0 HE1 TYR A 420 32.890 -4.233 -25.194 1.00 0.00 H new ATOM 0 HE2 TYR A 420 35.287 -5.541 -21.920 1.00 0.00 H new ATOM 0 HH TYR A 420 36.028 -4.176 -23.489 1.00 0.00 H new ATOM 1016 N ILE A 421 27.603 -7.296 -21.716 1.00 0.00 N ATOM 1017 CA ILE A 421 26.479 -8.131 -21.311 1.00 0.00 C ATOM 1018 C ILE A 421 26.132 -9.148 -22.392 1.00 0.00 C ATOM 1019 O ILE A 421 26.271 -8.876 -23.585 1.00 0.00 O ATOM 1020 CB ILE A 421 25.231 -7.283 -21.001 1.00 0.00 C ATOM 1021 CG1 ILE A 421 24.908 -6.362 -22.179 1.00 0.00 C ATOM 1022 CG2 ILE A 421 25.444 -6.472 -19.731 1.00 0.00 C ATOM 1023 CD1 ILE A 421 25.623 -5.030 -22.119 1.00 0.00 C ATOM 0 H ILE A 421 27.481 -6.831 -22.616 1.00 0.00 H new ATOM 0 HA ILE A 421 26.786 -8.656 -20.406 1.00 0.00 H new ATOM 0 HB ILE A 421 24.385 -7.952 -20.844 1.00 0.00 H new ATOM 0 HG12 ILE A 421 25.174 -6.867 -23.108 1.00 0.00 H new ATOM 0 HG13 ILE A 421 23.833 -6.187 -22.208 1.00 0.00 H new ATOM 0 HG21 ILE A 421 24.554 -5.878 -19.525 1.00 0.00 H new ATOM 0 HG22 ILE A 421 25.631 -7.147 -18.896 1.00 0.00 H new ATOM 0 HG23 ILE A 421 26.300 -5.810 -19.861 1.00 0.00 H new ATOM 0 HD11 ILE A 421 25.347 -4.429 -22.986 1.00 0.00 H new ATOM 0 HD12 ILE A 421 25.338 -4.505 -21.207 1.00 0.00 H new ATOM 0 HD13 ILE A 421 26.700 -5.195 -22.121 1.00 0.00 H new ATOM 1035 N CYS A 422 25.678 -10.323 -21.967 1.00 0.00 N ATOM 1036 CA CYS A 422 25.309 -11.383 -22.898 1.00 0.00 C ATOM 1037 C CYS A 422 24.339 -10.864 -23.956 1.00 0.00 C ATOM 1038 O CYS A 422 23.672 -9.849 -23.756 1.00 0.00 O ATOM 1039 CB CYS A 422 24.680 -12.556 -22.144 1.00 0.00 C ATOM 1040 SG CYS A 422 24.684 -14.124 -23.072 1.00 0.00 S ATOM 0 H CYS A 422 25.557 -10.565 -20.984 1.00 0.00 H new ATOM 0 HA CYS A 422 26.215 -11.726 -23.398 1.00 0.00 H new ATOM 0 HB2 CYS A 422 25.216 -12.700 -21.206 1.00 0.00 H new ATOM 0 HB3 CYS A 422 23.652 -12.300 -21.888 1.00 0.00 H new ATOM 0 HG CYS A 422 23.707 -14.875 -22.659 1.00 0.00 H new ATOM 1045 N GLN A 423 24.266 -11.569 -25.080 1.00 0.00 N ATOM 1046 CA GLN A 423 23.377 -11.180 -26.169 1.00 0.00 C ATOM 1047 C GLN A 423 22.026 -11.876 -26.044 1.00 0.00 C ATOM 1048 O GLN A 423 21.098 -11.591 -26.801 1.00 0.00 O ATOM 1049 CB GLN A 423 24.014 -11.515 -27.519 1.00 0.00 C ATOM 1050 CG GLN A 423 24.874 -10.394 -28.081 1.00 0.00 C ATOM 1051 CD GLN A 423 26.063 -10.909 -28.867 1.00 0.00 C ATOM 1052 OE1 GLN A 423 26.082 -10.847 -30.097 1.00 0.00 O ATOM 1053 NE2 GLN A 423 27.064 -11.421 -28.161 1.00 0.00 N ATOM 0 H GLN A 423 24.811 -12.412 -25.261 1.00 0.00 H new ATOM 0 HA GLN A 423 23.217 -10.104 -26.107 1.00 0.00 H new ATOM 0 HB2 GLN A 423 24.625 -12.411 -27.411 