USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 537 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 387 TYR OH : rot 45:sc= -4.7! USER MOD Set 1.2: A 404 CYS SG : rot 95:sc= 0.715 USER MOD Single : A 369 ASN : amide:sc= -0.0404 X(o=-0.04,f=-0.04) USER MOD Single : A 371 LYS NZ :NH3+ 148:sc= -0.333 (180deg=-1.34!) USER MOD Single : A 373 GLN : amide:sc= -5.12! K(o=-5.1!,f=-2.1) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 380 TYR OH : rot -147:sc= 1.18 USER MOD Single : A 382 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 386 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-4!) USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -3.29! C(o=-3.3!,f=-11!) USER MOD Single : A 400 SER OG : rot -90:sc= -1.8 USER MOD Single : A 410 THR OG1 : rot 27:sc= 0.076 USER MOD Single : A 414 THR OG1 : rot 160:sc= -2.7! USER MOD Single : A 419 ASN : amide:sc= -4.72! K(o=-4.7!,f=-0.83) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.342 K(o=-0.34,f=-6.1!) USER MOD Single : A 435 LYS NZ :NH3+ 153:sc= -0.114 (180deg=-0.545) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 147:sc= -1.18 (180deg=-1.95) USER MOD Single : A 441 TYR OH : rot -130:sc= -1.53 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ASN A 369 -2.863 -3.346 9.081 1.00 0.00 N ATOM 103 CA ASN A 369 -2.568 -2.004 9.572 1.00 0.00 C ATOM 104 C ASN A 369 -1.647 -1.253 8.612 1.00 0.00 C ATOM 105 O ASN A 369 -1.669 -0.023 8.554 1.00 0.00 O ATOM 106 CB ASN A 369 -1.928 -2.081 10.963 1.00 0.00 C ATOM 107 CG ASN A 369 -0.491 -2.572 10.920 1.00 0.00 C ATOM 108 OD1 ASN A 369 0.449 -1.785 11.037 1.00 0.00 O ATOM 109 ND2 ASN A 369 -0.312 -3.878 10.753 1.00 0.00 N ATOM 0 HA ASN A 369 -3.507 -1.455 9.638 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -1.957 -1.095 11.427 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -2.517 -2.748 11.593 1.00 0.00 H new ATOM 0 HD21 ASN A 369 0.632 -4.263 10.718 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -1.118 -4.496 10.660 1.00 0.00 H new ATOM 116 N ALA A 370 -0.833 -2.000 7.865 1.00 0.00 N ATOM 117 CA ALA A 370 0.099 -1.401 6.913 1.00 0.00 C ATOM 118 C ALA A 370 -0.580 -0.323 6.075 1.00 0.00 C ATOM 119 O ALA A 370 0.008 0.722 5.795 1.00 0.00 O ATOM 120 CB ALA A 370 0.698 -2.474 6.014 1.00 0.00 C ATOM 0 H ALA A 370 -0.801 -3.019 7.902 1.00 0.00 H new ATOM 0 HA ALA A 370 0.900 -0.927 7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 370 1.391 -2.013 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 370 1.232 -3.203 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -0.099 -2.975 5.464 1.00 0.00 H new ATOM 126 N LYS A 371 -1.821 -0.582 5.685 1.00 0.00 N ATOM 127 CA LYS A 371 -2.582 0.372 4.887 1.00 0.00 C ATOM 128 C LYS A 371 -2.876 1.633 5.687 1.00 0.00 C ATOM 129 O LYS A 371 -2.719 2.748 5.191 1.00 0.00 O ATOM 130 CB LYS A 371 -3.892 -0.256 4.411 1.00 0.00 C ATOM 131 CG LYS A 371 -4.450 0.381 3.149 1.00 0.00 C ATOM 132 CD LYS A 371 -5.556 1.374 3.470 1.00 0.00 C ATOM 133 CE LYS A 371 -6.578 1.452 2.347 1.00 0.00 C ATOM 134 NZ LYS A 371 -7.099 0.109 1.973 1.00 0.00 N ATOM 0 H LYS A 371 -2.322 -1.442 5.907 1.00 0.00 H new ATOM 0 HA LYS A 371 -1.980 0.642 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -3.731 -1.319 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.633 -0.176 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -3.649 0.888 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -4.836 -0.395 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.052 1.081 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -5.123 2.360 3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -7.407 2.090 2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -6.123 1.920 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -8.086 0.195 1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -6.523 -0.285 1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -7.053 -0.523 2.797 1.00 0.00 H new ATOM 148 N ARG A 372 -3.297 1.445 6.931 1.00 0.00 N ATOM 149 CA ARG A 372 -3.609 2.566 7.807 1.00 0.00 C ATOM 150 C ARG A 372 -2.371 3.424 8.033 1.00 0.00 C ATOM 151 O ARG A 372 -2.465 4.642 8.188 1.00 0.00 O ATOM 152 CB ARG A 372 -4.149 2.065 9.149 1.00 0.00 C ATOM 153 CG ARG A 372 -5.312 1.096 9.018 1.00 0.00 C ATOM 154 CD ARG A 372 -5.607 0.399 10.336 1.00 0.00 C ATOM 155 NE ARG A 372 -6.756 -0.498 10.237 1.00 0.00 N ATOM 156 CZ ARG A 372 -8.021 -0.090 10.285 1.00 0.00 C ATOM 157 NH1 ARG A 372 -8.307 1.199 10.428 1.00 0.00 N ATOM 158 NH2 ARG A 372 -9.006 -0.974 10.189 1.00 0.00 N ATOM 0 H ARG A 372 -3.430 0.527 7.356 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.376 3.173 7.325 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -3.342 1.578 9.696 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -4.466 2.921 9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -6.199 1.634 8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -5.083 0.352 8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -4.731 -0.168 10.650 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -5.796 1.146 11.107 1.00 0.00 H new ATOM 0 HE ARG A 372 -6.578 -1.496 10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -7.554 1.883 10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -9.279 1.505 10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -8.793 -1.965 10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -9.976 -0.662 10.226 1.00 0.00 H new ATOM 170 N GLN A 373 -1.212 2.779 8.044 1.00 0.00 N ATOM 171 CA GLN A 373 0.048 3.480 8.244 1.00 0.00 C ATOM 172 C GLN A 373 0.316 4.438 7.090 1.00 0.00 C ATOM 173 O GLN A 373 0.604 5.615 7.302 1.00 0.00 O ATOM 174 CB GLN A 373 1.199 2.480 8.376 1.00 0.00 C ATOM 175 CG GLN A 373 1.928 2.571 9.706 1.00 0.00 C ATOM 176 CD GLN A 373 3.045 3.597 9.692 1.00 0.00 C ATOM 177 OE1 GLN A 373 3.100 4.481 10.546 1.00 0.00 O ATOM 178 NE2 GLN A 373 3.941 3.483 8.720 1.00 0.00 N ATOM 0 H GLN A 373 -1.119 1.771 7.917 1.00 0.00 H new ATOM 0 HA GLN A 373 -0.023 4.057 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.809 1.470 8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.911 2.648 7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 373 1.215 2.827 10.490 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.341 1.594 9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.856 2.734 8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 373 4.715 4.145 8.660 1.00 0.00 H new ATOM 187 N LEU A 374 0.216 3.926 5.868 1.00 0.00 N ATOM 188 CA LEU A 374 0.446 4.737 4.679 1.00 0.00 C ATOM 189 C LEU A 374 -0.521 5.913 4.627 1.00 0.00 C ATOM 190 O LEU A 374 -0.135 7.033 4.296 1.00 0.00 O ATOM 191 CB LEU A 374 0.301 3.885 3.417 1.00 0.00 C ATOM 192 CG LEU A 374 1.569 3.153 2.983 1.00 0.00 C ATOM 193 CD1 LEU A 374 1.223 1.821 2.334 1.00 0.00 C ATOM 194 CD2 LEU A 374 2.382 4.017 2.031 1.00 0.00 C ATOM 0 H LEU A 374 -0.023 2.953 5.675 1.00 0.00 H new ATOM 0 HA LEU A 374 1.462 5.128 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -0.487 3.150 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -0.028 4.527 2.600 1.00 0.00 H new ATOM 0 HG LEU A 374 2.172 2.955 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 374 2.140 1.315 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 374 0.683 1.198 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 374 0.598 1.995 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 374 3.282 3.480 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 374 1.785 4.246 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 374 2.662 4.945 2.530 1.00 0.00 H new ATOM 206 N TYR A 375 -1.777 5.651 4.957 1.00 0.00 N ATOM 207 CA TYR A 375 -2.799 6.690 4.947 1.00 0.00 C ATOM 208 C TYR A 375 -2.576 7.679 6.085 1.00 0.00 C ATOM 209 O TYR A 375 -2.926 8.854 5.978 1.00 0.00 O ATOM 210 CB TYR A 375 -4.192 6.069 5.058 1.00 0.00 C ATOM 211 CG TYR A 375 -5.213 6.700 4.139 1.00 0.00 C ATOM 212 CD1 TYR A 375 -4.993 6.772 2.770 1.00 0.00 C ATOM 213 CD2 TYR A 375 -6.399 7.223 4.642 1.00 0.00 C ATOM 214 CE1 TYR A 375 -5.924 7.348 1.927 1.00 0.00 C ATOM 215 CE2 TYR A 375 -7.334 7.800 3.805 1.00 0.00 C ATOM 216 CZ TYR A 375 -7.092 7.861 2.449 1.00 0.00 C ATOM 217 OH TYR A 375 -8.022 8.435 