USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=16 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 -75:sc= -3.77! USER MOD Set 1.2: A 404 CYS SG : rot 94:sc= 0.754 USER MOD Set 2.1: A 380 TYR OH : rot -145:sc= 0.935 USER MOD Set 2.2: A 444 GLN :FLIP amide:sc= -2.92! C(o=-2.7!,f=-2!) USER MOD Single : A 369 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 GLN : amide:sc= -1.87! C(o=-1.9!,f=-4.8!) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot -30:sc= 0.567 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.24) USER MOD Single : A 389 THR OG1 : rot 180:sc= 0 USER MOD Single : A 399 ASN :FLIP amide:sc= -0.0515 F(o=-0.61,f=-0.052) USER MOD Single : A 400 SER OG : rot 100:sc= -0.088 USER MOD Single : A 410 THR OG1 : rot 36:sc= 0.0905 USER MOD Single : A 414 THR OG1 : rot -60:sc= -2.48! USER MOD Single : A 419 ASN : amide:sc= -3.39 K(o=-3.4,f=-22!) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.616 X(o=-0.62,f=-0.17) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 149:sc= -0.137 (180deg=-0.963) USER MOD Single : A 441 TYR OH : rot 30:sc= -0.123 USER MOD Single : A 443 LYS NZ :NH3+ 158:sc= -0.121 (180deg=-0.556) USER MOD ----------------------------------------------------------------- ATOM 102 N ASN A 369 -3.237 -2.819 9.133 1.00 0.00 N ATOM 103 CA ASN A 369 -2.926 -1.481 9.630 1.00 0.00 C ATOM 104 C ASN A 369 -1.939 -0.760 8.712 1.00 0.00 C ATOM 105 O ASN A 369 -1.842 0.468 8.738 1.00 0.00 O ATOM 106 CB ASN A 369 -2.352 -1.556 11.049 1.00 0.00 C ATOM 107 CG ASN A 369 -1.384 -2.712 11.229 1.00 0.00 C ATOM 108 OD1 ASN A 369 -0.260 -2.661 10.524 1.00 0.00 O flip ATOM 109 ND2 ASN A 369 -1.644 -3.640 11.995 1.00 0.00 N flip ATOM 0 HA ASN A 369 -3.856 -0.913 9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -1.842 -0.621 11.280 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -3.170 -1.658 11.762 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -2.520 -3.640 12.518 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -0.984 -4.409 12.107 1.00 0.00 H new ATOM 116 N ALA A 370 -1.204 -1.523 7.906 1.00 0.00 N ATOM 117 CA ALA A 370 -0.222 -0.946 6.990 1.00 0.00 C ATOM 118 C ALA A 370 -0.834 0.168 6.149 1.00 0.00 C ATOM 119 O ALA A 370 -0.222 1.219 5.954 1.00 0.00 O ATOM 120 CB ALA A 370 0.371 -2.026 6.096 1.00 0.00 C ATOM 0 H ALA A 370 -1.269 -2.540 7.868 1.00 0.00 H new ATOM 0 HA ALA A 370 0.577 -0.510 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 370 1.100 -1.579 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 370 0.861 -2.780 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -0.423 -2.494 5.515 1.00 0.00 H new ATOM 126 N LYS A 371 -2.042 -0.064 5.653 1.00 0.00 N ATOM 127 CA LYS A 371 -2.729 0.931 4.834 1.00 0.00 C ATOM 128 C LYS A 371 -3.008 2.191 5.642 1.00 0.00 C ATOM 129 O LYS A 371 -2.937 3.303 5.119 1.00 0.00 O ATOM 130 CB LYS A 371 -4.037 0.365 4.279 1.00 0.00 C ATOM 131 CG LYS A 371 -4.921 -0.281 5.333 1.00 0.00 C ATOM 132 CD LYS A 371 -6.378 0.120 5.167 1.00 0.00 C ATOM 133 CE LYS A 371 -6.796 1.149 6.205 1.00 0.00 C ATOM 134 NZ LYS A 371 -7.841 2.073 5.683 1.00 0.00 N ATOM 0 H LYS A 371 -2.566 -0.927 5.801 1.00 0.00 H new ATOM 0 HA LYS A 371 -2.078 1.188 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -4.593 1.168 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -3.806 -0.372 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -4.832 -1.365 5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -4.575 0.008 6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.533 0.527 4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.011 -0.763 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -7.173 0.638 7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -5.925 1.725 6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -8.098 2.759 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -7.473 2.580 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -8.683 1.526 5.410 1.00 0.00 H new ATOM 148 N ARG A 372 -3.314 2.012 6.921 1.00 0.00 N ATOM 149 CA ARG A 372 -3.589 3.141 7.798 1.00 0.00 C ATOM 150 C ARG A 372 -2.333 3.980 7.968 1.00 0.00 C ATOM 151 O ARG A 372 -2.398 5.203 8.083 1.00 0.00 O ATOM 152 CB ARG A 372 -4.090 2.656 9.159 1.00 0.00 C ATOM 153 CG ARG A 372 -5.579 2.354 9.188 1.00 0.00 C ATOM 154 CD ARG A 372 -6.126 2.385 10.608 1.00 0.00 C ATOM 155 NE ARG A 372 -6.293 1.041 11.159 1.00 0.00 N ATOM 156 CZ ARG A 372 -7.348 0.266 10.918 1.00 0.00 C ATOM 157 NH1 ARG A 372 -8.328 0.689 10.130 1.00 0.00 N ATOM 158 NH2 ARG A 372 -7.421 -0.941 11.464 1.00 0.00 N ATOM 0 H ARG A 372 -3.378 1.099 7.372 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.368 3.754 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -3.540 1.758 9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -3.867 3.414 9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -6.111 3.082 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -5.761 1.374 8.748 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -5.451 2.957 11.244 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -7.085 2.902 10.616 1.00 0.00 H new ATOM 0 HE ARG A 372 -5.557 0.676 11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -8.276 1.614 9.704 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -9.133 0.089 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -6.669 -1.274 12.068 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -8.229 -1.536 11.280 1.00 0.00 H new ATOM 170 N GLN A 373 -1.187 3.310 7.965 1.00 0.00 N ATOM 171 CA GLN A 373 0.095 3.985 8.099 1.00 0.00 C ATOM 172 C GLN A 373 0.306 4.941 6.939 1.00 0.00 C ATOM 173 O GLN A 373 0.495 6.140 7.137 1.00 0.00 O ATOM 174 CB GLN A 373 1.231 2.960 8.153 1.00 0.00 C ATOM 175 CG GLN A 373 2.076 3.060 9.411 1.00 0.00 C ATOM 176 CD GLN A 373 3.211 4.055 9.274 1.00 0.00 C ATOM 177 OE1 GLN A 373 4.309 3.708 8.838 1.00 0.00 O ATOM 178 NE2 GLN A 373 2.952 5.304 9.648 1.00 0.00 N ATOM 0 H GLN A 373 -1.121 2.297 7.871 1.00 0.00 H new ATOM 0 HA GLN A 373 0.095 4.555 9.028 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.809 1.957 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 373 1.873 3.094 7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 373 1.442 3.351 10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.485 2.078 9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 373 2.028 5.549 10.004 