1.00 0.00 H new ATOM 0 HB3 GLN A 423 23.226 -11.751 -28.234 1.00 0.00 H new ATOM 0 HG2 GLN A 423 24.264 -9.761 -28.725 1.00 0.00 H new ATOM 0 HG3 GLN A 423 25.228 -9.768 -27.262 1.00 0.00 H new ATOM 0 HE21 GLN A 423 27.006 -11.453 -27.143 1.00 0.00 H new ATOM 0 HE22 GLN A 423 27.891 -11.783 -28.636 1.00 0.00 H new ATOM 1062 N SER A 424 21.923 -12.789 -25.084 1.00 0.00 N ATOM 1063 CA SER A 424 20.686 -13.529 -24.863 1.00 0.00 C ATOM 1064 C SER A 424 20.022 -13.100 -23.558 1.00 0.00 C ATOM 1065 O SER A 424 19.033 -12.368 -23.562 1.00 0.00 O ATOM 1066 CB SER A 424 20.964 -15.033 -24.837 1.00 0.00 C ATOM 1067 OG SER A 424 20.843 -15.597 -26.131 1.00 0.00 O ATOM 0 H SER A 424 22.681 -13.034 -24.447 1.00 0.00 H new ATOM 0 HA SER A 424 20.007 -13.307 -25.686 1.00 0.00 H new ATOM 0 HB2 SER A 424 21.967 -15.214 -24.451 1.00 0.00 H new ATOM 0 HB3 SER A 424 20.267 -15.523 -24.157 1.00 0.00 H new ATOM 0 HG SER A 424 21.027 -16.559 -26.087 1.00 0.00 H new ATOM 1073 N CYS A 425 20.575 -13.562 -22.441 1.00 0.00 N ATOM 1074 CA CYS A 425 20.038 -13.229 -21.127 1.00 0.00 C ATOM 1075 C CYS A 425 20.418 -11.805 -20.730 1.00 0.00 C ATOM 1076 O CYS A 425 19.822 -11.221 -19.826 1.00 0.00 O ATOM 1077 CB CYS A 425 20.552 -14.217 -20.078 1.00 0.00 C ATOM 1078 SG CYS A 425 22.361 -14.203 -19.866 1.00 0.00 S ATOM 0 H CYS A 425 21.395 -14.168 -22.420 1.00 0.00 H new ATOM 0 HA CYS A 425 18.951 -13.296 -21.178 1.00 0.00 H new ATOM 0 HB2 CYS A 425 20.083 -13.990 -19.121 1.00 0.00 H new ATOM 0 HB3 CYS A 425 20.237 -15.223 -20.357 1.00 0.00 H new ATOM 0 HG CYS A 425 22.839 -15.382 -20.135 1.00 0.00 H new ATOM 1083 N GLY A 426 21.415 -11.252 -21.414 1.00 0.00 N ATOM 1084 CA GLY A 426 21.857 -9.901 -21.119 1.00 0.00 C ATOM 1085 C GLY A 426 22.085 -9.677 -19.637 1.00 0.00 C ATOM 1086 O GLY A 426 21.418 -8.847 -19.018 1.00 0.00 O ATOM 0 H GLY A 426 21.924 -11.715 -22.167 1.00 0.00 H new ATOM 0 HA2 GLY A 426 22.781 -9.698 -21.661 1.00 0.00 H new ATOM 0 HA3 GLY A 426 21.113 -9.191 -21.480 1.00 0.00 H new ATOM 1090 N LYS A 427 23.028 -10.418 -19.066 1.00 0.00 N ATOM 1091 CA LYS A 427 23.343 -10.297 -17.648 1.00 0.00 C ATOM 1092 C LYS A 427 24.417 -9.239 -17.417 1.00 0.00 C ATOM 1093 O LYS A 427 24.124 -8.128 -16.979 1.00 0.00 O ATOM 1094 CB LYS A 427 23.810 -11.644 -17.091 1.00 0.00 C ATOM 1095 CG LYS A 427 24.220 -11.588 -15.630 1.00 0.00 C ATOM 1096 CD LYS A 427 24.220 -12.970 -14.998 1.00 0.00 C ATOM 1097 CE LYS A 427 23.673 -12.934 -13.579 1.00 0.00 C ATOM 1098 NZ LYS A 427 24.735 -12.616 -12.584 1.00 0.00 N ATOM 0 H LYS A 427 23.588 -11.110 -19.564 1.00 0.00 H new ATOM 0 HA LYS A 427 22.437 -9.989 -17.126 1.00 0.00 H new ATOM 0 HB2 LYS A 427 23.008 -12.373 -17.207 1.00 0.00 H new ATOM 0 HB3 LYS A 427 24.653 -12.000 -17.683 1.00 0.00 H new ATOM 0 HG2 LYS A 427 25.214 -11.149 -15.547 1.00 0.00 H new ATOM 0 HG3 LYS A 427 23.537 -10.937 -15.084 1.00 0.00 H new ATOM 0 HD2 LYS A 427 23.619 -13.648 -15.604 1.00 0.00 H new ATOM 0 HD3 LYS A 427 25.235 -13.367 -14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 427 22.880 -12.189 -13.514 1.00 0.00 H new ATOM 0 HE3 LYS A 427 23.226 -13.898 -13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 24.323 -12.601 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 25.480 -13.340 -12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 25.145 -11.685 -12.799 1.00 0.00 H new ATOM 1112 N GLY A 428 25.663 -9.593 -17.716 1.00 0.00 N ATOM 1113 CA GLY A 428 26.762 -8.662 -17.536 1.00 0.00 C ATOM 1114 C GLY A 428 27.979 -9.315 -16.911 1.00 0.00 C ATOM 1115 O GLY A 428 27.861 -10.056 -15.934 1.00 0.00 O ATOM 0 H GLY A 428 25.931 -10.508 -18.080 1.00 0.00 H new ATOM 0 HA2 GLY A 428 27.037 -8.238 -18.502 1.00 0.00 H new ATOM 0 HA3 GLY A 428 26.434 -7.835 -16.907 1.00 0.00 H new ATOM 1119 N PHE A 429 29.151 -9.043 -17.475 1.00 0.00 N ATOM 1120 CA PHE A 429 30.394 -9.611 -16.968 1.00 0.00 C ATOM 1121 C PHE A 429 31.498 -8.558 -16.929 1.00 0.00 C ATOM 1122 O PHE A 429 31.668 -7.788 -17.873 1.00 0.00 O ATOM 1123 CB PHE A 429 30.831 -10.793 -17.836 1.00 0.00 C ATOM 1124 CG PHE A 429 29.936 -11.993 -17.710 1.00 0.00 C ATOM 1125 CD1 PHE A 429 28.752 -12.068 -18.426 1.00 0.00 C ATOM 1126 CD2 PHE A 429 30.280 -13.045 -16.877 1.00 0.00 C ATOM 1127 CE1 PHE A 429 27.926 -13.171 -18.311 1.00 0.00 C ATOM 1128 CE2 PHE A 429 29.458 -14.151 -16.759 1.00 0.00 C ATOM 1129 CZ PHE A 429 28.281 -14.214 -17.478 1.00 0.00 C ATOM 0 H PHE A 429 29.266 -8.432 -18.284 1.00 0.00 H new ATOM 0 HA PHE A 429 30.215 -9.962 -15.952 1.00 0.00 H new ATOM 0 HB2 PHE A 429 30.857 -10.477 -18.879 1.00 0.00 H new ATOM 0 HB3 PHE A 429 31.847 -11.078 -17.563 1.00 0.00 H new ATOM 0 HD1 PHE A 429 28.471 -11.256 -19.081 1.00 0.00 H new ATOM 0 HD2 PHE A 429 31.200 -13.001 -16.313 1.00 0.00 H new ATOM 0 HE1 PHE A 429 27.004 -13.217 -18.872 1.00 0.00 H new ATOM 0 HE2 PHE A 429 29.736 -14.964 -16.105 1.00 0.00 H new ATOM 0 HZ PHE A 429 27.639 -15.078 -17.389 1.00 0.00 H new ATOM 1139 N SER A 430 32.244 -8.532 -15.829 1.00 0.00 N ATOM 1140 CA SER A 430 33.328 -7.572 -15.664 1.00 0.00 C ATOM 1141 C SER A 430 34.271 -7.605 -16.863 1.00 0.00 C ATOM 1142 O SER A 430 34.528 -6.580 -17.494 1.00 0.00 O ATOM 1143 CB SER A 430 34.107 -7.865 -14.380 1.00 0.00 C ATOM 