1.612 1.00 0.00 O ATOM 0 H TYR A 375 -2.114 4.729 5.235 1.00 0.00 H new ATOM 0 HA TYR A 375 -2.726 7.228 4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -4.124 5.004 4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -4.539 6.158 6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.079 6.371 2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -6.592 7.177 5.704 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -5.737 7.396 0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -8.251 8.202 4.211 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.788 8.746 2.138 1.00 0.00 H new ATOM 227 N SER A 376 -1.987 7.196 7.174 1.00 0.00 N ATOM 228 CA SER A 376 -1.715 8.039 8.330 1.00 0.00 C ATOM 229 C SER A 376 -0.337 8.693 8.228 1.00 0.00 C ATOM 230 O SER A 376 0.043 9.488 9.088 1.00 0.00 O ATOM 231 CB SER A 376 -1.805 7.217 9.617 1.00 0.00 C ATOM 232 OG SER A 376 -3.142 7.147 10.084 1.00 0.00 O ATOM 0 H SER A 376 -1.690 6.226 7.279 1.00 0.00 H new ATOM 0 HA SER A 376 -2.467 8.828 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 376 -1.426 6.211 9.437 1.00 0.00 H new ATOM 0 HB3 SER A 376 -1.172 7.664 10.383 1.00 0.00 H new ATOM 0 HG SER A 376 -3.174 6.615 10.906 1.00 0.00 H new ATOM 238 N LEU A 377 0.413 8.354 7.179 1.00 0.00 N ATOM 239 CA LEU A 377 1.744 8.915 6.987 1.00 0.00 C ATOM 240 C LEU A 377 1.836 9.725 5.697 1.00 0.00 C ATOM 241 O LEU A 377 2.634 10.657 5.603 1.00 0.00 O ATOM 242 CB LEU A 377 2.795 7.802 6.979 1.00 0.00 C ATOM 243 CG LEU A 377 3.594 7.658 8.274 1.00 0.00 C ATOM 244 CD1 LEU A 377 2.693 7.192 9.407 1.00 0.00 C ATOM 245 CD2 LEU A 377 4.754 6.692 8.079 1.00 0.00 C ATOM 0 H LEU A 377 0.121 7.697 6.455 1.00 0.00 H new ATOM 0 HA LEU A 377 1.937 9.590 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 377 2.298 6.855 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 377 3.490 7.985 6.160 1.00 0.00 H new ATOM 0 HG LEU A 377 4.001 8.634 8.539 1.00 0.00 H new ATOM 0 HD11 LEU A 377 3.279 7.095 10.321 1.00 0.00 H new ATOM 0 HD12 LEU A 377 1.897 7.920 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 377 2.257 6.226 9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.312 6.601 9.011 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.369 5.714 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.413 7.068 7.296 1.00 0.00 H new ATOM 257 N ILE A 378 1.033 9.367 4.696 1.00 0.00 N ATOM 258 CA ILE A 378 1.066 10.078 3.424 1.00 0.00 C ATOM 259 C ILE A 378 -0.334 10.373 2.885 1.00 0.00 C ATOM 260 O ILE A 378 -0.548 11.391 2.226 1.00 0.00 O ATOM 261 CB ILE A 378 1.872 9.295 2.364 1.00 0.00 C ATOM 262 CG1 ILE A 378 1.173 7.983 1.995 1.00 0.00 C ATOM 263 CG2 ILE A 378 3.278 9.017 2.877 1.00 0.00 C ATOM 264 CD1 ILE A 378 1.595 7.437 0.648 1.00 0.00 C ATOM 0 H ILE A 378 0.362 8.600 4.741 1.00 0.00 H new ATOM 0 HA ILE A 378 1.560 11.029 3.621 1.00 0.00 H new ATOM 0 HB ILE A 378 1.935 9.907 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 378 1.384 7.239 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 378 0.095 8.142 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 378 3.838 8.465 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 378 3.783 9.961 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 378 3.222 8.426 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 378 1.062 6.507 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 378 1.359 8.164 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 378 2.668 7.246 0.653 1.00 0.00 H new ATOM 276 N GLY A 379 -1.283 9.484 3.160 1.00 0.00 N ATOM 277 CA GLY A 379 -2.639 9.683 2.684 1.00 0.00 C ATOM 278 C GLY A 379 -3.323 10.867 3.339 1.00 0.00 C ATOM 279 O GLY A 379 -3.819 10.761 4.461 1.00 0.00 O ATOM 0 H GLY A 379 -1.138 8.632 3.702 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.622 9.830 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -3.222 8.782 2.874 1.00 0.00 H new ATOM 283 N TYR A 380 -3.355 11.998 2.638 1.00 0.00 N ATOM 284 CA TYR A 380 -3.991 13.201 3.164 1.00 0.00 C ATOM 285 C TYR A 380 -5.359 13.420 2.524 1.00 0.00 C ATOM 286 O TYR A 380 -6.308 13.827 3.193 1.00 0.00 O ATOM 287 CB TYR A 380 -3.108 14.438 2.948 1.00 0.00 C ATOM 288 CG TYR A 380 -2.219 14.369 1.724 1.00 0.00 C ATOM 289 CD1 TYR A 380 -2.753 14.446 0.444 1.00 0.00 C ATOM 290 CD2 TYR A 380 -0.843 14.232 1.853 1.00 0.00 C ATOM 291 CE1 TYR A 380 -1.940 14.388 -0.672 1.00 0.00 C ATOM 292 CE2 TYR A 380 -0.024 14.173 0.743 1.00 0.00 C ATOM 293 CZ TYR A 380 -0.577 14.251 -0.517 1.00 0.00 C ATOM 294 OH TYR A 380 0.237 14.194 -1.626 1.00 0.00 O ATOM 0 H TYR A 380 -2.949 12.106 1.708 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.125 13.056 4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -3.748 15.316 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.482 14.580 3.829 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -3.820 14.553 0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -0.406 14.171 2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -2.370 14.450 -1.661 1.00 0.00 H new ATOM 0 HE2 TYR A 380 1.044 14.066 0.861 1.00 0.00 H new ATOM 0 HH TYR A 380 1.002 13.610 -1.441 1.00 0.00 H new ATOM 304 N ALA A 381 -5.454 13.149 1.225 1.00 0.00 N ATOM 305 CA ALA A 381 -6.709 13.317 0.497 1.00 0.00 C ATOM 306 C ALA A 381 -6.514 13.082 -0.997 1.00 0.00 C ATOM 307 O ALA A 381 -7.026 12.111 -1.555 1.00 0.00 O ATOM 308 CB ALA A 381 -7.285 14.706 0.740 1.00 0.00 C ATOM 0 H ALA A 381 -4.678 12.812 0.655 1.00 0.00 H new ATOM 0 HA ALA A 381 -7.414 12.573 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -8.220 14.814 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -7.473 14.841 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -6.575 15.459 0.399 1.00 0.00 H new ATOM 314 N SER A 382 -5.773 13.979 -1.641 1.00 0.00 N ATOM 315 CA SER A 382 -5.511 13.871 -3.073 1.00 0.00 C ATOM 316 C SER A 382 -4.902 12.516 -3.418 1.00 0.00 C ATOM 317 O SER A 382 -5.114 11.988 -4.509 1.00 0.00 O ATOM 318 CB SER A 382 -4.576 14.994 -3.527 1.00 0.00 C ATOM 319 OG SER A 382 -4.816 16.184 -2.797 1.00 0.00 O ATOM 0 H SER A 382 -5.343 14.789 -1.194 1.00 0.00 H new ATOM 0 HA SER A 382 -6.462 13.963 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 382 -3.539 14.685 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 382 -4.718 15.182 -4.591 1.00 0.00 H new ATOM 0 HG SER A 382 -4.205 16.885 -3.105 1.00 0.00 H new ATOM 325 N LEU A 383 -4.144 11.958 -2.480 1.00 0.00 N ATOM 326 CA LEU A 383 -3.505 10.664 -2.683 1.00 0.00 C ATOM 327 C LEU A 383 -4.447 9.528 -2.301 1.00 0.00 C ATOM 328 O LEU A 383 -4.393 9.011 -1.185 1.00 0.00 O ATOM 329 CB LEU A 383 -2.217 10.572 -1.863 1.00 0.00 C ATOM 330 CG LEU A 383 -1.164 9.612 -2.420 1.00 0.00 C ATOM 331 CD1 LEU A 383 -0.398 10.262 -3.560 1.00 0.00 C ATOM 332 CD2 LEU A 383 -0.213 9.170 -1.318 1.00 0.00 C ATOM 0 H LEU A 383 -3.957 12.382 -1.571 1.00 0.00 H new ATOM 0 HA LEU A 383 -3.260 10.570 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -1.778 11.567 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.471 10.261 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.672 8.730 -2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.346 9.564 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -1.091 10.528 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 383 0.101 11.161 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.530 8.487 -1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 383 0.289 10.042 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -0.775 8.663 -0.534 1.00 0.00 H new ATOM 344 N ARG A 384 -5.311 9.145 -3.235 1.00 0.00 N ATOM 345 CA ARG A 384 -6.267 8.070 -2.998 1.00 0.00 C ATOM 346 C ARG A 384 -5.557 6.723 -2.890 1.00 0.00 C ATOM 347 O ARG A 384 -5.511 5.955 -3.849 1.00 0.00 O ATOM 348 CB ARG A 384 -7.308 8.029 -4.121 1.00 0.00 C ATOM 349 CG ARG A 384 -8.726 8.312 -3.646 1.00 0.00 C ATOM 350 CD ARG A 384 -9.630 7.100 -3.820 1.00 0.00 C ATOM 351 NE ARG A 384 -9.926 6.450 -2.545 1.00 0.00 N ATOM 352 CZ ARG A 384 -10.839 6.891 -1.683 1.00 0.00 C ATOM 353 NH1 ARG A 384 -11.546 7.981 -1.952 1.00 0.00 N ATOM 354 NH2 ARG A 384 -11.047 6.237 -0.547 1.00 0.00 N ATOM 0 H ARG A 384 -5.369 9.563 