1.00 0.00 H new ATOM 0 HE22 GLN A 373 3.677 6.018 9.579 1.00 0.00 H new ATOM 187 N LEU A 374 0.271 4.408 5.727 1.00 0.00 N ATOM 188 CA LEU A 374 0.464 5.226 4.544 1.00 0.00 C ATOM 189 C LEU A 374 -0.611 6.297 4.438 1.00 0.00 C ATOM 190 O LEU A 374 -0.326 7.441 4.101 1.00 0.00 O ATOM 191 CB LEU A 374 0.464 4.357 3.286 1.00 0.00 C ATOM 192 CG LEU A 374 1.739 3.543 3.063 1.00 0.00 C ATOM 193 CD1 LEU A 374 1.405 2.163 2.517 1.00 0.00 C ATOM 194 CD2 LEU A 374 2.680 4.279 2.122 1.00 0.00 C ATOM 0 H LEU A 374 0.112 3.418 5.539 1.00 0.00 H new ATOM 0 HA LEU A 374 1.432 5.719 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -0.382 3.672 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 374 0.304 4.999 2.419 1.00 0.00 H new ATOM 0 HG LEU A 374 2.240 3.417 4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 374 2.325 1.599 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 374 0.769 1.635 3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 374 0.881 2.265 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 374 3.583 3.687 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 374 2.187 4.435 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 374 2.946 5.244 2.554 1.00 0.00 H new ATOM 206 N TYR A 375 -1.847 5.930 4.725 1.00 0.00 N ATOM 207 CA TYR A 375 -2.941 6.884 4.648 1.00 0.00 C ATOM 208 C TYR A 375 -2.856 7.899 5.779 1.00 0.00 C ATOM 209 O TYR A 375 -3.313 9.033 5.641 1.00 0.00 O ATOM 210 CB TYR A 375 -4.290 6.163 4.681 1.00 0.00 C ATOM 211 CG TYR A 375 -5.285 6.680 3.667 1.00 0.00 C ATOM 212 CD1 TYR A 375 -5.333 8.028 3.335 1.00 0.00 C ATOM 213 CD2 TYR A 375 -6.178 5.819 3.042 1.00 0.00 C ATOM 214 CE1 TYR A 375 -6.242 8.503 2.408 1.00 0.00 C ATOM 215 CE2 TYR A 375 -7.089 6.286 2.114 1.00 0.00 C ATOM 216 CZ TYR A 375 -7.117 7.628 1.801 1.00 0.00 C ATOM 217 OH TYR A 375 -8.023 8.097 0.878 1.00 0.00 O ATOM 0 H TYR A 375 -2.118 4.989 5.011 1.00 0.00 H new ATOM 0 HA TYR A 375 -2.856 7.417 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -4.127 5.100 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -4.719 6.260 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.649 8.716 3.809 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -6.160 4.767 3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -6.266 9.554 2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.776 5.603 1.636 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.565 7.352 0.544 1.00 0.00 H new ATOM 227 N SER A 376 -2.261 7.492 6.890 1.00 0.00 N ATOM 228 CA SER A 376 -2.113 8.377 8.031 1.00 0.00 C ATOM 229 C SER A 376 -0.723 9.007 8.057 1.00 0.00 C ATOM 230 O SER A 376 -0.387 9.740 8.986 1.00 0.00 O ATOM 231 CB SER A 376 -2.366 7.617 9.334 1.00 0.00 C ATOM 232 OG SER A 376 -2.393 8.498 10.443 1.00 0.00 O ATOM 0 H SER A 376 -1.875 6.558 7.024 1.00 0.00 H new ATOM 0 HA SER A 376 -2.851 9.173 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 376 -3.313 7.082 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 376 -1.587 6.869 9.479 1.00 0.00 H new ATOM 0 HG SER A 376 -1.807 9.264 10.267 1.00 0.00 H new ATOM 238 N LEU A 377 0.095 8.710 7.044 1.00 0.00 N ATOM 239 CA LEU A 377 1.432 9.237 6.980 1.00 0.00 C ATOM 240 C LEU A 377 1.695 9.933 5.639 1.00 0.00 C ATOM 241 O LEU A 377 2.484 10.874 5.575 1.00 0.00 O ATOM 242 CB LEU A 377 2.412 8.108 7.260 1.00 0.00 C ATOM 243 CG LEU A 377 2.820 7.306 6.056 1.00 0.00 C ATOM 244 CD1 LEU A 377 3.968 7.999 5.384 1.00 0.00 C ATOM 245 CD2 LEU A 377 3.179 5.882 6.457 1.00 0.00 C ATOM 0 H LEU A 377 -0.159 8.105 6.263 1.00 0.00 H new ATOM 0 HA LEU A 377 1.566 10.007 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 377 3.307 8.530 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 377 1.967 7.434 7.992 1.00 0.00 H new ATOM 0 HG LEU A 377 1.989 7.237 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 377 4.275 7.428 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 377 3.660 8.998 5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 377 4.804 8.075 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 377 3.472 5.317 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.007 5.901 7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 377 2.315 5.406 6.922 1.00 0.00 H new ATOM 257 N ILE A 378 1.012 9.497 4.573 1.00 0.00 N ATOM 258 CA ILE A 378 1.177 10.131 3.261 1.00 0.00 C ATOM 259 C ILE A 378 -0.162 10.602 2.701 1.00 0.00 C ATOM 260 O ILE A 378 -0.243 11.663 2.081 1.00 0.00 O ATOM 261 CB ILE A 378 1.860 9.220 2.209 1.00 0.00 C ATOM 262 CG1 ILE A 378 1.047 7.952 1.947 1.00 0.00 C ATOM 263 CG2 ILE A 378 3.270 8.858 2.635 1.00 0.00 C ATOM 264 CD1 ILE A 378 1.305 7.352 0.583 1.00 0.00 C ATOM 0 H ILE A 378 0.351 8.721 4.592 1.00 0.00 H new ATOM 0 HA ILE A 378 1.834 10.982 3.442 1.00 0.00 H new ATOM 0 HB ILE A 378 1.910 9.787 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 378 1.282 7.213 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -0.014 8.182 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 378 3.726 8.219 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 378 3.861 9.767 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 378 3.238 8.328 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 378 0.698 6.455 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 378 1.044 8.076 -0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 378 2.360 7.092 0.494 1.00 0.00 H new ATOM 276 N GLY A 379 -1.208 9.814 2.920 1.00 0.00 N ATOM 277 CA GLY A 379 -2.523 10.176 2.424 1.00 0.00 C ATOM 278 C GLY A 379 -3.073 11.417 3.097 1.00 0.00 C ATOM 279 O GLY A 379 -3.487 11.369 4.255 1.00 0.00 O ATOM 0 H GLY A 379 -1.170 8.932 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.469 10.343 1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -3.210 9.345 2.584 1.00 0.00 H new ATOM 283 N TYR A 380 -3.078 12.532 2.373 1.00 0.00 N ATOM 284 CA TYR A 380 -3.583 13.788 2.918 1.00 0.00 C ATOM 285 C TYR A 380 -4.938 14.148 2.315 1.00 0.00 C ATOM 286 O TYR A 380 -5.833 14.618 3.016 1.00 0.00 O ATOM 287 CB TYR A 380 -2.588 14.932 2.690 1.00 0.00 C ATOM 288 CG TYR A 380 -1.684 14.753 1.489 1.00 0.00 C ATOM 289 CD1 TYR A 380 -2.176 14.893 0.198 1.00 0.00 C ATOM 290 CD2 TYR A 380 -0.337 14.452 1.649 1.00 0.00 C ATOM 291 CE1 TYR A 380 -1.351 14.740 -0.901 1.00 0.00 C ATOM 292 CE2 TYR A 380 0.493 14.296 0.558 1.00 0.00 C ATOM 293 CZ TYR A 380 -0.017 14.442 -0.715 1.00 0.00 C ATOM 294 OH TYR A 380 0.807 14.293 -1.806 1.00 0.00 O ATOM 0 H TYR A 380 -2.740 12.592 1.412 1.00 0.00 H new ATOM 0 HA TYR A 380 -3.708 13.646 3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -3.145 15.862 2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -1.969 15.040 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -3.220 15.125 0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 380 0.067 14.338 2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -1.749 14.853 -1.899 1.00 0.00 H new ATOM 0 HE2 TYR A 380 1.537 14.061 0.700 1.00 0.00 H new ATOM 0 HH TYR A 380 1.472 13.598 -1.621 1.00 0.00 H new ATOM 304 N ALA A 381 -5.084 13.926 1.013 1.00 0.00 N ATOM 305 CA ALA A 381 -6.333 14.229 0.324 1.00 0.00 C ATOM 306 C ALA A 381 -6.334 13.647 -1.085 1.00 0.00 C ATOM 307 O ALA A 381 -6.999 12.647 -1.353 1.00 0.00 O ATOM 308 CB ALA A 381 -6.562 15.733 0.282 1.00 0.00 C ATOM 0 H ALA A 381 -4.355 13.538 0.415 1.00 0.00 H new ATOM 0 HA ALA A 381 -7.150 13.767 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -7.498 15.944 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -6.614 16.122 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -5.739 16.212 -0.248 1.00 0.00 H new ATOM 314 N SER A 382 -5.581 14.276 -1.981 1.00 0.00 N ATOM 315 CA SER A 382 -5.492 13.814 -3.362 1.00 0.00 C ATOM 316 C SER A 382 -4.979 12.377 -3.421 1.00 0.00 C ATOM 317 O SER A 382 -5.200 11.668 -4.403 1.00 0.00 O ATOM 318 CB SER A 382 -4.572 14.730 -4.170 1.00 0.00 C ATOM 319 OG SER A 382 -5.315 15.726 -4.853 1.00 0.00 O ATOM 0 H SER A 382 -5.024 15.106 -1.776 1.00 0.00 H new ATOM 0 HA SER A 382 -6.492 13.843 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 382 -3.849 15.203 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 382 -4.005 14.139 -4.888 1.00 0.00 H new ATOM 0 HG SER A 382 -4.704 16.300 -5.361 1.00 0.00 H new ATOM 325 N LEU A 383 -4.294 11.953 -2.362 1.00 0.00 N ATOM 326 CA LEU A 383 -3.750 10.602 -2.294 1.00 0.00 C ATOM 327 C LEU A 383 -4.853 9.580 -2.039 1.00 0.00 C ATOM 328 O LEU A 383 -5.051 9.140 -0.907 1.00 0.00 O ATOM 329 CB LEU A 383 -2.701 10.501 -1.179 1.00 0.00 C ATOM 330 CG LEU A 383 -1.258 10.862 -1.560 1.00 0.00 C ATOM 331 CD1 LEU A 383 -0.281 10.112 -0.667 1.00 0.00 C ATOM 332 CD2 LEU A 383 -0.974 10.560 -3.026 1.00 0.00 C ATOM 0 H LEU A 383 -4.103 12.526 -1.540 1.00 0.00 H new ATOM 0 HA LEU A 383 -3.282 10.386 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.010 11.151 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.707 9.480 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.129 11.934 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.740 10.374 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.456 10.385 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -0.426 9.039 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 383 0.056 10.828 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -1.124 9.497 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -1.651 11.139 -3.654 1.00 0.00 H new ATOM 344 N ARG A 384 -5.559 9.195 -3.094 1.00 0.00 N ATOM 345 CA ARG A 384 -6.627 8.211 -2.967 1.00 0.00 C ATOM 346 C ARG A 384 -6.038 6.824 -2.734 1.00 0.00 C ATOM 347 O ARG A 384 -6.175 5.929 -3.569 1.00 0.00 O ATOM 348 CB ARG A 384 -7.507 8.209 -4.218 1.00 0.00 C ATOM 349 CG ARG A 384 -8.801 7.431 -4.048 1.00 0.00 C ATOM 350 CD ARG A 384 -9.508 7.227 -5.378 1.00 0.00 C ATOM 351 NE ARG A 384 -10.788 6.541 -5.216 1.00 0.00 N ATOM 352 CZ ARG A 384 -10.906 5.236 -4.983 1.00 0.00 C ATOM 353 NH1 ARG A 384 -9.826 4.472 -4.885 1.00 0.00 N ATOM 354 NH2 ARG A 384 -12.109 4.694 -4.846 1.00 0.00 N ATOM 0 H ARG A 384 -5.414 9.546 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 384 -7.246 8.480 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 384 -7.744 9.238 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 384 -6.943 7.784 -5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -8.588 6.462 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 384 -9.460 7.964 -3.363 1.00 0.00 H new ATOM 0 HD2 ARG A 384 -9.672 8.194 -5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 384 -8.868 6.648 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 384 -11.642 7.095 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -8.899 4.884 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -9.923 3.472 -4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -12.943 5.277 -4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -12.200 3.694 -4.667 1.00 0.00 H new ATOM 366 N LEU A 385 -5.371 6.657 -1.595 1.00 0.00 N ATOM 367 CA LEU A 385 -4.746 5.384 -1.246 1.00 0.00 C ATOM 368 C LEU A 385 -5.722 4.223 -1.409 1.00 0.00 C ATOM 369 O LEU A 385 -6.652 4.061 -0.618 1.00 0.00 O ATOM 370 CB LEU A 385 -4.217 5.430 0.190 1.00 0.00 C ATOM 371 CG LEU A 385 -3.615 4.118 0.702 1.00 0.00 C ATOM 372 CD1 LEU A 385 -2.185 4.333 1.175 1.00 0.00 C ATOM 373 CD2 LEU A 385 -4.466 3.538 1.822 1.00 0.00 C ATOM 0 H LEU A 385 -5.249 7.390 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.912 5.222 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -3.459 6.210 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -5.033 5.721 0.852 1.00 0.00 H new ATOM 0 HG LEU A 385 -3.601 3.405 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -1.775 3.389 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.579 4.699 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -2.175 5.065 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -4.021 2.606 2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -4.515 4.249 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -5.472 3.343 1.451 1.00 0.00 H new ATOM 385 N HIS A 386 -5.497 3.416 -2.440 1.00 0.00 N ATOM 386 CA HIS A 386 -6.344 2.263 -2.714 1.00 0.00 C ATOM 387 C HIS A 386 -5.495 1.056 -3.092 1.00 0.00 C ATOM 388 O HIS A 386 -4.439 1.199 -3.710 1.00 0.00 O ATOM 389 CB HIS A 386 -7.334 2.581 -3.837 1.00 0.00 C ATOM 390 CG HIS A 386 -8.422 1.564 -3.980 1.00 0.00 C ATOM 391 ND1 HIS A 386 -8.433 0.607 -4.972 1.00 0.00 N ATOM 392 CD2 HIS A 386 -9.543 1.357 -3.248 1.00 0.00 C ATOM 393 CE1 HIS A 386 -9.512 -0.145 -4.845 1.00 0.00 C ATOM 394 NE2 HIS A 386 -10.202 0.289 -3.807 1.00 0.00 N ATOM 0 H HIS A 386 -4.731 3.541 -3.102 1.00 0.00 H new ATOM 0 HA HIS A 386 -6.905 2.027 -1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 