1144 OG SER A 430 34.405 -6.670 -13.680 1.00 0.00 O ATOM 0 H SER A 430 32.117 -9.165 -15.039 1.00 0.00 H new ATOM 0 HA SER A 430 32.890 -6.576 -15.596 1.00 0.00 H new ATOM 0 HB2 SER A 430 33.524 -8.529 -13.741 1.00 0.00 H new ATOM 0 HB3 SER A 430 35.032 -8.388 -14.623 1.00 0.00 H new ATOM 0 HG SER A 430 34.901 -6.885 -12.863 1.00 0.00 H new ATOM 1150 N ARG A 431 34.783 -8.792 -17.172 1.00 0.00 N ATOM 1151 CA ARG A 431 35.699 -8.961 -18.294 1.00 0.00 C ATOM 1152 C ARG A 431 34.983 -9.579 -19.492 1.00 0.00 C ATOM 1153 O ARG A 431 33.922 -10.190 -19.364 1.00 0.00 O ATOM 1154 CB ARG A 431 36.883 -9.838 -17.886 1.00 0.00 C ATOM 1155 CG ARG A 431 38.122 -9.047 -17.498 1.00 0.00 C ATOM 1156 CD ARG A 431 38.060 -8.593 -16.048 1.00 0.00 C ATOM 1157 NE ARG A 431 39.318 -8.830 -15.345 1.00 0.00 N ATOM 1158 CZ ARG A 431 40.375 -8.030 -15.440 1.00 0.00 C ATOM 1159 NH1 ARG A 431 40.324 -6.947 -16.202 1.00 0.00 N ATOM 1160 NH2 ARG A 431 41.485 -8.314 -14.770 1.00 0.00 N ATOM 0 H ARG A 431 34.579 -9.651 -16.661 1.00 0.00 H new ATOM 0 HA ARG A 431 36.068 -7.976 -18.581 1.00 0.00 H new ATOM 0 HB2 ARG A 431 36.586 -10.467 -17.047 1.00 0.00 H new ATOM 0 HB3 ARG A 431 37.132 -10.505 -18.712 1.00 0.00 H new ATOM 0 HG2 ARG A 431 39.010 -9.661 -17.651 1.00 0.00 H new ATOM 0 HG3 ARG A 431 38.219 -8.178 -18.149 1.00 0.00 H new ATOM 0 HD2 ARG A 431 37.819 -7.531 -16.011 1.00 0.00 H new ATOM 0 HD3 ARG A 431 37.255 -9.121 -15.537 1.00 0.00 H new ATOM 0 HE ARG A 431 39.389 -9.654 -14.749 1.00 0.00 H new ATOM 0 HH11 ARG A 431 39.472 -6.726 -16.717 1.00 0.00 H new ATOM 0 HH12 ARG A 431 41.137 -6.335 -16.273 1.00 0.00 H new ATOM 0 HH21 ARG A 431 41.527 -9.146 -14.182 1.00 0.00 H new ATOM 0 HH22 ARG A 431 42.296 -7.700 -14.843 1.00 0.00 H new ATOM 1174 N PRO A 432 35.575 -9.416 -20.684 1.00 0.00 N ATOM 1175 CA PRO A 432 35.011 -9.951 -21.927 1.00 0.00 C ATOM 1176 C PRO A 432 35.083 -11.473 -21.989 1.00 0.00 C ATOM 1177 O PRO A 432 34.099 -12.137 -22.313 1.00 0.00 O ATOM 1178 CB PRO A 432 35.894 -9.329 -23.013 1.00 0.00 C ATOM 1179 CG PRO A 432 37.188 -9.045 -22.332 1.00 0.00 C ATOM 1180 CD PRO A 432 36.841 -8.699 -20.910 1.00 0.00 C ATOM 0 HA PRO A 432 33.952 -9.713 -22.030 1.00 0.00 H new ATOM 0 HB2 PRO A 432 36.030 -10.011 -23.852 1.00 0.00 H new ATOM 0 HB3 PRO A 432 35.448 -8.418 -23.412 1.00 0.00 H new ATOM 0 HG2 PRO A 432 37.849 -9.911 -22.373 1.00 0.00 H new ATOM 0 HG3 PRO A 432 37.712 -8.221 -22.817 1.00 0.00 H new ATOM 0 HD2 PRO A 432 37.616 -9.024 -20.217 1.00 0.00 H new ATOM 0 HD3 PRO A 432 36.724 -7.624 -20.775 1.00 0.00 H new ATOM 1188 N ASP A 433 36.253 -12.018 -21.675 1.00 