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 384 -6.773 8.267 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 384 -7.037 8.759 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 384 -7.281 7.048 -4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -8.707 8.604 -2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 384 -9.135 9.154 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 384 -10.562 7.408 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 384 -9.152 6.385 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 384 -9.402 5.609 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -11.391 8.487 -2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -12.244 8.313 -1.287 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -10.507 5.398 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -11.746 6.574 0.115 1.00 0.00 H new ATOM 366 N LEU A 385 -5.003 6.445 -1.715 1.00 0.00 N ATOM 367 CA LEU A 385 -4.297 5.190 -1.483 1.00 0.00 C ATOM 368 C LEU A 385 -5.239 4.002 -1.658 1.00 0.00 C ATOM 369 O LEU A 385 -6.083 3.736 -0.803 1.00 0.00 O ATOM 370 CB LEU A 385 -3.682 5.174 -0.080 1.00 0.00 C ATOM 371 CG LEU A 385 -3.104 3.825 0.364 1.00 0.00 C ATOM 372 CD1 LEU A 385 -1.669 3.987 0.840 1.00 0.00 C ATOM 373 CD2 LEU A 385 -3.965 3.206 1.457 1.00 0.00 C ATOM 0 H LEU A 385 -5.029 7.070 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.496 5.108 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -2.890 5.922 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -4.444 5.478 0.637 1.00 0.00 H new ATOM 0 HG LEU A 385 -3.106 3.153 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -1.277 3.018 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.059 4.382 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.641 4.677 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.538 2.249 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -3.999 3.875 2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -4.975 3.050 1.079 1.00 0.00 H new ATOM 385 N HIS A 386 -5.084 3.289 -2.769 1.00 0.00 N ATOM 386 CA HIS A 386 -5.915 2.128 -3.053 1.00 0.00 C ATOM 387 C HIS A 386 -5.073 0.994 -3.626 1.00 0.00 C ATOM 388 O HIS A 386 -4.229 1.213 -4.495 1.00 0.00 O ATOM 389 CB HIS A 386 -7.040 2.497 -4.026 1.00 0.00 C ATOM 390 CG HIS A 386 -6.557 2.872 -5.393 1.00 0.00 C ATOM 391 ND1 HIS A 386 -6.154 1.945 -6.330 1.00 0.00 N ATOM 392 CD2 HIS A 386 -6.420 4.083 -5.983 1.00 0.00 C ATOM 393 CE1 HIS A 386 -5.789 2.569 -7.436 1.00 0.00 C ATOM 394 NE2 HIS A 386 -5.942 3.867 -7.251 1.00 0.00 N ATOM 0 H HIS A 386 -4.390 3.496 -3.487 1.00 0.00 H new ATOM 0 HA HIS A 386 -6.361 1.790 -2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 386 -7.725 1.654 -4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 386 -7.609 3.329 -3.611 1.00 0.00 H new ATOM 0 HD2 HIS A 386 -6.645 5.041 -5.538 1.00 0.00 H new ATOM 0 HE1 HIS A 386 -5.427 2.097 -8.338 1.00 0.00 H new ATOM 0 HE2 HIS A 386 -5.738 4.592 -7.939 1.00 0.00 H new ATOM 403 N TYR A 387 -5.300 -0.216 -3.128 1.00 0.00 N ATOM 404 CA TYR A 387 -4.552 -1.378 -3.583 1.00 0.00 C ATOM 405 C TYR A 387 -5.304 -2.136 -4.669 1.00 0.00 C ATOM 406 O TYR A 387 -6.495 -2.417 -4.538 1.00 0.00 O ATOM 407 CB TYR A 387 -4.251 -2.305 -2.407 1.00 0.00 C ATOM 408 CG TYR A 387 -3.167 -1.774 -1.501 1.00 0.00 C ATOM 409 CD1 TYR A 387 -3.312 -0.547 -0.866 1.00 0.00 C ATOM 410 CD2 TYR A 387 -2.000 -2.491 -1.288 1.00 0.00 C ATOM 411 CE1 TYR A 387 -2.322 -0.051 -0.041 1.00 0.00 C ATOM 412 CE2 TYR A 387 -1.004 -2.003 -0.466 1.00 0.00 C ATOM 413 CZ TYR A 387 -1.169 -0.782 0.156 1.00 0.00 C ATOM 414 OH TYR A 387 -0.179 -0.290 0.974 1.00 0.00 O ATOM 0 H TYR A 387 -5.996 -0.416 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 387 -3.614 -1.024 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -5.161 -2.454 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -3.952 -3.282 -2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -4.213 0.028 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -1.868 -3.447 -1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.450 0.904 0.447 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -0.100 -2.574 -0.310 1.00 0.00 H new ATOM 0 HH TYR A 387 -0.579 0.064 1.796 1.00 0.00 H new ATOM 424 N VAL A 388 -4.594 -2.461 -5.744 1.00 0.00 N ATOM 425 CA VAL A 388 -5.178 -3.183 -6.860 1.00 0.00 C ATOM 426 C VAL A 388 -4.409 -4.472 -7.140 1.00 0.00 C ATOM 427 O VAL A 388 -3.263 -4.436 -7.590 1.00 0.00 O ATOM 428 CB VAL A 388 -5.191 -2.313 -8.131 1.00 0.00 C ATOM 429 CG1 VAL A 388 -5.788 -3.074 -9.306 1.00 0.00 C ATOM 430 CG2 VAL A 388 -5.951 -1.019 -7.883 1.00 0.00 C ATOM 0 H VAL A 388 -3.607 -2.232 -5.863 1.00 0.00 H new ATOM 0 HA VAL A 388 -6.203 -3.432 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 388 -4.160 -2.063 -8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 388 -5.786 -2.437 -10.191 1.00 0.00 H new ATOM 0 HG12 VAL A 388 -5.195 -3.967 -9.500 1.00 0.00 H new ATOM 0 HG13 VAL A 388 -6.812 -3.363 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 388 -5.950 -0.417 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 388 -6.979 -1.249 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 388 -5.470 -0.463 -7.079 1.00 0.00 H new ATOM 440 N THR A 389 -5.045 -5.608 -6.872 1.00 0.00 N ATOM 441 CA THR A 389 -4.415 -6.904 -7.099 1.00 0.00 C ATOM 442 C THR A 389 -4.402 -7.241 -8.587 1.00 0.00 C ATOM 443 O THR A 389 -5.348 -6.926 -9.309 1.00 0.00 O ATOM 444 CB THR A 389 -5.143 -7.998 -6.317 1.00 0.00 C ATOM 445 OG1 THR A 389 -6.314 -8.410 -6.999 1.00 0.00 O ATOM 446 CG2 THR A 389 -5.550 -7.566 -4.924 1.00 0.00 C ATOM 0 H THR A 389 -5.993 -5.658 -6.499 1.00 0.00 H new ATOM 0 HA THR A 389 -3.385 -6.849 -6.746 1.00 0.00 H new ATOM 0 HB THR A 389 -4.428 -8.817 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A 389 -6.764 -9.111 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 389 -6.062 -8.388 -4.423 1.00 0.00 H new ATOM 0 HG22 THR A 389 -4.662 -7.290 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 389 -6.219 -6.708 -4.990 1.00 0.00 H new ATOM 594 N ASN A 399 0.577 -16.248 -7.468 1.00 0.00 N ATOM 595 CA ASN A 399 0.866 -15.555 -6.218 1.00 0.00 C ATOM 596 C ASN A 399 -0.065 -14.359 -6.044 1.00 0.00 C ATOM 597 O ASN A 399 -0.572 -13.809 -7.022 1.00 0.00 O ATOM 598 CB ASN A 399 2.324 -15.088 -6.191 1.00 0.00 C ATOM 599 CG ASN A 399 3.127 -15.741 -5.080 1.00 0.00 C ATOM 600 OD1 ASN A 399 3.961 -15.102 -4.442 1.00 0.00 O ATOM 601 ND2 ASN A 399 2.881 -17.024 -4.846 1.00 0.00 N ATOM 0 HA ASN A 399 0.703 -16.251 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 399 2.791 -15.311 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 399 2.352 -14.006 -6.067 1.00 0.00 H new ATOM 0 HD21 ASN A 399 3.393 -17.516 -4.114 1.00 0.00 H new ATOM 0 HD22 ASN A 399 2.180 -17.518 -5.399 1.00 0.00 H new ATOM 608 N SER A 400 -0.276 -13.952 -4.798 1.00 0.00 N ATOM 609 CA SER A 400 -1.135 -12.814 -4.509 1.00 0.00 C ATOM 610 C SER A 400 -0.368 -11.521 -4.733 1.00 0.00 C ATOM 611 O SER A 400 0.285 -11.008 -3.824 1.00 0.00 O ATOM 612 CB SER A 400 -1.654 -12.880 -3.071 1.00 0.00 C ATOM 613 OG SER A 400 -2.107 -14.184 -2.753 1.00 0.00 O ATOM 0 H SER A 400 0.135 -14.392 -3.975 1.00 0.00 H new ATOM 0 HA SER A 400 -1.992 -12.843 -5.182 1.00 0.00 H new ATOM 0 HB2 SER A 400 -0.862 -12.588 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 400 -2.468 -12.167 -2.942 1.00 0.00 H new ATOM 0 HG SER A 400 -3.059 -14.263 -2.973 1.00 0.00 H new ATOM 619 N ILE A 401 -0.435 -11.008 -5.954 1.00 0.00 N ATOM 620 CA ILE A 401 0.270 -9.787 -6.303 1.00 0.00 C ATOM 621 C ILE A 401 -0.634 -8.567 -6.149 1.00 0.00 C ATOM 622 O ILE A 401 -1.742 -8.527 -6.684 1.00 0.00 O ATOM 623 CB ILE A 401 0.832 -9.866 -7.747 1.00 0.00 C ATOM 624 CG1 ILE A 401 2.320 -9.520 -7.757 1.00 0.00 C ATOM 625 CG2 ILE A 401 0.066 -8.957 -8.703 1.00 0.00 C ATOM 626 CD1 ILE A 401 2.608 -8.078 -7.396 1.00 0.00 C ATOM 0 H ILE A 401 -0.971 -11.420 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 401 1.107 -9.679 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 401 0.703 -10.891 -8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 401 2.841 -10.173 -7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 