386 -7.782 3.557 -3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 386 -6.791 2.655 -4.779 1.00 0.00 H new ATOM 0 HD2 HIS A 386 -9.860 1.925 -2.386 1.00 0.00 H new ATOM 0 HE1 HIS A 386 -9.783 -0.974 -5.482 1.00 0.00 H new ATOM 0 HE2 HIS A 386 -11.082 -0.105 -3.474 1.00 0.00 H new ATOM 403 N TYR A 387 -5.954 -0.131 -2.714 1.00 0.00 N ATOM 404 CA TYR A 387 -5.225 -1.356 -3.012 1.00 0.00 C ATOM 405 C TYR A 387 -5.978 -2.216 -4.017 1.00 0.00 C ATOM 406 O TYR A 387 -7.131 -2.584 -3.799 1.00 0.00 O ATOM 407 CB TYR A 387 -4.963 -2.144 -1.730 1.00 0.00 C ATOM 408 CG TYR A 387 -3.813 -1.589 -0.926 1.00 0.00 C ATOM 409 CD1 TYR A 387 -3.875 -0.309 -0.394 1.00 0.00 C ATOM 410 CD2 TYR A 387 -2.662 -2.337 -0.710 1.00 0.00 C ATOM 411 CE1 TYR A 387 -2.823 0.213 0.331 1.00 0.00 C ATOM 412 CE2 TYR A 387 -1.608 -1.824 0.016 1.00 0.00 C ATOM 413 CZ TYR A 387 -1.692 -0.547 0.533 1.00 0.00 C ATOM 414 OH TYR A 387 -0.642 -0.028 1.253 1.00 0.00 O ATOM 0 H TYR A 387 -6.825 -0.270 -2.202 1.00 0.00 H new ATOM 0 HA TYR A 387 -4.270 -1.078 -3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -5.864 -2.141 -1.117 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -4.754 -3.183 -1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -4.761 0.289 -0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -2.592 -3.335 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.886 1.212 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -0.721 -2.418 0.179 1.00 0.00 H new ATOM 0 HH TYR A 387 -0.161 0.627 0.705 1.00 0.00 H new ATOM 424 N VAL A 388 -5.311 -2.531 -5.120 1.00 0.00 N ATOM 425 CA VAL A 388 -5.903 -3.346 -6.168 1.00 0.00 C ATOM 426 C VAL A 388 -5.235 -4.714 -6.240 1.00 0.00 C ATOM 427 O VAL A 388 -4.130 -4.849 -6.766 1.00 0.00 O ATOM 428 CB VAL A 388 -5.791 -2.654 -7.540 1.00 0.00 C ATOM 429 CG1 VAL A 388 -6.503 -3.467 -8.612 1.00 0.00 C ATOM 430 CG2 VAL A 388 -6.350 -1.242 -7.472 1.00 0.00 C ATOM 0 H VAL A 388 -4.355 -2.232 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 388 -6.956 -3.475 -5.919 1.00 0.00 H new ATOM 0 HB VAL A 388 -4.736 -2.591 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 388 -6.412 -2.961 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 388 -6.051 -4.456 -8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 388 -7.557 -3.567 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 388 -6.263 -0.769 -8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 388 -7.399 -1.280 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 388 -5.789 -0.664 -6.738 1.00 0.00 H new ATOM 440 N THR A 389 -5.913 -5.725 -5.709 1.00 0.00 N ATOM 441 CA THR A 389 -5.385 -7.083 -5.718 1.00 0.00 C ATOM 442 C THR A 389 -5.658 -7.756 -7.059 1.00 0.00 C ATOM 443 O THR A 389 -6.718 -7.567 -7.654 1.00 0.00 O ATOM 444 CB THR A 389 -6.009 -7.905 -4.589 1.00 0.00 C ATOM 445 OG1 THR A 389 -7.406 -8.040 -4.780 1.00 0.00 O ATOM 446 CG2 THR A 389 -5.788 -7.305 -3.217 1.00 0.00 C ATOM 0 H THR A 389 -6.828 -5.630 -5.268 1.00 0.00 H new ATOM 0 HA THR A 389 -4.307 -7.030 -5.565 1.00 0.00 H new ATOM 0 HB THR A 389 -5.510 -8.873 -4.628 1.00 0.00 H new ATOM 0 HG1 THR A 389 -7.786 -8.570 -4.049 1.00 0.00 H new ATOM 0 HG21 THR A 389 -6.256 -7.938 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A 389 -4.719 -7.235 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 389 -6.230 -6.309 -3.180 1.00 0.00 H new ATOM 594 N ASN A 399 0.755 -16.736 -6.052 1.00 0.00 N ATOM 595 CA ASN A 399 0.571 -16.151 -4.730 1.00 0.00 C ATOM 596 C ASN A 399 -0.414 -14.992 -4.786 1.00 0.00 C ATOM 597 O ASN A 399 -0.979 -14.694 -5.839 1.00 0.00 O ATOM 598 CB ASN A 399 1.909 -15.666 -4.163 1.00 0.00 C ATOM 599 CG ASN A 399 3.073 -16.543 -4.581 1.00 0.00 C ATOM 600 OD1 ASN A 399 3.530 -16.369 -5.816 1.00 0.00 O flip ATOM 601 ND2 ASN A 399 3.558 -17.366 -3.804 1.00 0.00 N flip ATOM 0 HA ASN A 399 0.169 -16.924 -4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 399 2.091 -14.644 -4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 399 1.850 -15.641 -3.075 1.00 0.00 H new ATOM 0 HD21 ASN A 399 3.176 -17.467 -2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 399 4.342 -17.947 -4.101 1.00 0.00 H new ATOM 608 N SER A 400 -0.611 -14.336 -3.650 1.00 0.00 N ATOM 609 CA SER A 400 -1.521 -13.205 -3.578 1.00 0.00 C ATOM 610 C SER A 400 -0.763 -11.905 -3.817 1.00 0.00 C ATOM 611 O SER A 400 -0.174 -11.343 -2.896 1.00 0.00 O ATOM 612 CB SER A 400 -2.227 -13.171 -2.220 1.00 0.00 C ATOM 613 OG SER A 400 -3.630 -13.058 -2.379 1.00 0.00 O ATOM 0 H SER A 400 -0.153 -14.568 -2.769 1.00 0.00 H new ATOM 0 HA SER A 400 -2.277 -13.316 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 400 -1.993 -14.077 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 400 -1.855 -12.331 -1.634 1.00 0.00 H new ATOM 0 HG SER A 400 -4.043 -13.940 -2.272 1.00 0.00 H new ATOM 619 N ILE A 401 -0.769 -11.438 -5.062 1.00 0.00 N ATOM 620 CA ILE A 401 -0.066 -10.212 -5.411 1.00 0.00 C ATOM 621 C ILE A 401 -1.008 -9.012 -5.419 1.00 0.00 C ATOM 622 O ILE A 401 -2.049 -9.029 -6.075 1.00 0.00 O ATOM 623 CB ILE A 401 0.649 -10.339 -6.780 1.00 0.00 C ATOM 624 CG1 ILE A 401 1.881 -9.436 -6.819 1.00 0.00 C ATOM 625 CG2 ILE A 401 -0.291 -10.012 -7.935 1.00 0.00 C ATOM 626 CD1 ILE A 401 1.569 -7.974 -6.587 1.00 0.00 C ATOM 0 H ILE A 401 -1.250 -11.888 -5.841 1.00 0.00 H new ATOM 0 HA ILE A 401 0.690 -10.049 -4.643 1.00 0.00 H new ATOM 0 HB ILE A 401 0.966 -11.375 -6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 401 2.591 -9.772 -6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 401 2.370 -9.545 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 401 0.244 -10.111 -8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 401 -1.136 -10.701 -7.923 1.00 0.00 H new ATOM 0 HG23 ILE A 401 -0.655 -8.990 -7.830 1.00 0.00 H new ATOM 0 HD11 ILE A 401 2.491 -7.394 -6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 401 0.883 -7.622 -7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 401 1.107 -7.851 -5.607 1.00 0.00 H new ATOM 638 N VAL A 402 -0.630 -7.969 -4.687 1.00 0.00 N ATOM 639 CA VAL A 402 -1.430 -6.758 -4.609 1.00 0.00 C ATOM 640 C VAL A 402 -0.608 -5.541 -5.007 1.00 0.00 C ATOM 641 O VAL A 402 0.622 -5.565 -4.957 1.00 0.00 O ATOM 642 CB VAL A 402 -2.001 -6.544 -3.195 1.00 0.00 C ATOM 643 CG1 VAL A 402 -2.954 -5.360 -3.175 1.00 0.00 C ATOM 644 CG2 VAL A 