0.00 N ATOM 1189 CA ASP A 433 36.453 -13.463 -21.694 1.00 0.00 C ATOM 1190 C ASP A 433 35.400 -14.167 -20.844 1.00 0.00 C ATOM 1191 O ASP A 433 34.948 -15.263 -21.179 1.00 0.00 O ATOM 1192 CB ASP A 433 37.853 -13.812 -21.187 1.00 0.00 C ATOM 1193 CG ASP A 433 38.725 -14.419 -22.268 1.00 0.00 C ATOM 1194 OD1 ASP A 433 39.134 -13.678 -23.186 1.00 0.00 O ATOM 1195 OD2 ASP A 433 38.998 -15.636 -22.197 1.00 0.00 O ATOM 0 H ASP A 433 37.077 -11.482 -21.404 1.00 0.00 H new ATOM 0 HA ASP A 433 36.352 -13.806 -22.724 1.00 0.00 H new ATOM 0 HB2 ASP A 433 38.331 -12.912 -20.801 1.00 0.00 H new ATOM 0 HB3 ASP A 433 37.771 -14.511 -20.355 1.00 0.00 H new ATOM 1200 N HIS A 434 35.015 -13.533 -19.741 1.00 0.00 N ATOM 1201 CA HIS A 434 34.016 -14.099 -18.842 1.00 0.00 C ATOM 1202 C HIS A 434 32.691 -14.312 -19.567 1.00 0.00 C ATOM 1203 O HIS A 434 31.917 -15.205 -19.219 1.00 0.00 O ATOM 1204 CB HIS A 434 33.809 -13.185 -17.634 1.00 0.00 C ATOM 1205 CG HIS A 434 35.002 -13.105 -16.732 1.00 0.00 C ATOM 1206 ND1 HIS A 434 34.903 -12.926 -15.368 1.00 0.00 N ATOM 1207 CD2 HIS A 434 36.325 -13.183 -17.005 1.00 0.00 C ATOM 1208 CE1 HIS A 434 36.114 -12.895 -14.841 1.00 0.00 C ATOM 1209 NE2 HIS A 434 36.995 -13.049 -15.813 1.00 0.00 N ATOM 0 H HIS A 434 35.380 -12.627 -19.448 1.00 0.00 H new ATOM 0 HA HIS A 434 34.381 -15.067 -18.497 1.00 0.00 H new ATOM 0 HB2 HIS A 434 33.561 -12.183 -17.985 1.00 0.00 H new ATOM 0 HB3 HIS A 434 32.954 -13.542 -17.061 1.00 0.00 H new ATOM 0 HD2 HIS A 434 36.771 -13.324 -17.978 1.00 0.00 H new ATOM 0 HE1 HIS A 434 36.344 -12.766 -13.794 1.00 0.00 H new ATOM 0 HE2 HIS A 434 38.008 -13.066 -15.697 1.00 0.00 H new ATOM 1217 N LEU A 435 32.435 -13.486 -20.576 1.00 0.00 N ATOM 1218 CA LEU A 435 31.203 -13.583 -21.351 1.00 0.00 C ATOM 1219 C LEU A 435 31.337 -14.623 -22.459 1.00 0.00 C ATOM 1220 O LEU A 435 30.358 -15.260 -22.847 1.00 0.00 O ATOM 1221 CB LEU A 435 30.847 -12.223 -21.953 1.00 0.00 C ATOM 1222 CG LEU A 435 29.547 -12.163 -22.755 1.00 0.00 C ATOM 1223 CD1 LEU A 435 28.350 -12.421 -21.852 1.00 0.00 C ATOM 1224 CD2 LEU A 435 29.412 -10.817 -23.452 1.00 0.00 C ATOM 0 H LEU A 435 33.064 -12.742 -20.876 1.00 0.00 H new ATOM 0 HA LEU A 435 30.404 -13.896 -20.679 1.00 0.00 H new ATOM 0 HB2 LEU A 435 30.785 -11.495 -21.144 1.00 0.00 H new ATOM 0 HB3 LEU A 435 31.665 -11.910 -22.602 1.00 0.00 H new ATOM 0 HG LEU A 435 29.576 -12.942 -23.516 1.00 0.00 H new ATOM 0 HD11 LEU A 435 27.434 -12.374 -22.440 1.00 0.00 H new ATOM 0 HD12 LEU A 435 28.441 -13.409 -21.400 1.00 0.00 H new ATOM 0 HD13 LEU A 435 28.316 -11.665 -21.068 1.00 0.00 H new ATOM 0 HD21 