401 2.726 -9.726 -8.747 1.00 0.00 H new ATOM 0 HG21 ILE A 401 0.490 -9.041 -9.704 1.00 0.00 H new ATOM 0 HG22 ILE A 401 -0.982 -9.255 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 401 0.142 -7.924 -8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 401 3.684 -7.904 -7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 401 2.115 -7.419 -8.111 1.00 0.00 H new ATOM 0 HD13 ILE A 401 2.232 -7.872 -6.394 1.00 0.00 H new ATOM 638 N VAL A 402 -0.147 -7.571 -5.419 1.00 0.00 N ATOM 639 CA VAL A 402 -0.899 -6.348 -5.197 1.00 0.00 C ATOM 640 C VAL A 402 -0.001 -5.127 -5.349 1.00 0.00 C ATOM 641 O VAL A 402 1.178 -5.165 -4.997 1.00 0.00 O ATOM 642 CB VAL A 402 -1.554 -6.333 -3.803 1.00 0.00 C ATOM 643 CG1 VAL A 402 -2.412 -5.091 -3.624 1.00 0.00 C ATOM 644 CG2 VAL A 402 -2.378 -7.595 -3.591 1.00 0.00 C ATOM 0 H VAL A 402 0.769 -7.589 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.686 -6.313 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 402 -0.765 -6.308 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 402 -2.865 -5.101 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 402 -1.791 -4.201 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -3.196 -5.078 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 402 -2.834 -7.570 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 402 -3.159 -7.651 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 402 -1.732 -8.469 -3.670 1.00 0.00 H new ATOM 654 N GLU A 403 -0.561 -4.050 -5.883 1.00 0.00 N ATOM 655 CA GLU A 403 0.193 -2.823 -6.090 1.00 0.00 C ATOM 656 C GLU A 403 -0.583 -1.609 -5.597 1.00 0.00 C ATOM 657 O GLU A 403 -1.649 -1.284 -6.121 1.00 0.00 O ATOM 658 CB GLU A 403 0.536 -2.656 -7.572 1.00 0.00 C ATOM 659 CG GLU A 403 1.427 -3.759 -8.119 1.00 0.00 C ATOM 660 CD GLU A 403 0.952 -4.282 -9.460 1.00 0.00 C ATOM 661 OE1 GLU A 403 0.180 -3.569 -10.135 1.00 0.00 O ATOM 662 OE2 GLU A 403 1.354 -5.403 -9.838 1.00 0.00 O ATOM 0 H GLU A 403 -1.535 -4.002 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 403 1.115 -2.895 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 403 -0.388 -2.627 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 403 1.031 -1.696 -7.716 1.00 0.00 H new ATOM 0 HG2 GLU A 403 2.445 -3.382 -8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 403 1.461 -4.581 -7.404 1.00 0.00 H new ATOM 669 N CYS A 404 -0.037 -0.938 -4.590 1.00 0.00 N ATOM 670 CA CYS A 404 -0.673 0.246 -4.026 1.00 0.00 C ATOM 671 C CYS A 404 -0.541 1.429 -4.977 1.00 0.00 C ATOM 672 O CYS A 404 0.548 1.970 -5.158 1.00 0.00 O ATOM 673 CB CYS A 404 -0.044 0.593 -2.676 1.00 0.00 C ATOM 674 SG CYS A 404 -0.780 2.032 -1.866 1.00 0.00 S ATOM 0 H CYS A 404 0.845 -1.194 -4.147 1.00 0.00 H new ATOM 0 HA CYS A 404 -1.731 0.030 -3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -0.133 -0.268 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.021 0.776 -2.820 1.00 0.00 H new ATOM 0 HG CYS A 404 -1.697 1.639 -1.033 1.00 0.00 H new ATOM 680 N ARG A 405 -1.656 1.825 -5.581 1.00 0.00 N ATOM 681 CA ARG A 405 -1.659 2.943 -6.512 1.00 0.00 C ATOM 682 C ARG A 405 -2.412 4.130 -5.929 1.00 0.00 C ATOM 683 O ARG A 405 -3.450 3.967 -5.288 1.00 0.00 O ATOM 684 CB ARG A 405 -2.287 2.529 -7.843 1.00 0.00 C ATOM 685 CG ARG A 405 -1.654 1.288 -8.455 1.00 0.00 C ATOM 686 CD ARG A 405 -1.057 1.578 -9.824 1.00 0.00 C ATOM 687 NE ARG A 405 -1.908 1.089 -10.906 1.00 0.00 N ATOM 688 CZ ARG A 405 -1.787 1.472 -12.175 1.00 0.00 C ATOM 689 NH1 ARG A 405 -0.855 2.349 -12.524 1.00 0.00 N ATOM 690 NH2 ARG A 405 -2.602 0.977 -13.096 1.00 0.00 N ATOM 0 H ARG A 405 -2.567 1.388 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 405 -0.625 3.240 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -3.351 2.347 -7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -2.202 3.356 -8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -0.876 0.911 -7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -2.405 0.503 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -0.910 2.652 -9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -0.074 1.113 -9.897 1.00 0.00 H new ATOM 0 HE ARG A 405 -2.638 0.415 -10.676 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -0.227 2.733 -11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -0.767 2.639 -13.498 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -3.321 0.303 -12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -2.510 1.270 -14.069 1.00 0.00 H new ATOM 702 N VAL A 406 -1.882 5.325 -6.152 1.00 0.00 N ATOM 703 CA VAL A 406 -2.505 6.540 -5.646 1.00 0.00 C ATOM 704 C VAL A 406 -3.553 7.070 -6.620 1.00 0.00 C ATOM 705 O VAL A 406 -3.678 6.579 -7.742 1.00 0.00 O ATOM 706 CB VAL A 406 -1.459 7.639 -5.376 1.00 0.00 C ATOM 707 CG1 VAL A 406 -0.451 7.172 -4.338 1.00 0.00 C ATOM 708 CG2 VAL A 406 -0.756 8.042 -6.664 1.00 0.00 C ATOM 0 H VAL A 406 -1.023 5.479 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 406 -2.991 6.278 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 406 -1.976 8.514 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 406 0.280 7.961 -4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -0.968 6.940 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 406 0.059 6.280 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 406 -0.022 8.819 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 406 -0.252 7.174 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -1.489 8.422 -7.375 1.00 0.00 H new ATOM 744 N THR A 410 -0.059 6.465 -9.659 1.00 0.00 N ATOM 745 CA THR A 410 1.341 6.107 -9.476 1.00 0.00 C ATOM 746 C THR A 410 1.505 5.124 -8.320 1.00 0.00 C ATOM 747 O THR A 410 1.193 5.442 -7.173 1.00 0.00 O ATOM 748 CB THR A 410 2.179 7.360 -9.218 1.00 0.00 C ATOM 749 OG1 THR A 410 2.055 8.276 -10.293 1.00 0.00 O ATOM 750 CG2 THR A 410 3.653 7.069 -9.033 1.00 0.00 C ATOM 0 HA THR A 410 1.690 5.626 -10.390 1.00 0.00 H new ATOM 0 HB THR A 410 1.789 7.781 -8.291 1.00 0.00 H new ATOM 0 HG1 THR A 410 1.188 8.150 -10.732 1.00 0.00 H new ATOM 0 HG21 THR A 410 4.188 8.001 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 410 3.788 6.403 -8.180 1.00 0.00 H new ATOM 0 HG23 THR A 410 4.045 6.592 -9.931 1.00 0.00 H new ATOM 758 N VAL A 411 1.997 3.930 -8.632 1.00 0.00 N ATOM 759 CA VAL A 411 2.206 2.902 -7.620 1.00 0.00 C ATOM 760 C VAL A 411 3.310 3.305 -6.651 1.00 0.00 C ATOM 761 O VAL A 411 4.460 3.500 -7.047 1.00 0.00 O ATOM 762 CB VAL A 411 2.561 1.547 -8.263 1.00 0.00 C ATOM 763 CG1 VAL A 411 3.855 1.650 -9.056 1.00 0.00 C ATOM 764 CG2 VAL A 411 2.661 0.460 -7.204 1.00 0.00 C ATOM 0 H VAL A 411 2.258 3.651 -9.578 1.00 0.00 H new ATOM 0 HA VAL A 411 1.270 2.797 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 411 1.762 1.277 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 411 4.087 0.682 -9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 411 3.740 2.394 -9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 411 4.666 1.947 -8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 411 2.912 -0.488 -7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 411 3.437 0.723 -6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 411 1.705 0.366 -6.688 1.00 0.00 H new ATOM 774 N LEU A 412 2.951 3.432 -5.380 1.00 0.00 N ATOM 775 CA LEU A 412 3.906 3.817 -4.350 1.00 0.00 C ATOM 776 C LEU A 412 4.442 2.597 -3.607 1.00 0.00 C ATOM 777 O LEU A 412 5.504 2.656 -2.987 1.00 0.00 O ATOM 778 CB LEU A 412 3.252 4.779 -3.359 1.00 0.00 C ATOM 779 CG LEU A 412 4.172 5.874 -2.815 1.00 0.00 C ATOM 780 CD1 LEU A 412 4.140 7.095 -3.720 1.00 0.00 C ATOM 781 CD2 LEU A 412 3.770 6.249 -1.397 1.00 0.00 C ATOM 0 H LEU A 412 2.003 3.274 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 412 4.744 4.314 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.398 5.251 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 412 2.863 4.203 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 412 5.192 5.490 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 412 4.800 7.864 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 412 4.475 6.816 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 412 3.122 7.482 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 