402 -2.695 -7.805 -2.705 1.00 0.00 C ATOM 0 H VAL A 402 0.229 -7.941 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 402 -2.260 -6.880 -5.305 1.00 0.00 H new ATOM 0 HB VAL A 402 -1.175 -6.324 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 402 -3.346 -5.226 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 402 -2.422 -4.459 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -3.778 -5.545 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 402 -3.093 -7.636 -1.704 1.00 0.00 H new ATOM 0 HG22 VAL A 402 -3.511 -8.058 -3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 402 -1.979 -8.627 -2.677 1.00 0.00 H new ATOM 654 N GLU A 403 -1.293 -4.480 -5.410 1.00 0.00 N ATOM 655 CA GLU A 403 -0.623 -3.256 -5.825 1.00 0.00 C ATOM 656 C GLU A 403 -1.284 -2.025 -5.215 1.00 0.00 C ATOM 657 O GLU A 403 -2.417 -1.684 -5.554 1.00 0.00 O ATOM 658 CB GLU A 403 -0.621 -3.144 -7.351 1.00 0.00 C ATOM 659 CG GLU A 403 0.131 -4.269 -8.043 1.00 0.00 C ATOM 660 CD GLU A 403 -0.611 -4.813 -9.249 1.00 0.00 C ATOM 661 OE1 GLU A 403 -1.080 -4.001 -10.073 1.00 0.00 O ATOM 662 OE2 GLU A 403 -0.723 -6.051 -9.367 1.00 0.00 O ATOM 0 H GLU A 403 -2.311 -4.442 -5.458 1.00 0.00 H new ATOM 0 HA GLU A 403 0.405 -3.302 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 403 -1.651 -3.134 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 403 -0.175 -2.191 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 403 1.110 -3.907 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 403 0.303 -5.077 -7.332 1.00 0.00 H new ATOM 669 N CYS A 404 -0.563 -1.358 -4.320 1.00 0.00 N ATOM 670 CA CYS A 404 -1.074 -0.158 -3.669 1.00 0.00 C ATOM 671 C CYS A 404 -1.053 1.019 -4.637 1.00 0.00 C ATOM 672 O CYS A 404 0.012 1.515 -5.001 1.00 0.00 O ATOM 673 CB CYS A 404 -0.238 0.172 -2.430 1.00 0.00 C ATOM 674 SG CYS A 404 -0.758 1.673 -1.564 1.00 0.00 S ATOM 0 H CYS A 404 0.377 -1.628 -4.029 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.103 -0.344 -3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -0.287 -0.669 -1.738 1.00 0.00 H new ATOM 0 HB3 CYS A 404 0.805 0.280 -2.727 1.00 0.00 H new ATOM 0 HG CYS A 404 -1.581 1.359 -0.608 1.00 0.00 H new ATOM 680 N ARG A 405 -2.235 1.461 -5.052 1.00 0.00 N ATOM 681 CA ARG A 405 -2.346 2.577 -5.978 1.00 0.00 C ATOM 682 C ARG A 405 -2.811 3.830 -5.254 1.00 0.00 C ATOM 683 O ARG A 405 -3.664 3.771 -4.369 1.00 0.00 O ATOM 684 CB ARG A 405 -3.314 2.239 -7.111 1.00 0.00 C ATOM 685 CG ARG A 405 -2.748 1.253 -8.119 1.00 0.00 C ATOM 686 CD ARG A 405 -3.834 0.359 -8.695 1.00 0.00 C ATOM 687 NE ARG A 405 -3.428 -0.250 -9.958 1.00 0.00 N ATOM 688 CZ ARG A 405 -3.428 0.390 -11.124 1.00 0.00 C ATOM 689 NH1 ARG A 405 -3.813 1.659 -11.193 1.00 0.00 N ATOM 690 NH2 ARG A 405 -3.042 -0.238 -12.227 1.00 0.00 N ATOM 0 H ARG A 405 -3.128 1.063 -4.761 1.00 0.00 H new ATOM 0 HA ARG A 405 -1.360 2.765 -6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -4.229 1.826 -6.685 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -3.590 3.158 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -2.258 1.797 -8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -1.986 0.639 -7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -4.078 -0.424 -7.977 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -4.741 0.944 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 405 -3.126 -1.224 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -4.111 2.148 -10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -3.811 2.145 -12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -2.745 -1.213 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -3.042 0.254 -13.121 1.00 0.00 H new ATOM 702 N VAL A 406 -2.245 4.966 -5.636 1.00 0.00 N ATOM 703 CA VAL A 406 -2.601 6.234 -5.021 1.00 0.00 C ATOM 704 C VAL A 406 -3.129 7.220 -6.059 1.00 0.00 C ATOM 705 O VAL A 406 -2.932 7.038 -7.259 1.00 0.00 O ATOM 706 CB VAL A 406 -1.400 6.861 -4.290 1.00 0.00 C ATOM 707 CG1 VAL A 406 -0.959 5.980 -3.133 1.00 0.00 C ATOM 708 CG2 VAL A 406 -0.250 7.100 -5.257 1.00 0.00 C ATOM 0 H VAL A 406 -1.538 5.034 -6.368 1.00 0.00 H new ATOM 0 HA VAL A 406 -3.386 6.025 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 406 -1.709 7.825 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 406 -0.109 6.440 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -1.782 5.867 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 406 -0.669 5.000 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 406 0.589 7.544 -4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 406 0.060 6.151 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -0.574 7.777 -6.048 1.00 0.00 H new ATOM 744 N THR A 410 -1.679 5.410 -9.689 1.00 0.00 N ATOM 745 CA THR A 410 -0.231 5.282 -9.582 1.00 0.00 C ATOM 746 C THR A 410 0.150 4.355 -8.433 1.00 0.00 C ATOM 747 O THR A 410 -0.118 4.650 -7.269 1.00 0.00 O ATOM 748 CB THR A 410 0.409 6.656 -9.378 1.00 0.00 C ATOM 749 OG1 THR A 410 0.065 7.533 -10.436 1.00 0.00 O ATOM 750 CG2 THR A 410 1.920 6.609 -9.295 1.00 0.00 C ATOM 0 HA THR A 410 0.140 4.850 -10.511 1.00 0.00 H new ATOM 0 HB THR A 410 0.020 7.014 -8.425 1.00 0.00 H new ATOM 0 HG1 THR A 410 -0.855 7.355 -10.723 1.00 0.00 H new ATOM 0 HG21 THR A 410 2.308 7.617 -9.150 1.00 0.00 H new ATOM 0 HG22 THR A 410 2.219 5.981 -8.456 1.00 0.00 H new ATOM 0 HG23 THR A 410 2.322 6.195 -10.219 1.00 0.00 H new ATOM 758 N VAL A 411 0.779 3.232 -8.768 1.00 0.00 N ATOM 759 CA VAL A 411 1.197 2.263 -7.762 1.00 0.00 C ATOM 760 C VAL A 411 2.399 2.773 -6.976 1.00 0.00 C ATOM 761 O VAL A 411 3.461 3.030 -7.544 1.00 0.00 O ATOM 762 CB VAL A 411 1.544 0.903 -8.401 1.00 0.00 C ATOM 763 CG1 VAL A 411 2.719 1.041 -9.358 1.00 0.00 C ATOM 764 CG2 VAL A 411 1.841 -0.131 -7.324 1.00 0.00 C ATOM 0 H VAL A 411 1.010 2.972 -9.727 1.00 0.00 H new ATOM 0 HA VAL A 411 0.356 2.127 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 411 0.682 0.562 -8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 411 2.947 0.070 -9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 411 2.463 1.746 -10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 411 3.590 1.406 -8.814 1.00 0.00 H new ATOM 0 HG21 VAL A 411 2.084 -1.085 -7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 411 2.686 0.203 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 411 0.966 -0.253 -6.685 1.00 0.00 H new ATOM 774 N