LEU A 435 28.481 -10.792 -24.018 1.00 0.00 H new ATOM 0 HD22 LEU A 435 29.405 -10.021 -22.708 1.00 0.00 H new ATOM 0 HD23 LEU A 435 30.253 -10.673 -24.130 1.00 0.00 H new ATOM 1236 N ASN A 436 32.555 -14.791 -22.962 1.00 0.00 N ATOM 1237 CA ASN A 436 32.817 -15.755 -24.024 1.00 0.00 C ATOM 1238 C ASN A 436 32.544 -17.178 -23.547 1.00 0.00 C ATOM 1239 O ASN A 436 32.147 -18.041 -24.329 1.00 0.00 O ATOM 1240 CB ASN A 436 34.265 -15.635 -24.504 1.00 0.00 C ATOM 1241 CG ASN A 436 34.696 -16.823 -25.342 1.00 0.00 C ATOM 1242 OD1 ASN A 436 34.562 -16.815 -26.566 1.00 0.00 O ATOM 1243 ND2 ASN A 436 35.218 -17.852 -24.685 1.00 0.00 N ATOM 0 H ASN A 436 33.376 -14.272 -22.651 1.00 0.00 H new ATOM 0 HA ASN A 436 32.146 -15.534 -24.854 1.00 0.00 H new ATOM 0 HB2 ASN A 436 34.377 -14.722 -25.088 1.00 0.00 H new ATOM 0 HB3 ASN A 436 34.925 -15.544 -23.641 1.00 0.00 H new ATOM 0 HD21 ASN A 436 35.527 -18.679 -25.195 1.00 0.00 H new ATOM 0 HD22 ASN A 436 35.310 -17.815 -23.670 1.00 0.00 H new ATOM 1250 N GLY A 437 32.758 -17.415 -22.256 1.00 0.00 N ATOM 1251 CA GLY A 437 32.530 -18.734 -21.697 1.00 0.00 C ATOM 1252 C GLY A 437 31.073 -18.973 -21.351 1.00 0.00 C ATOM 1253 O GLY A 437 30.577 -20.094 -21.463 1.00 0.00 O ATOM 0 H GLY A 437 33.085 -16.717 -21.588 1.00 0.00 H new ATOM 0 HA2 GLY A 437 32.860 -19.489 -22.410 1.00 0.00 H new ATOM 0 HA3 GLY A 437 33.138 -18.855 -20.800 1.00 0.00 H new ATOM 1257 N HIS A 438 30.386 -17.916 -20.928 1.00 0.00 N ATOM 1258 CA HIS A 438 28.978 -18.016 -20.563 1.00 0.00 C ATOM 1259 C HIS A 438 28.139 -18.470 -21.754 1.00 0.00 C ATOM 1260 O HIS A 438 27.303 -19.365 -21.631 1.00 0.00 O ATOM 1261 CB HIS A 438 28.466 -16.671 -20.047 1.00 0.00 C ATOM 1262 CG HIS A 438 26.976 -16.612 -19.902 1.00 0.00 C ATOM 1263 ND1 HIS A 438 26.329 -16.807 -18.701 1.00 0.00 N ATOM 1264 CD2 HIS A 438 26.006 -16.378 -20.817 1.00 0.00 C ATOM 1265 CE1 HIS A 438 25.025 -16.696 -18.883 1.00 0.00 C ATOM 1266 NE2 HIS A 438 24.803 -16.435 -20.158 1.00 0.00 N ATOM 0 H HIS A 438 30.782 -16.981 -20.830 1.00 0.00 H new ATOM 0 HA HIS A 438 28.885 -18.759 -19.771 1.00 0.00 H new ATOM 0 HB2 HIS A 438 28.925 -16.463 -19.080 1.00 0.00 H new ATOM 0 HB3 HIS A 438 28.788 -15.884 -20.728 1.00 0.00 H new ATOM 0 HD1 HIS A 438 26.785 -17.006 -17.811 1.00 0.00 H new ATOM 0 HD2 HIS A 438 26.151 -16.183 -21.869 1.00 0.00 H new ATOM 0 HE1 HIS A 438 24.269 -16.801 -18.119 1.00 0.00 H new ATOM 1274 N ILE A 439 28.368 -17.847 -22.905 1.00 0.00 N ATOM 1275 CA ILE A 439 27.634 -18.187 -24.117 1.00 0.00 C ATOM 1276 C ILE A 439 27.679 -19.688 -24.383 1.00 0.00 C ATOM 1277 O ILE A 439 26.725 -20.266 -24.905 1.00 0.00 O ATOM 1278 CB ILE A 439 28.195 -17.443 -25.343 1.00 0.00 C ATOM 1279 CG1 ILE A 439 28.122 -15.930 -25.126 1.00 0.00 C ATOM 1280 CG2 ILE A 439 27.434 -17.841 -26.599 1.00 0.00 C ATOM 1281 CD1 ILE A 439 29.366 -15.195 -25.572 1.00 0.00 C ATOM 0 H ILE A 439 29.056 -17.104 -23.023 1.00 0.00 H new ATOM 0 HA ILE A 439 26.601 -17.879 -23.957 1.00 0.00 H new ATOM 0 HB ILE A 439 29.241 -17.723 -25.472 1.00 0.00 H new ATOM 0 HG12 ILE A 439 27.262 -15.535 -25.667 1.00 0.00 H new ATOM 0 HG13 ILE A 439 27.952 -15.731 -24.068 1.00 0.00 H new ATOM 0 HG21 ILE A 439 27.843 -17.307 -27.457 1.00 0.00 H new ATOM 0 HG22 ILE A 439 27.533 -18.915 -26.760 1.00 0.00 H new ATOM 0 HG23 ILE A 439 26.380 -17.587 -26.482 1.00 0.00 H new ATOM 0 HD11 ILE A 439 29.243 -14.128 -25.388 1.00 0.00 H new ATOM 0 HD12 ILE A 439 30.226 -15.563 -25.013 1.00 0.00 H new ATOM 0 HD13 ILE A 439 29.526 -15.364 -26.637 1.00 0.00 H new ATOM 1293 N LYS A 440 28.792 -20.315 -24.020 1.00 0.00 N ATOM 1294 CA LYS A 440 28.962 -21.750 -24.216 1.00 0.00 C ATOM 1295 C LYS A 440 28.505 -22.525 -22.984 1.00 0.00 C ATOM 1296 O LYS A 440 28.159 -23.702 -23.075 1.00 0.00 O ATOM 1297 CB LYS A 440 30.426 -22.074 -24.522 1.00 0.00 C ATOM 1298 CG LYS A 440 30.658 -22.559 -25.943 1.00 0.00 C ATOM 1299 CD LYS A 440 31.517 -21.585 -26.731 1.00 0.00 C ATOM 1300 CE LYS A 440 31.654 -22.013 -28.184 1.00 0.00 C ATOM 1301 NZ LYS A 440 32.941 -22.719 -28.435 1.00 0.00 N ATOM 0 H LYS A 440 29.591 -19.851 -23.588 1.00 0.00 H new ATOM 0 HA LYS A 440 28.345 -22.052 -25.063 1.00 0.00 H new ATOM 0 HB2 LYS A 440 31.030 -21.184 -24.348 1.00 0.00 H new ATOM 0 HB3 LYS A 440 30.774 -22.837 -23.825 1.00 0.00 H new ATOM 0 HG2 LYS A 440 31.141 -23.536 -25.921 1.00 0.00 H new ATOM 0 HG3 LYS A 440 29.699 -22.689 -26.445 1.00 0.00 H new ATOM 0 HD2 LYS A 440 31.076 -20.589 -26.684 1.00 0.00 H new ATOM 0 HD3 LYS A 440 32.505 -21.518 -26.275 1.00 0.00 H new ATOM 0 HE2 LYS A 440 30.823 -22.667 -28.450 1.00 0.00 H new ATOM 0 HE3 LYS A 440 31.589 -21.136 -28.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 32.996 -22.994 -29.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 33.734 -22.087 -28.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 32.992 -23.570 -27.839 1.00 0.00 H new ATOM 1315 N GLN A 441 28.505 -21.856 -21.836 1.00 0.00 N ATOM 1316 CA GLN A 441 28.090 -22.483 -20.587 1.00 0.00 C ATOM 1317 C GLN A 441 26.573 -22.629 -20.529 1.00 0.00 C ATOM 1318 O GLN A 441 26.045 -23.740 -20.547 1.00 0.00 O ATOM 1319 CB GLN A 441 28.581 -21.663 -19.392 1.00 0.00 C ATOM 1320 CG GLN A 441 29.468 -22.448 -18.439 1.00 0.00 