412 4.434 7.029 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 412 2.743 6.615 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 412 3.844 5.372 -0.754 1.00 0.00 H new ATOM 793 N GLY A 413 3.702 1.492 -3.665 1.00 0.00 N ATOM 794 CA GLY A 413 4.132 0.284 -2.982 1.00 0.00 C ATOM 795 C GLY A 413 3.582 -0.984 -3.608 1.00 0.00 C ATOM 796 O GLY A 413 2.369 -1.178 -3.672 1.00 0.00 O ATOM 0 H GLY A 413 2.819 1.412 -4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 413 5.221 0.240 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 413 3.818 0.333 -1.939 1.00 0.00 H new ATOM 800 N THR A 414 4.482 -1.852 -4.063 1.00 0.00 N ATOM 801 CA THR A 414 4.092 -3.112 -4.681 1.00 0.00 C ATOM 802 C THR A 414 4.685 -4.290 -3.910 1.00 0.00 C ATOM 803 O THR A 414 5.808 -4.212 -3.411 1.00 0.00 O ATOM 804 CB THR A 414 4.559 -3.144 -6.136 1.00 0.00 C ATOM 805 OG1 THR A 414 3.872 -2.172 -6.902 1.00 0.00 O ATOM 806 CG2 THR A 414 4.357 -4.486 -6.810 1.00 0.00 C ATOM 0 H THR A 414 5.490 -1.703 -4.014 1.00 0.00 H new ATOM 0 HA THR A 414 3.005 -3.194 -4.655 1.00 0.00 H new ATOM 0 HB THR A 414 5.629 -2.938 -6.097 1.00 0.00 H new ATOM 0 HG1 THR A 414 4.381 -1.978 -7.717 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.711 -4.433 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 414 4.917 -5.251 -6.272 1.00 0.00 H new ATOM 0 HG23 THR A 414 3.297 -4.740 -6.804 1.00 0.00 H new ATOM 814 N GLY A 415 3.927 -5.379 -3.814 1.00 0.00 N ATOM 815 CA GLY A 415 4.407 -6.547 -3.098 1.00 0.00 C ATOM 816 C GLY A 415 3.555 -7.780 -3.334 1.00 0.00 C ATOM 817 O GLY A 415 2.340 -7.684 -3.504 1.00 0.00 O ATOM 0 H GLY A 415 2.995 -5.473 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 415 5.432 -6.757 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 415 4.430 -6.327 -2.031 1.00 0.00 H new ATOM 821 N VAL A 416 4.200 -8.943 -3.339 1.00 0.00 N ATOM 822 CA VAL A 416 3.512 -10.209 -3.549 1.00 0.00 C ATOM 823 C VAL A 416 3.177 -10.870 -2.218 1.00 0.00 C ATOM 824 O VAL A 416 3.744 -10.522 -1.182 1.00 0.00 O ATOM 825 CB VAL A 416 4.380 -11.170 -4.380 1.00 0.00 C ATOM 826 CG1 VAL A 416 3.622 -12.449 -4.701 1.00 0.00 C ATOM 827 CG2 VAL A 416 4.864 -10.490 -5.653 1.00 0.00 C ATOM 0 H VAL A 416 5.206 -9.033 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 416 2.589 -9.995 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 416 5.253 -11.440 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.258 -13.111 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 416 3.339 -12.947 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 416 2.725 -12.207 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.476 -11.186 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 416 4.006 -10.184 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.457 -9.613 -5.394 1.00 0.00 H new ATOM 837 N GLY A 417 2.256 -11.824 -2.251 1.00 0.00 N ATOM 838 CA GLY A 417 1.867 -12.517 -1.035 1.00 0.00 C ATOM 839 C GLY A 417 1.116 -13.804 -1.309 1.00 0.00 C ATOM 840 O GLY A 417 0.784 -14.108 -2.454 1.00 0.00 O ATOM 0 H GLY A 417 1.772 -12.131 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.758 -12.739 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.243 -11.859 -0.431 1.00 0.00 H new ATOM 844 N ARG A 418 0.844 -14.561 -0.250 1.00 0.00 N ATOM 845 CA ARG A 418 0.121 -15.822 -0.377 1.00 0.00 C ATOM 846 C ARG A 418 -1.375 -15.569 -0.525 1.00 0.00 C ATOM 847 O ARG A 418 -2.087 -16.341 -1.166 1.00 0.00 O ATOM 848 CB ARG A 418 0.382 -16.710 0.841 1.00 0.00 C ATOM 849 CG ARG A 418 1.823 -17.181 0.953 1.00 0.00 C ATOM 850 CD ARG A 418 2.190 -17.520 2.390 1.00 0.00 C ATOM 851 NE ARG A 418 2.784 -18.851 2.504 1.00 0.00 N ATOM 852 CZ ARG A 418 4.052 -19.125 2.203 1.00 0.00 C ATOM 853 NH1 ARG A 418 4.861 -18.168 1.768 1.00 0.00 N ATOM 854 NH2 ARG A 418 4.511 -20.362 2.337 1.00 0.00 N ATOM 0 H ARG A 418 1.113 -14.323 0.705 1.00 0.00 H new ATOM 0 HA ARG A 418 0.479 -16.333 -1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 418 0.117 -16.161 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -0.273 -17.580 0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.970 -18.058 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 418 2.491 -16.404 0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 418 2.891 -16.777 2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 418 1.298 -17.466 3.014 1.00 0.00 H new ATOM 0 HE ARG A 418 2.193 -19.614 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 418 4.513 -17.215 1.662 1.00 0.00 H new ATOM 0 HH12 ARG A 418 5.831 -18.385 1.539 1.00 0.00 H new ATOM 0 HH21 ARG A 418 3.893 -21.102 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 418 5.482 -20.573 2.107 1.00 0.00 H new ATOM 866 N ASN A 419 -1.842 -14.477 0.070 1.00 0.00 N ATOM 867 CA ASN A 419 -3.251 -14.110 0.008 1.00 0.00 C ATOM 868 C ASN A 419 -3.406 -12.604 -0.176 1.00 0.00 C ATOM 869 O ASN A 419 -2.440 -11.906 -0.486 1.00 0.00 O ATOM 870 CB ASN A 419 -3.974 -14.563 1.278 1.00 0.00 C ATOM 871 CG ASN A 419 -3.675 -16.008 1.632 1.00 0.00 C ATOM 872 OD1 ASN A 419 -4.530 -16.882 1.495 1.00 0.00 O ATOM 873 ND2 ASN A 419 -2.455 -16.265 2.090 1.00 0.00 N ATOM 0 H ASN A 419 -1.262 -13.828 0.603 1.00 0.00 H new ATOM 0 HA ASN A 419 -3.699 -14.611 -0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -3.681 -13.921 2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -5.049 -14.440 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -2.196 -17.218 2.344 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -1.777 -15.509 2.188 1.00 0.00 H new ATOM 880 N ILE A 420 -4.623 -12.105 0.018 1.00 0.00 N ATOM 881 CA ILE A 420 -4.893 -10.681 -0.127 1.00 0.00 C ATOM 882 C ILE A 420 -4.362 -9.898 1.070 1.00 0.00 C ATOM 883 O ILE A 420 -3.922 -8.758 0.932 1.00 0.00 O ATOM 884 CB ILE A 420 -6.401 -10.406 -0.280 1.00 0.00 C ATOM 885 CG1 ILE A 420 -6.996 -11.296 -1.371 1.00 0.00 C ATOM 886 CG2 ILE A 420 -6.645 -8.937 -0.597 1.00 0.00 C ATOM 887 CD1 ILE A 420 -7.575 -12.592 -0.845 1.00 0.00 C ATOM 0 H ILE A 420 -5.435 -12.665 0.275 1.00 0.00 H new ATOM 0 HA ILE A 420 -4.380 -10.352 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 420 -6.894 -10.640 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -7.777 -10.744 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -6.223 -11.524 -2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.715 -8.760 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.253 -8.320 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.142 -8.677 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -7.979 -13.173 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -6.792 -13.165 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -8.371 -12.373 -0.134 1.00 0.00 H new ATOM 899 N LYS A 421 -4.406 -10.521 2.243 1.00 0.00 N ATOM 900 CA LYS A 421 -3.928 -9.884 3.466 1.00 0.00 C ATOM 901 C LYS A 421 -2.409 -9.738 3.444 1.00 0.00 C ATOM 902 O LYS A 421 -1.869 -8.688 3.794 1.00 0.00 O ATOM 903 CB LYS A 421 -4.357 -10.696 4.689 1.00 0.00 C ATOM 904 CG LYS A 421 -4.076 -9.997 6.010 1.00 0.00 C ATOM 905 CD LYS A 421 -2.969 -10.691 6.787 1.00 0.00 C ATOM 906 CE LYS A 421 -3.531 -11.591 7.875 1.00 0.00 C ATOM 907 NZ LYS A 421 -2.704 -11.548 9.114 1.00 0.00 N ATOM 0 H LYS A 421 -4.767 -11.466 2.373 1.00 0.00 H new ATOM 0 HA LYS A 421 -4.370 -8.889 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -5.424 -10.908 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -3.840 -11.656 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -3.794 -8.961 5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -4.985 -9.976 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -2.359 -11.282 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -2.314 -9.944 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -4.551 -11.285 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -3.582 -12.616 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -3.121 -12.175 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -1.737 -11.864 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -2.676 -10.575 9.479 1.00 0.00 H new ATOM 921 N ILE A 422 -1.730 -10.799 3.029 1.00 0.00 N ATOM 922 CA ILE A 422 -0.274 -10.797 