LEU A 412 2.222 2.917 -5.669 1.00 0.00 N ATOM 775 CA LEU A 412 3.287 3.398 -4.800 1.00 0.00 C ATOM 776 C LEU A 412 3.878 2.260 -3.972 1.00 0.00 C ATOM 777 O LEU A 412 4.997 2.365 -3.470 1.00 0.00 O ATOM 778 CB LEU A 412 2.759 4.493 -3.874 1.00 0.00 C ATOM 779 CG LEU A 412 3.804 5.517 -3.423 1.00 0.00 C ATOM 780 CD1 LEU A 412 3.783 6.735 -4.332 1.00 0.00 C ATOM 781 CD2 LEU A 412 3.561 5.925 -1.977 1.00 0.00 C ATOM 0 H LEU A 412 1.348 2.707 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 412 4.075 3.809 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 412 1.951 5.020 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 412 2.327 4.024 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 412 4.789 5.056 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 412 4.532 7.452 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 412 4.005 6.430 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 412 2.797 7.198 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 412 4.313 6.653 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 412 2.569 6.368 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 412 3.627 5.046 -1.335 1.00 0.00 H new ATOM 793 N GLY A 413 3.121 1.176 -3.826 1.00 0.00 N ATOM 794 CA GLY A 413 3.598 0.046 -3.048 1.00 0.00 C ATOM 795 C GLY A 413 3.032 -1.280 -3.521 1.00 0.00 C ATOM 796 O GLY A 413 1.839 -1.542 -3.376 1.00 0.00 O ATOM 0 H GLY A 413 2.192 1.060 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 413 4.686 0.010 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 413 3.334 0.195 -2.001 1.00 0.00 H new ATOM 800 N THR A 414 3.895 -2.121 -4.082 1.00 0.00 N ATOM 801 CA THR A 414 3.484 -3.428 -4.574 1.00 0.00 C ATOM 802 C THR A 414 4.179 -4.539 -3.792 1.00 0.00 C ATOM 803 O THR A 414 5.392 -4.496 -3.582 1.00 0.00 O ATOM 804 CB THR A 414 3.805 -3.550 -6.063 1.00 0.00 C ATOM 805 OG1 THR A 414 3.068 -2.601 -6.814 1.00 0.00 O ATOM 806 CG2 THR A 414 3.507 -4.919 -6.636 1.00 0.00 C ATOM 0 H THR A 414 4.887 -1.918 -4.207 1.00 0.00 H new ATOM 0 HA THR A 414 2.408 -3.530 -4.433 1.00 0.00 H new ATOM 0 HB THR A 414 4.877 -3.371 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 414 2.109 -2.755 -6.685 1.00 0.00 H new ATOM 0 HG21 THR A 414 3.759 -4.932 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 414 4.100 -5.669 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 414 2.447 -5.143 -6.512 1.00 0.00 H new ATOM 814 N GLY A 415 3.407 -5.532 -3.358 1.00 0.00 N ATOM 815 CA GLY A 415 3.976 -6.633 -2.602 1.00 0.00 C ATOM 816 C GLY A 415 3.160 -7.908 -2.715 1.00 0.00 C ATOM 817 O GLY A 415 1.940 -7.863 -2.870 1.00 0.00 O ATOM 0 H GLY A 415 2.401 -5.593 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 415 4.990 -6.824 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 415 4.051 -6.347 -1.553 1.00 0.00 H new ATOM 821 N VAL A 416 3.840 -9.048 -2.635 1.00 0.00 N ATOM 822 CA VAL A 416 3.186 -10.343 -2.727 1.00 0.00 C ATOM 823 C VAL A 416 2.895 -10.904 -1.338 1.00 0.00 C ATOM 824 O VAL A 416 3.465 -10.453 -0.345 1.00 0.00 O ATOM 825 CB VAL A 416 4.063 -11.343 -3.500 1.00 0.00 C ATOM 826 CG1 VAL A 416 3.335 -12.662 -3.703 1.00 0.00 C ATOM 827 CG2 VAL A 416 4.497 -10.755 -4.835 1.00 0.00 C ATOM 0 H VAL A 416 4.851 -9.097 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 416 2.246 -10.199 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 416 4.956 -11.540 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 416 3.977 -13.351 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 416 3.085 -13.093 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 416 2.420 -12.489 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.116 -11.477 -5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 416 3.616 -10.522 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.070 -9.844 -4.662 1.00 0.00 H new ATOM 837 N GLY A 417 2.005 -11.889 -1.277 1.00 0.00 N ATOM 838 CA GLY A 417 1.656 -12.494 -0.005 1.00 0.00 C ATOM 839 C GLY A 417 0.822 -13.748 -0.170 1.00 0.00 C ATOM 840 O GLY A 417 0.202 -13.956 -1.213 1.00 0.00 O ATOM 0 H GLY A 417 1.520 -12.279 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.568 -12.737 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.106 -11.772 0.599 1.00 0.00 H new ATOM 844 N ARG A 418 0.803 -14.585 0.864 1.00 0.00 N ATOM 845 CA ARG A 418 0.036 -15.826 0.829 1.00 0.00 C ATOM 846 C ARG A 418 -1.438 -15.542 0.562 1.00 0.00 C ATOM 847 O ARG A 418 -2.133 -16.345 -0.062 1.00 0.00 O ATOM 848 CB ARG A 418 0.190 -16.583 2.150 1.00 0.00 C ATOM 849 CG ARG A 418 1.478 -17.388 2.243 1.00 0.00 C ATOM 850 CD ARG A 418 2.380 -16.876 3.354 1.00 0.00 C ATOM 851 NE ARG A 418 3.795 -16.996 3.011 1.00 0.00 N ATOM 852 CZ ARG A 418 4.430 -18.158 2.880 1.00 0.00 C ATOM 853 NH1 ARG A 418 3.781 -19.301 3.062 1.00 0.00 N ATOM 854 NH2 ARG A 418 5.718 -18.178 2.568 1.00 0.00 N ATOM 0 H ARG A 418 1.309 -14.426 1.735 1.00 0.00 H new ATOM 0 HA ARG A 418 0.424 -16.443 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 418 0.156 -15.870 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -0.659 -17.255 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.240 -18.437 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 418 2.008 -17.339 1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 418 2.144 -15.832 3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 418 2.180 -17.434 4.269 1.00 0.00 H new ATOM 0 HE ARG A 418 4.327 -16.139 2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 418 2.790 -19.292 3.304 1.00 0.00 H new ATOM 0 HH12 ARG A 418 4.273 -20.189 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 418 6.223 -17.303 2.428 1.00 0.00 H new ATOM 0 HH22 ARG A 418 6.205 -19.069 2.468 1.00 0.00 H new ATOM 866 N ASN A 419 -1.907 -14.393 1.036 1.00 0.00 N ATOM 867 CA ASN A 419 -3.297 -13.997 0.846 1.00 0.00 C ATOM 868 C ASN A 419 -3.419 -12.478 0.769 1.00 0.00 C ATOM 869 O ASN A 419 -2.415 -11.766 0.744 1.00 0.00 O ATOM 870 CB ASN A 419 -4.163 -14.537 1.987 1.00 0.00 C ATOM 871 CG ASN A 419 -3.740 -14.002 3.342 1.00 0.00 C ATOM 872 OD1 ASN A 419 -3.399 -12.828 3.480 1.00 0.00 O ATOM 873 ND2 ASN A 419 -3.759 -14.864 4.352 1.00 0.00 N ATOM 0 H ASN A 419 -1.344 -13.719 1.555 1.00 0.00 H new ATOM 0 HA ASN A 419 -3.648 -14.420 -0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -5.205 -14.272 1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -4.108 -15.626 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -3.484 -14.561 5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -4.049 -15.829 4.193 1.00 0.00 H new ATOM 880 N ILE A 420 -4.654 -11.988 0.730 1.00 0.00 N ATOM 881 CA ILE A 420 -4.901 -10.555 0.653 1.00 0.00 C ATOM 882 C ILE A 420 -4.368 -9.840 1.890 1.00 0.00 C ATOM 883 O ILE A 420 -3.893 -8.708 1.808 1.00 0.00 O ATOM 884 CB ILE A 420 -6.404 -10.247 0.505 1.00 0.00 C ATOM 885 CG1 ILE A 420 -7.026 -11.110 -0.588 1.00 0.00 C ATOM 886 CG2 ILE A 420 -6.616 -8.771 0.205 1.00 0.00 C ATOM 887 CD1 ILE A 420 -6.307 -10.992 -1.904 1.00 0.00 C ATOM 0 H ILE A 420 -5.497 -12.562 0.750 1.00 0.00 H new ATOM 0 HA ILE A 420 -4.376 -10.192 -0.231 1.00 0.00 H new ATOM 0 HB ILE A 420 -6.897 -10.483 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -7.021 -12.152 -0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -8.069 -10.823 -0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.682 -8.570 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.210 -8.172 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.108 -8.512 -0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -6.794 -11.628 -2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -6.335 -9.956 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -5.270 -11.306 -1.782 1.00 0.00 H new ATOM 899 N LYS A 421 -4.450 -10.511 3.033 1.00 0.00 N ATOM 900 CA LYS A 421 -3.975 -9.942 4.289 1.00 0.00 C ATOM 901 C LYS A 421 -2.469 -9.716 4.244 1.00 0.00 C ATOM 902 O LYS A 421 -1.993 -8.589 4.388 1.00 0.00 O ATOM 903 CB LYS A 421 -4.329 -10.861 5.458 1.00 0.00 C ATOM 904 CG LYS A 421 -4.510 -10.128 6.777 1.00 0.00 C ATOM 905 CD LYS A 421 -3.346 -10.381 7.723 1.00 0.00 C ATOM 906 CE LYS A 421 -3.651 -11.514 8.690 1.00 0.00 C ATOM 907 NZ LYS A 421 -3.095 -12.813 8.219 1.00 0.00 N ATOM 0 H LYS A 421 -4.841 -11.449 3.116 1.00 0.00 H new ATOM 0 HA LYS A 421 -4.467 -8.980 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -5.248 -11.398 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -3.544 -11.608 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -4.601 -9.058 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.439 -10.450 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -2.453 -10.623 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -3.127 -9.472 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -3.237 -11.276 9.670 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -4.730 -11.605 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -3.325 -13.559 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -3.509 -13.054 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -2.062 -12.735 8.125 1.00 0.00 H new ATOM 921 N ILE A 422 -1.729 -10.794 4.039 1.00 0.00 N ATOM 922 CA ILE A 422 -0.275 -10.724 3.970 1.00 0.00 C ATOM 923 C ILE A 422 0.170 -9.826 2.824 1.00 0.00 C ATOM 924 O ILE A 422 0.952 -8.894 3.015 1.00 0.00 O ATOM 925 CB ILE A 422 0.347 -12.128 3.798 1.00 0.00 C ATOM 926 CG1 ILE A 422 0.214 -12.928 5.095 1.00 0.00 C ATOM 927 CG2 ILE A 422 1.810 -12.028 3.384 1.00 0.00 C ATOM 928 CD1 ILE A 422 -1.162 -13.524 5.299 1.00 0.00 C ATOM 0 H ILE A 422 -2.111 -11.732 3.917 1.00 0.00 H new ATOM 0 HA ILE A 422 0.074 -10.301 4.912 1.00 0.00 H new ATOM 0 HB ILE A 422 -0.194 -12.647 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 422 0.952 -13.730 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 422 0.449 -12.279 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 422 2.225 -13.029 3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 422 1.884 -11.494 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 422 2.369 -11.489 4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -1.183 -14.077 6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -1.903 -12.725 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -1.392 -14.199 4.475 1.00 0.00 H new ATOM 940 N ALA A 423 -0.333 -10.115 1.631 1.00 0.00 N ATOM 941 CA ALA A 423 0.012 -9.339 0.446 1.00 0.00 C ATOM 942 C ALA A 423 -0.202 -7.849 0.683 1.00 0.00 C ATOM 943 O ALA A 423 0.647 -7.025 0.343 1.00 0.00 O ATOM 944 CB ALA A 423 -0.804 -9.806 -0.749 1.00 0.00 C ATOM 0 H ALA A 423 -0.982 -10.882 1.458 1.00 0.00 H new ATOM 0 HA ALA A 423 1.069 -9.499 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.535 -9.217 -1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.597 -10.859 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.865 -9.677 -0.537 1.00 0.00 H new ATOM 950 N GLY A 424 -1.341 -7.514 1.276 1.00 0.00 N ATOM 951 CA GLY A 424 -1.651 -6.126 1.559 1.00 0.00 C ATOM 952 C GLY A 424 -0.597 -5.474 2.430 1.00 0.00 C ATOM 953 O GLY A 424 -0.210 -4.329 2.195 1.00 0.00 O ATOM 0 H GLY A 424 -2.057 -8.180 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -1.738 -5.576 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.620 -6.065 2.055 1.00 0.00 H new ATOM 957 N ILE A 425 -0.122 -6.209 3.430 1.00 0.00 N ATOM 958 CA ILE A 425 0.902 -5.702 4.330 1.00 0.00 C ATOM 959 C ILE A 425 2.233 -5.568 3.600 1.00 0.00 C ATOM 960 O ILE A 425 3.007 -4.647 3.859 1.00 0.00 O ATOM 961 CB ILE A 425 1.082 -6.621 5.556 1.00 0.00 C ATOM 962 CG1 ILE A 425 -0.231 -6.736 6.330 1.00 0.00 C ATOM 963 CG2 ILE A 425 2.188 -6.098 6.463 1.00 0.00 C ATOM 964 CD1 ILE A 425 -0.451 -8.100 6.948 1.00 0.00 C ATOM 0 H ILE A 425 -0.432 -7.159 3.636 1.00 0.00 H new ATOM 0 HA ILE A 425 0.575 -4.722 4.677 1.00 0.00 H new ATOM 0 HB ILE A 425 1.368 -7.612 5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -0.246 -5.983 7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -1.060 -6.512 5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 425 2.298 -6.761 7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 425 3.126 -6.062 5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 425 1.932 -5.096 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -1.402 -8.109 7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -0.468 -8.856 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 425 0.358 -8.318 7.645 1.00 0.00 H new ATOM 976 N ARG A 426 2.488 -6.493 2.679 1.00 0.00 N ATOM 977 CA ARG A 426 3.721 -6.480 1.903 1.00 0.00 C ATOM 978 C ARG A 426 3.725 -5.313 0.924 1.00 0.00 C ATOM 979 O ARG A 426 4.719 -4.598 0.796 1.00 0.00 O ATOM 980 CB ARG A 426 3.893 -7.804 1.152 1.00 0.00 C ATOM 981 CG ARG A 426 5.158 -8.558 1.531 1.00 0.00 C ATOM 