C ATOM 1321 CD GLN A 441 29.140 -22.182 -16.983 1.00 0.00 C ATOM 1322 OE1 GLN A 441 28.059 -22.528 -16.505 1.00 0.00 O ATOM 1323 NE2 GLN A 441 30.073 -21.564 -16.269 1.00 0.00 N ATOM 0 H GLN A 441 28.788 -20.880 -21.745 1.00 0.00 H new ATOM 0 HA GLN A 441 28.535 -23.477 -20.544 1.00 0.00 H new ATOM 0 HB2 GLN A 441 29.132 -20.797 -19.758 1.00 0.00 H new ATOM 0 HB3 GLN A 441 27.719 -21.284 -18.843 1.00 0.00 H new ATOM 0 HG2 GLN A 441 29.360 -23.513 -18.643 1.00 0.00 H new ATOM 0 HG3 GLN A 441 30.511 -22.192 -18.625 1.00 0.00 H new ATOM 0 HE21 GLN A 441 30.955 -21.295 -16.706 1.00 0.00 H new ATOM 0 HE22 GLN A 441 29.908 -21.358 -15.284 1.00 0.00 H new ATOM 1332 N VAL A 442 25.877 -21.498 -20.460 1.00 0.00 N ATOM 1333 CA VAL A 442 24.420 -21.500 -20.400 1.00 0.00 C ATOM 1334 C VAL A 442 23.814 -21.730 -21.780 1.00 0.00 C ATOM 1335 O VAL A 442 23.107 -22.714 -22.003 1.00 0.00 O ATOM 1336 CB VAL A 442 23.880 -20.176 -19.829 1.00 0.00 C ATOM 1337 CG1 VAL A 442 22.359 -20.186 -19.802 1.00 0.00 C ATOM 1338 CG2 VAL A 442 24.445 -19.926 -18.439 1.00 0.00 C ATOM 0 H VAL A 442 26.299 -20.569 -20.444 1.00 0.00 H new ATOM 0 HA VAL A 442 24.131 -22.317 -19.738 1.00 0.00 H new ATOM 0 HB VAL A 442 24.202 -19.362 -20.479 1.00 0.00 H new ATOM 0 HG11 VAL A 442 21.996 -19.242 -19.395 1.00 0.00 H new ATOM 0 HG12 VAL A 442 21.978 -20.315 -20.815 1.00 0.00 H new ATOM 0 HG13 VAL A 442 22.012 -21.008 -19.176 1.00 0.00 H new ATOM 0 HG21 VAL A 442 24.053 -18.986 -18.051 1.00 0.00 H new ATOM 0 HG22 VAL A 442 24.155 -20.742 -17.776 1.00 0.00 H new ATOM 0 HG23 VAL A 442 25.532 -19.871 -18.493 1.00 0.00 H new ATOM 1348 N HIS A 443 24.096 -20.818 -22.704 1.00 0.00 N ATOM 1349 CA HIS A 443 23.579 -20.922 -24.064 1.00 0.00 C ATOM 1350 C HIS A 443 24.432 -21.873 -24.898 1.00 0.00 C ATOM 1351 O HIS A 443 25.334 -22.530 -24.379 1.00 0.00 O ATOM 1352 CB HIS A 443 23.538 -19.543 -24.724 1.00 0.00 C ATOM 1353 CG HIS A 443 22.940 -18.481 -23.854 1.00 0.00 C ATOM 1354 ND1 HIS A 443 21.610 -18.464 -23.494 1.00 0.00 N ATOM 1355 CD2 HIS A 443 23.500 -17.395 -23.271 1.00 0.00 C ATOM 1356 CE1 HIS A 443 21.376 -17.413 -22.728 1.00 0.00 C ATOM 1357 NE2 HIS A 443 22.507 -16.748 -22.577 1.00 0.00 N ATOM 0 H HIS A 443 24.680 -19.998 -22.536 1.00 0.00 H new ATOM 0 HA HIS A 443 22.566 -21.321 -24.012 1.00 0.00 H new ATOM 0 HB2 HIS A 443 24.552 -19.250 -24.997 1.00 0.00 H new ATOM 0 HB3 HIS A 443 22.965 -19.609 -25.649 1.00 0.00 H new ATOM 0 HD1 HIS A 443 20.914 -19.155 -23.775 1.00 0.00 H new ATOM 0 HD2 HIS A 443 24.535 -17.094 -23.339 1.00 0.00 H new ATOM 0 HE1 HIS A 443 20.422 -17.144 -22.299 1.00 0.00 H new