2.958 1.00 0.00 C ATOM 923 C ILE A 422 0.218 -9.813 1.904 1.00 0.00 C ATOM 924 O ILE A 422 0.957 -8.877 2.209 1.00 0.00 O ATOM 925 CB ILE A 422 0.277 -12.207 2.645 1.00 0.00 C ATOM 926 CG1 ILE A 422 0.034 -13.145 3.830 1.00 0.00 C ATOM 927 CG2 ILE A 422 1.763 -12.148 2.311 1.00 0.00 C ATOM 928 CD1 ILE A 422 -1.404 -13.597 3.960 1.00 0.00 C ATOM 0 H ILE A 422 -2.165 -11.674 2.736 1.00 0.00 H new ATOM 0 HA ILE A 422 0.095 -10.488 3.936 1.00 0.00 H new ATOM 0 HB ILE A 422 -0.251 -12.596 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 422 0.674 -14.021 3.726 1.00 0.00 H new ATOM 0 HG13 ILE A 422 0.332 -12.640 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 422 2.127 -13.152 2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 422 1.915 -11.511 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 422 2.311 -11.738 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -1.501 -14.259 4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -2.048 -12.728 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -1.701 -14.130 3.057 1.00 0.00 H new ATOM 940 N ALA A 423 -0.194 -10.035 0.662 1.00 0.00 N ATOM 941 CA ALA A 423 0.204 -9.170 -0.442 1.00 0.00 C ATOM 942 C ALA A 423 0.004 -7.702 -0.085 1.00 0.00 C ATOM 943 O ALA A 423 0.827 -6.852 -0.419 1.00 0.00 O ATOM 944 CB ALA A 423 -0.575 -9.523 -1.700 1.00 0.00 C ATOM 0 H ALA A 423 -0.804 -10.807 0.394 1.00 0.00 H new ATOM 0 HA ALA A 423 1.265 -9.330 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.266 -8.868 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.376 -10.560 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.642 -9.394 -1.516 1.00 0.00 H new ATOM 950 N GLY A 424 -1.091 -7.418 0.608 1.00 0.00 N ATOM 951 CA GLY A 424 -1.376 -6.057 1.015 1.00 0.00 C ATOM 952 C GLY A 424 -0.308 -5.509 1.938 1.00 0.00 C ATOM 953 O GLY A 424 0.139 -4.374 1.778 1.00 0.00 O ATOM 0 H GLY A 424 -1.787 -8.106 0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -1.453 -5.423 0.132 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.343 -6.023 1.518 1.00 0.00 H new ATOM 957 N ILE A 425 0.110 -6.326 2.902 1.00 0.00 N ATOM 958 CA ILE A 425 1.143 -5.923 3.847 1.00 0.00 C ATOM 959 C ILE A 425 2.482 -5.752 3.137 1.00 0.00 C ATOM 960 O ILE A 425 3.280 -4.886 3.495 1.00 0.00 O ATOM 961 CB ILE A 425 1.298 -6.953 4.987 1.00 0.00 C ATOM 962 CG1 ILE A 425 -0.003 -7.064 5.782 1.00 0.00 C ATOM 963 CG2 ILE A 425 2.449 -6.569 5.908 1.00 0.00 C ATOM 964 CD1 ILE A 425 -0.301 -8.467 6.264 1.00 0.00 C ATOM 0 H ILE A 425 -0.251 -7.269 3.047 1.00 0.00 H new ATOM 0 HA ILE A 425 0.835 -4.970 4.278 1.00 0.00 H new ATOM 0 HB ILE A 425 1.522 -7.923 4.544 1.00 0.00 H new ATOM 0 HG12 ILE A 425 0.049 -6.397 6.642 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -0.829 -6.719 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 425 2.540 -7.308 6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 425 3.376 -6.535 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 425 2.255 -5.589 6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -1.239 -8.469 6.820 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -0.385 -9.136 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 425 0.506 -8.808 6.912 1.00 0.00 H new ATOM 976 N ARG A 426 2.716 -6.583 2.127 1.00 0.00 N ATOM 977 CA ARG A 426 3.955 -6.522 1.362 1.00 0.00 C ATOM 978 C ARG A 426 4.006 -5.252 0.525 1.00 0.00 C ATOM 979 O ARG A 426 5.011 -4.541 0.515 1.00 0.00 O ATOM 980 CB ARG A 426 4.086 -7.750 0.461 1.00 0.00 C ATOM 981 CG ARG A 426 5.516 -8.247 0.313 1.00 0.00 C ATOM 982 CD ARG A 426 5.692 -9.642 0.895 1.00 0.00 C ATOM 983 NE ARG A 426 6.462 -9.624 2.137 1.00 0.00 N ATOM 984 CZ ARG A 426 6.472 -10.622 3.017 1.00 0.00 C ATOM 985 NH1 ARG A 426 5.755 -11.717 2.798 1.00 0.00 N ATOM 986 NH2 ARG A 426 7.202 -10.526 4.119 1.00 0.00 N ATOM 0 H ARG A 426 2.065 -7.305 1.820 1.00 0.00 H new ATOM 0 HA ARG A 426 4.789 -6.510 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 426 3.471 -8.554 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 426 3.690 -7.510 -0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 426 5.790 -8.256 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 426 6.195 -7.556 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 426 4.713 -10.083 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 426 6.194 -10.278 0.166 1.00 0.00 H new ATOM 0 HE ARG A 426 7.025 -8.798 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 426 5.192 -11.797 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 426 5.767 -12.479 3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 426 7.756 -9.687 4.292 1.00 0.00 H new ATOM 0 HH22 ARG A 426 7.210 -11.291 4.794 1.00 0.00 H new ATOM 998 N ALA A 427 2.912 -4.971 -0.169 1.00 0.00 N ATOM 999 CA ALA A 427 2.826 -3.780 -1.005 1.00 0.00 C ATOM 1000 C ALA A 427 2.955 -2.522 -0.159 1.00 0.00 C ATOM 1001 O ALA A 427 3.689 -1.597 -0.505 1.00 0.00 O ATOM 1002 CB ALA A 427 1.520 -3.770 -1.785 1.00 0.00 C ATOM 0 H ALA A 427 2.072 -5.550 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 427 3.651 -3.799 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.473 -2.874 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.470 -4.653 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.681 -3.775 -1.089 1.00 0.00 H new ATOM 1008 N ALA A 428 2.244 -2.501 0.962 1.00 0.00 N ATOM 1009 CA ALA A 428 2.287 -1.364 1.870 1.00 0.00 C ATOM 1010 C ALA A 428 3.673 -1.229 2.482 1.00 0.00 C ATOM 1011 O ALA A 428 4.209 -0.127 2.599 1.00 0.00 O ATOM 1012 CB ALA A 428 1.236 -1.514 2.959 1.00 0.00 C ATOM 0 H ALA A 428 1.631 -3.259 1.263 1.00 0.00 H new ATOM 0 HA ALA A 428 2.069 -0.459 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 428 1.282 -0.656 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 428 0.247 -1.568 2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.426 -2.426 3.524 1.00 0.00 H new ATOM 1018 N GLU A 429 4.254 -2.363 2.857 1.00 0.00 N ATOM 1019 CA GLU A 429 5.587 -2.376 3.442 1.00 0.00 C ATOM 1020 C GLU A 429 6.603 -1.852 2.438 1.00 0.00 C ATOM 1021 O GLU A 429 7.546 -1.148 2.799 1.00 0.00 O ATOM 1022 CB GLU A 429 5.962 -3.791 3.885 1.00 0.00 C ATOM 1023 CG GLU A 429 5.556 -4.103 5.315 1.00 0.00 C ATOM 1024 CD GLU A 429 5.742 -5.566 5.668 1.00 0.00 C ATOM 1025 OE1 GLU A 429 6.511 -6.254 4.964 1.00 0.00 O ATOM 1026 OE2 GLU A 429 5.119 -6.024 6.649 1.00 0.00 O ATOM 0 H GLU A 429 3.823 -3.283 2.766 1.00 0.00 H new ATOM 0 HA GLU A 429 5.590 -1.727 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 429 5.490 -4.510 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 429 7.039 -3.922 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 429 6.145 -3.491 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 429 4.511 -3.828 5.460 1.00 0.00 H new ATOM 1033 N ASN A 430 6.390 -2.185 1.169 1.00 0.00 N ATOM 1034 CA ASN A 430 7.273 -1.734 0.103 1.00 0.00 C ATOM 1035 C ASN A 430 7.215 -0.216 -0.008 1.00 0.00 C ATOM 1036 O ASN A 430 8.217 0.438 -0.298 1.00 0.00 O ATOM 1037 CB ASN A 430 6.872 -2.377 -1.229 1.00 0.00 C ATOM 1038 CG ASN A 430 7.945 -3.302 -1.770 1.00 0.00 C ATOM 1039 OD1 ASN A 430 8.500 -4.121 -1.038 1.00 0.00 O ATOM 1040 ND2 ASN A 430 8.241 -3.175 -3.057 1.00 0.00 N ATOM 0 H ASN A 430 5.613 -2.766 0.855 1.00 0.00 H new ATOM 0 HA ASN A 430 8.294 -2.035 0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 430 5.947 -2.937 -1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 430 6.668 -1.595 -1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 430 8.955 -3.770 -3.477 1.00 0.00 H new ATOM 0 HD22 ASN A 430 7.755 -2.482 -3.626 1.00 0.00 H new ATOM 1047 N ALA A 431 6.032 0.335 0.241 1.00 0.00 N ATOM 1048 CA ALA A 431 5.829 1.775 0.187 1.00 0.00 C ATOM 1049 C ALA A 431 6.436 2.452 1.412 1.00 0.00 C ATOM 1050 O ALA A 431 6.835 3.615 1.356 1.00 0.00 O ATOM 1051 CB ALA A 431 4.345 2.092 0.082 1.00 0.00 C ATOM 0 H ALA A 431 5.197 -0.198 0.483 1.00 0.00 H new ATOM 0 HA ALA A 431 6.332 2.163 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 431 4.206 3.172 0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 431 3.940 1.640 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 431 3.825 1.691 0.952 1.00 0.00 H new ATOM 1057 N LEU A 432 6.505 1.713 2.518 1.00 0.00 N ATOM 1058 CA LEU A 432 7.066 2.239 3.756 1.00 0.00 C ATOM 1059 C LEU A 432 8.588 2.304 3.675 1.00 0.00 C ATOM 1060 O LEU A 432 9.216 3.178 4.274 1.00 0.00 O ATOM 1061 CB LEU A 432 6.641 1.369 4.942 1.00 0.00 C ATOM 1062 CG LEU A 432 5.507 1.940 5.794 1.00 0.00 C ATOM 1063 CD1 LEU A 432 4.283 2.219 4.935 1.00 0.00 C ATOM 1064 CD2 LEU A 432 5.160 0.985 6.926 1.00 0.00 C ATOM 0 H LEU A 432 6.179 0.749 2.580 1.00 0.00 H new ATOM 0 HA LEU A 432 6.684 3.249 3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 432 6.335 0.393 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 432 7.508 1.206 5.582 1.00 0.00 H new ATOM 0 HG LEU A 432 5.842 2.882 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 432 3.486 2.625 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 432 4.540 2.940 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 432 3.945 1.292 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 432 4.351 1.407 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 432 4.844 0.028 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 432 6.036 0.835 7.557 1.00 0.00 H new ATOM 1076 N ARG A 433 9.176 1.369 2.934 1.00 0.00 N ATOM 1077 CA ARG A 433 10.625 1.316 2.775 1.00 0.00 C ATOM 1078 C ARG A 433 11.160 2.627 2.211 1.00 0.00 C ATOM 1079 O ARG A 433 12.215 3.109 2.623 1.00 0.00 O ATOM 1080 CB ARG A 433 11.018 0.156 1.859 1.00 0.00 C ATOM 1081 CG ARG A 433 11.185 -1.165 2.591 1.00 0.00 C ATOM 1082 CD ARG A 433 12.043 -2.137 1.798 1.00 0.00 C ATOM 1083 NE ARG A 433 11.237 -3.050 0.992 1.00 0.00 N ATOM 1084 CZ ARG A 433 11.693 -4.192 0.486 1.00 0.00 C ATOM 1085 NH1 ARG A 433 12.950 -4.565 0.698 1.00 0.00 N ATOM 1086 NH2 ARG A 433 10.893 -4.964 -0.236 1.00 0.00 N ATOM 0 H ARG A 433 8.670 0.638 2.434 1.00 0.00 H new ATOM 0 HA ARG A 433 11.066 1.158 3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 433 10.258 0.040 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 433 11.952 0.403 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 433 11.641 -0.987 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 433 10.206 -1.608 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 433 12.716 -1.578 1.148 1.00 0.00 H new ATOM 0 HD3 ARG A 433 12.666 -2.712 2.483 1.00 0.00 H new ATOM 0 HE ARG A 433 10.267 -2.797 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 433 13.571 -3.974 1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 433 13.294 -5.442 0.307 1.00 0.00 H new ATOM 0 HH21 ARG A 433 9.927 -4.682 -0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 433 11.243 -5.840 -0.624 1.00 0.00 H new ATOM 1098 N ASP A 434 10.423 3.199 1.266 1.00 0.00 N ATOM 1099 CA ASP A 434 10.819 4.458 0.644 1.00 0.00 C ATOM 1100 C ASP A 434 10.729 5.607 1.644 1.00 0.00 C ATOM 1101 O ASP A 434 9.830 6.444 1.564 1.00 0.00 O ATOM 1102 CB ASP A 434 9.938 4.749 -0.571 1.00 0.00 C ATOM 1103 CG ASP A 434 10.186 3.781 -1.711 1.00 0.00 C ATOM 1104 OD1 ASP A 434 11.356 3.636 -2.122 1.00 0.00 O ATOM 1105 OD2 ASP A 434 9.209 3.167 -2.192 1.00 0.00 O ATOM 0 H ASP A 434 9.548 2.811 0.913 1.00 0.00 H new ATOM 0 HA ASP A 434 11.855 4.366 0.316 1.00 0.00 H new ATOM 0 HB2 ASP A 434 8.890 4.698 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 434 10.123 5.766 -0.915 1.00 0.00 H new ATOM 1110 N LYS A 435 11.668 5.639 2.585 1.00 0.00 N ATOM 1111 CA LYS A 435 11.699 6.683 3.605 1.00 0.00 C ATOM 1112 C LYS A 435 11.707 8.069 2.970 1.00 0.00 C ATOM 1113 O LYS A 435 11.053 8.992 3.457 1.00 0.00 O ATOM 1114 CB LYS A 435 12.926 6.514 4.501 1.00 0.00 C ATOM 1115 CG LYS A 435 12.956 5.192 5.250 1.00 0.00 C ATOM 1116 CD LYS A 435 14.198 5.071 6.117 1.00 0.00 C ATOM 1117 CE LYS A 435 13.905 5.433 7.564 1.00 0.00 C ATOM 1118 NZ LYS A 435 12.958 4.474 8.196 1.00 0.00 N ATOM 0 H LYS A 435 12.419 4.953 2.663 1.00 0.00 H new ATOM 0 HA LYS A 435 10.798 6.587 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 435 13.825 6.596 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 435 12.954 7.331 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 435 12.066 5.106 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 435 12.927 4.368 4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 435 14.580 4.052 6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 435 14.979 5.724 5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 435 14.837 5.449 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 435 13.487 6.439 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 13.122 4.450 9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 11.981 4.777 8.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 13.109 3.525 7.799 1.00 0.00 H new ATOM 1132 N LYS A 436 12.447 8.204 1.877 1.00 0.00 N ATOM 1133 CA LYS A 436 12.537 9.472 1.167 1.00 0.00 C ATOM 1134 C LYS A 436 11.167 9.894 0.657 1.00 0.00 C ATOM 1135 O LYS A 436 10.665 10.966 0.995 1.00 0.00 O ATOM 1136 CB LYS A 436 13.515 9.356 -0.001 1.00 0.00 C ATOM 1137 CG LYS A 436 14.891 8.855 0.404 1.00 0.00 C ATOM 1138 CD LYS A 436 15.019 7.352 0.198 1.00 0.00 C ATOM 1139 CE LYS A 436 15.610 6.667 1.420 1.00 0.00 C ATOM 1140 NZ LYS A 436 16.690 5.709 1.054 1.00 0.00 N ATOM 0 H LYS A 436 12.994 7.449 1.463 1.00 0.00 H new ATOM 0 HA LYS A 436 12.902 10.230 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 436 13.097 8.681 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 436 13.618 10.332 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 436 15.654 9.370 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 436 15.074 9.097 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 436 14.038 6.929 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 436 15.649 7.156 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 436 16.008 7.420 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 436 14.822 6.138 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 17.066 5.264 1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 16.305 4.976 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 17.454 6.218 0.566 1.00 0.00 H new ATOM 1154 N MET A 437 10.566 9.032 -0.150 1.00 0.00 N ATOM 1155 CA MET A 437 9.246 9.298 -0.706 1.00 0.00 C ATOM 1156 C MET A 437 8.216 9.431 0.408 1.00 0.00 C ATOM 1157 O MET A 437 7.221 10.141 0.266 1.00 0.00 O ATOM 1158 CB MET A 437 8.840 8.177 -1.665 1.00 0.00 C ATOM 1159 CG MET A 437 7.460 8.368 -2.276 1.00 0.00 C ATOM 1160 SD MET A 437 7.503 8.499 -4.075 1.00 0.00 S ATOM 1161 CE MET A 437 6.402 9.886 -4.341 1.00 0.00 C ATOM 0 H MET A 437 10.972 8.141 -0.435 1.00 0.00 H new ATOM 0 HA MET A 437 9.286 10.237 -1.258 1.00 0.00 H new ATOM 0 HB2 MET A 437 9.577 8.111 -2.466 1.00 0.00 H new ATOM 0 HB3 MET A 437 8.863 7.227 -1.131 1.00 0.00 H new ATOM 0 HG2 MET A 437 6.823 7.530 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 437 7.006 9.268 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 437 6.736 10.454 -5.209 1.00 0.00 H new ATOM 0 HE2 MET A 437 5.390 9.519 -4.514 1.00 0.00 H new ATOM 0 HE3 MET A 437 6.409 10.530 -3.462 1.00 0.00 H new ATOM 1171 N LEU A 438 8.466 8.748 1.521 1.00 0.00 N ATOM 1172 CA LEU A 438 7.562 8.795 2.664 1.00 0.00 C ATOM 1173 C LEU A 438 7.706 10.118 3.406 1.00 0.00 C ATOM 1174 O LEU A 438 6.728 10.667 3.913 1.00 0.00 O ATOM 1175 CB LEU A 438 7.842 7.629 3.615 1.00 0.00 C ATOM 1176 CG LEU A 438 6.641 7.162 4.437 1.00 0.00 C ATOM 1177 CD1 LEU A 438 6.000 8.338 5.161 1.00 0.00 C ATOM 1178 CD2 LEU A 438 5.625 6.464 3.546 1.00 0.00 C ATOM 0 H LEU A 438 9.286 8.156 1.655 1.00 0.00 H new ATOM 0 HA LEU A 438 6.540 8.711 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 438 8.214 6.786 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 438 8.639 7.921 4.298 1.00 0.00 H new ATOM 0 HG LEU A 438 6.990 6.449 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 438 5.147 7.987 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 438 6.730 8.795 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 438 5.664 9.075 4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 438 4.777 6.138 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 438 5.280 7.155 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 438 6.089 5.598 3.074 1.00 0.00 H new ATOM 1190 N ASP A 439 8.933 10.626 3.461 1.00 0.00 N ATOM 1191 CA ASP A 439 9.207 11.887 4.137 1.00 0.00 C ATOM 1192 C ASP A 439 8.561 13.048 3.391 1.00 0.00 C ATOM 1193 O ASP A 439 8.054 13.989 4.003 1.00 0.00 O ATOM 1194 CB ASP A 439 10.716 12.112 4.249 1.00 0.00 C ATOM 1195 CG ASP A 439 11.085 12.976 5.440 1.00 0.00 C ATOM 1196 OD1 ASP A 439 10.242 13.794 5.863 1.00 0.00 O ATOM 1197 OD2 ASP A 439 12.216 12.833 5.949 1.00 0.00 O ATOM 0 H ASP A 439 9.753 10.183 3.045 1.00 0.00 H new ATOM 0 HA ASP A 439 8.781 11.838 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 439 11.219 11.149 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 439 11.079 12.583 3.336 1.00 0.00 H new ATOM 1202 N PHE A 440 8.580 12.973 2.065 1.00 0.00 N ATOM 1203 CA PHE A 440 7.993 14.015 1.232 1.00 0.00 C ATOM 1204 C PHE A 440 6.501 14.153 1.515 1.00 0.00 C ATOM 1205 O PHE A 440 5.967 15.261 1.562 1.00 0.00 O ATOM 1206 CB PHE A 440 8.214 13.700 -0.247 1.00 0.00 C ATOM 1207 CG PHE A 440 8.607 14.898 -1.065 1.00 0.00 C ATOM 1208 CD1 PHE A 440 9.846 15.494 -0.893 1.00 0.00 C ATOM 1209 CD2 PHE A 440 7.736 15.427 -2.003 1.00 0.00 C ATOM 1210 CE1 PHE A 440 10.209 16.596 -1.643 1.00 0.00 C ATOM 1211 CE2 PHE A 440 8.094 16.530 -2.755 1.00 0.00 C ATOM 1212 CZ PHE A 440 9.332 17.116 -2.575 1.00 0.00 C ATOM 0 H PHE A 440 8.996 12.201 1.544 1.00 0.00 H new ATOM 0 HA PHE A 440 8.483 14.959 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 440 8.990 12.939 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.300 13.273 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 440 10.535 15.093 -0.165 1.00 0.00 H new ATOM 0 HD2 PHE A 440 6.767 14.973 -2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 440 11.178 17.051 -1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 440 7.406 16.934 -3.483 1.00 0.00 H new ATOM 0 HZ PHE A 440 9.613 17.978 -3.161 1.00 0.00 H new ATOM 1222 N TYR A 441 5.836 13.020 1.708 1.00 0.00 N ATOM 1223 CA TYR A 441 4.409 13.010 1.994 1.00 0.00 C ATOM 1224 C TYR A 441 4.167 13.293 3.464 1.00 0.00 C ATOM 1225 O TYR A 441 3.259 14.040 3.820 1.00 0.00 O ATOM 1226 CB TYR A 441 3.798 11.663 1.613 1.00 0.00 C ATOM 1227 CG TYR A 441 3.371 11.583 0.166 1.00 0.00 C ATOM 1228 CD1 TYR A 441 4.278 11.241 -0.829 1.00 0.00 C ATOM 1229 CD2 TYR A 441 2.059 11.848 -0.203 1.00 0.00 C ATOM 1230 CE1 TYR A 441 3.890 11.168 -2.152 1.00 0.00 C ATOM 1231 CE2 TYR A 441 1.663 11.776 -1.525 1.00 0.00 C ATOM 1232 CZ TYR A 441 2.581 11.437 -2.495 1.00 0.00 C ATOM 1233 OH TYR A 441 2.191 11.365 -3.813 1.00 0.00 O ATOM 0 H TYR A 441 6.265 12.095 1.671 1.00 0.00 H new ATOM 0 HA TYR A 441 3.932 13.790 1.401 1.00 0.00 H new ATOM 0 HB2 TYR A 441 4.523 10.874 1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 441 2.934 11.472 2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 441 5.303 11.029 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 441 1.337 12.114 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.607 10.902 -2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 441 0.639 11.984 -1.797 1.00 0.00 H new ATOM 0 HH TYR A 441 1.707 12.182 -4.056 1.00 0.00 H new ATOM 1243 N ALA A 442 4.992 12.703 4.317 1.00 0.00 N ATOM 1244 CA ALA A 442 4.866 12.911 5.750 1.00 0.00 C ATOM 1245 C ALA A 442 4.968 14.394 6.087 1.00 0.00 C ATOM 1246 O ALA A 442 4.377 14.864 7.059 1.00 0.00 O ATOM 1247 CB ALA A 442 5.926 12.117 6.500 1.00 0.00 C ATOM 0 H ALA A 442 5.752 12.080 4.043 1.00 0.00 H new ATOM 0 HA ALA A 442 3.885 12.555 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 442 5.816 12.285 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 442 5.805 11.055 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 442 6.917 12.441 6.182 1.00 0.00 H new ATOM 1253 N LYS A 443 5.706 15.133 5.260 1.00 0.00 N ATOM 1254 CA LYS A 443 5.867 16.568 5.458 1.00 0.00 C ATOM 1255 C LYS A 443 4.717 17.334 4.805 1.00 0.00 C ATOM 1256 O LYS A 443 4.636 18.558 4.906 1.00 0.00 O ATOM 1257 CB LYS A 443 7.206 17.038 4.885 1.00 0.00 C ATOM 1258 CG LYS A 443 7.992 17.930 5.832 1.00 0.00 C ATOM 1259 CD LYS A 443 8.282 17.228 7.148 1.00 0.00 C ATOM 1260 CE LYS A 443 9.575 17.725 7.773 1.00 0.00 C ATOM 1261 NZ LYS A 443 9.347 18.898 8.661 1.00 0.00 N ATOM 0 H LYS A 443 6.200 14.761 4.449 1.00 0.00 H new ATOM 0 HA LYS A 443 5.853 16.769 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 443 7.811 16.166 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 443 7.025 17.579 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 443 8.930 18.225 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 443 7.430 18.844 6.022 1.00 0.00 H new ATOM 0 HD2 LYS A 443 7.456 17.394 7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 443 8.347 16.153 6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 443 10.034 16.920 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 443 10.278 17.997 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 10.253 19.207 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 8.932 19.676 8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.696 18.632 9.427 1.00 0.00 H new ATOM 1275 N GLN A 444 3.823 16.601 4.143 1.00 0.00 N ATOM 1276 CA GLN A 444 2.672 17.199 3.487 1.00 0.00 C ATOM 1277 C GLN A 444 1.393 16.777 4.191 1.00 0.00 C ATOM 1278 O GLN A 444 0.541 17.605 4.508 1.00 0.00 O ATOM 1279 CB GLN A 444 2.624 16.793 2.013 1.00 0.00 C ATOM 1280 CG GLN A 444 3.899 17.113 1.250 1.00 0.00 C ATOM 1281 CD GLN A 444 3.853 18.474 0.581 1.00 0.00 C ATOM 1282 OE1 GLN A 444 3.740 18.574 -0.641 1.00 0.00 O ATOM 1283 NE2 GLN A 444 3.942 19.530 1.381 1.00 0.00 N ATOM 0 H GLN A 444 3.879 15.587 4.049 1.00 0.00 H new ATOM 0 HA GLN A 444 2.764 18.284 3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.430 15.723 1.946 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.787 17.299 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 444 4.746 17.077 1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.068 16.346 0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 444 4.035 19.400 2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 444 3.918 20.471 0.988 1.00 0.00 H new ATOM 1292 N ARG A 445 1.270 15.479 4.444 1.00 0.00 N ATOM 1293 CA ARG A 445 0.100 14.943 5.128 1.00 0.00 C ATOM 1294 C ARG A 445 0.034 15.466 6.556 1.00 0.00 C ATOM 1295 O ARG A 445 -0.990 15.989 6.993 1.00 0.00 O ATOM 1296 CB ARG A 445 0.137 13.413 5.138 1.00 0.00 C ATOM 1297 CG ARG A 445 -1.208 12.775 5.455 1.00 0.00 C ATOM 1298 CD ARG A 445 -1.202 12.106 6.822 1.00 0.00 C ATOM 1299 NE ARG A 445 -1.615 13.021 7.883 1.00 0.00 N ATOM 1300 CZ ARG A 445 -2.000 12.626 9.095 1.00 0.00 C ATOM 1301 NH1 ARG A 445 -2.035 11.335 9.399 1.00 0.00 N ATOM 1302 NH2 ARG A 445 -2.352 13.524 10.005 1.00 0.00 N ATOM 0 H ARG A 445 1.966 14.779 4.186 1.00 0.00 H new ATOM 0 HA ARG A 445 -0.789 15.270 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 445 0.478 13.059 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 445 0.870 13.080 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -1.988 13.535 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -1.451 12.038 4.690 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -1.870 11.245 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 445 -0.202 11.730 7.037 1.00 0.00 H new ATOM 0 HE ARG A 445 -1.608 14.021 7.684 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -1.766 10.640 8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -2.331 11.038 10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -2.328 14.518 9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -2.647 13.221 10.933 1.00 0.00 H new ATOM 1314 N ALA A 446 1.140 15.323 7.273 1.00 0.00 N ATOM 1315 CA ALA A 446 1.225 15.781 8.654 1.00 0.00 C ATOM 1316 C ALA A 446 1.273 17.303 8.727 1.00 0.00 C ATOM 1317 O ALA A 446 0.898 17.898 9.737 1.00 0.00 O ATOM 1318 CB ALA A 446 2.449 15.182 9.331 1.00 0.00 C ATOM 0 H ALA A 446 1.994 14.892 6.920 1.00 0.00 H new ATOM 0 HA ALA A 446 0.329 15.447 9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 446 2.502 15.531 10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 446 2.375 14.095 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 446 3.348 15.490 8.797 1.00 0.00 H new