982 CD ARG A 426 4.841 -9.861 2.248 1.00 0.00 C ATOM 983 NE ARG A 426 5.908 -10.846 2.091 1.00 0.00 N ATOM 984 CZ ARG A 426 7.032 -10.844 2.804 1.00 0.00 C ATOM 985 NH1 ARG A 426 7.240 -9.911 3.724 1.00 0.00 N ATOM 986 NH2 ARG A 426 7.951 -11.777 2.596 1.00 0.00 N ATOM 0 H ARG A 426 1.856 -7.261 2.453 1.00 0.00 H new ATOM 0 HA ARG A 426 4.558 -6.357 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 426 3.029 -8.439 1.349 1.00 0.00 H new ATOM 0 HB3 ARG A 426 3.905 -7.605 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 426 5.739 -8.768 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 426 5.777 -7.931 2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 426 4.684 -9.662 3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 426 3.909 -10.271 1.859 1.00 0.00 H new ATOM 0 HE ARG A 426 5.784 -11.579 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 426 6.537 -9.191 3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 426 8.103 -9.914 4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 426 7.797 -12.496 1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 426 8.812 -11.775 3.142 1.00 0.00 H new ATOM 998 N ALA A 427 2.602 -5.121 0.242 1.00 0.00 N ATOM 999 CA ALA A 427 2.470 -4.033 -0.718 1.00 0.00 C ATOM 1000 C ALA A 427 2.634 -2.690 -0.024 1.00 0.00 C ATOM 1001 O ALA A 427 3.407 -1.838 -0.463 1.00 0.00 O ATOM 1002 CB ALA A 427 1.125 -4.112 -1.428 1.00 0.00 C ATOM 0 H ALA A 427 1.771 -5.704 0.336 1.00 0.00 H new ATOM 0 HA ALA A 427 3.258 -4.130 -1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.042 -3.292 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.048 -5.062 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.322 -4.038 -0.695 1.00 0.00 H new ATOM 1008 N ALA A 428 1.909 -2.516 1.074 1.00 0.00 N ATOM 1009 CA ALA A 428 1.981 -1.285 1.849 1.00 0.00 C ATOM 1010 C ALA A 428 3.377 -1.106 2.420 1.00 0.00 C ATOM 1011 O ALA A 428 3.939 -0.010 2.397 1.00 0.00 O ATOM 1012 CB ALA A 428 0.951 -1.303 2.968 1.00 0.00 C ATOM 0 H ALA A 428 1.264 -3.213 1.448 1.00 0.00 H new ATOM 0 HA ALA A 428 1.762 -0.445 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 428 1.017 -0.376 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -0.048 -1.396 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.145 -2.149 3.627 1.00 0.00 H new ATOM 1018 N GLU A 429 3.937 -2.200 2.921 1.00 0.00 N ATOM 1019 CA GLU A 429 5.277 -2.174 3.488 1.00 0.00 C ATOM 1020 C GLU A 429 6.290 -1.786 2.422 1.00 0.00 C ATOM 1021 O GLU A 429 7.226 -1.030 2.683 1.00 0.00 O ATOM 1022 CB GLU A 429 5.633 -3.535 4.087 1.00 0.00 C ATOM 1023 CG GLU A 429 5.185 -3.693 5.529 1.00 0.00 C ATOM 1024 CD GLU A 429 5.672 -4.985 6.155 1.00 0.00 C ATOM 1025 OE1 GLU A 429 5.351 -6.065 5.615 1.00 0.00 O ATOM 1026 OE2 GLU A 429 6.377 -4.917 7.184 1.00 0.00 O ATOM 0 H GLU A 429 3.484 -3.114 2.946 1.00 0.00 H new ATOM 0 HA GLU A 429 5.302 -1.430 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 429 5.177 -4.320 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 429 6.712 -3.677 4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 429 5.552 -2.850 6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 429 4.096 -3.661 5.573 1.00 0.00 H new ATOM 1033 N ASN A 430 6.084 -2.296 1.212 1.00 0.00 N ATOM 1034 CA ASN A 430 6.967 -1.987 0.095 1.00 0.00 C ATOM 1035 C ASN A 430 6.949 -0.489 -0.176 1.00 0.00 C ATOM 1036 O ASN A 430 7.960 0.101 -0.552 1.00 0.00 O ATOM 1037 CB ASN A 430 6.536 -2.757 -1.156 1.00 0.00 C ATOM 1038 CG ASN A 430 7.402 -3.974 -1.411 1.00 0.00 C ATOM 1039 OD1 ASN A 430 7.609 -4.800 -0.523 1.00 0.00 O ATOM 1040 ND2 ASN A 430 7.912 -4.092 -2.632 1.00 0.00 N ATOM 0 H ASN A 430 5.314 -2.924 0.981 1.00 0.00 H new ATOM 0 HA ASN A 430 7.982 -2.290 0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 430 5.497 -3.070 -1.047 1.00 0.00 H new ATOM 0 HB3 ASN A 430 6.581 -2.095 -2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 430 8.501 -4.892 -2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 430 7.714 -3.383 -3.338 1.00 0.00 H new ATOM 1047 N ALA A 431 5.786 0.120 0.036 1.00 0.00 N ATOM 1048 CA ALA A 431 5.626 1.552 -0.164 1.00 0.00 C ATOM 1049 C ALA A 431 6.397 2.325 0.899 1.00 0.00 C ATOM 1050 O ALA A 431 6.898 3.421 0.646 1.00 0.00 O ATOM 1051 CB ALA A 431 4.151 1.927 -0.136 1.00 0.00 C ATOM 0 H ALA A 431 4.941 -0.359 0.347 1.00 0.00 H new ATOM 0 HA ALA A 431 6.030 1.816 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 431 4.046 3.001 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 431 3.625 1.396 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 431 3.724 1.653 0.829 1.00 0.00 H new ATOM 1057 N LEU A 432 6.493 1.740 2.091 1.00 0.00 N ATOM 1058 CA LEU A 432 7.210 2.366 3.196 1.00 0.00 C ATOM 1059 C LEU A 432 8.719 2.262 2.990 1.00 0.00 C ATOM 1060 O LEU A 432 9.481 3.091 3.488 1.00 0.00 O ATOM 1061 CB LEU A 432 6.818 1.712 4.524 1.00 0.00 C ATOM 1062 CG LEU A 432 5.721 2.438 5.304 1.00 0.00 C ATOM 1063 CD1 LEU A 432 4.385 2.302 4.592 1.00 0.00 C ATOM 1064 CD2 LEU A 432 5.628 1.897 6.722 1.00 0.00 C ATOM 0 H LEU A 432 6.083 0.833 2.315 1.00 0.00 H new ATOM 0 HA LEU A 432 6.935 3.420 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 432 6.488 0.692 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 432 7.705 1.643 5.153 1.00 0.00 H new ATOM 0 HG LEU A 432 5.977 3.496 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 432 3.615 2.824 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 432 4.458 2.737 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 432 4.122 1.247 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 432 4.842 2.425 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 432 5.394 0.833 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 432 6.581 2.045 7.231 1.00 0.00 H new ATOM 1076 N ARG A 433 9.145 1.237 2.255 1.00 0.00 N ATOM 1077 CA ARG A 433 10.564 1.023 1.985 1.00 0.00 C ATOM 1078 C ARG A 433 11.196 2.262 1.363 1.00 0.00 C ATOM 1079 O ARG A 433 12.266 2.703 1.783 1.00 0.00 O ATOM 1080 CB ARG A 433 10.753 -0.180 1.058 1.00 0.00 C ATOM 1081 CG ARG A 433 10.558 -1.519 1.753 1.00 0.00 C ATOM 1082 CD ARG A 433 11.652 -2.509 1.379 1.00 0.00 C ATOM 1083 NE ARG A 433 12.539 -2.792 2.505 1.00 0.00 N ATOM 1084 CZ ARG A 433 13.754 -3.321 2.377 1.00 0.00 C ATOM 1085 NH1 ARG A 433 14.231 -3.623 1.175 1.00 0.00 N ATOM 1086 NH2 ARG A 433 14.496 -3.546 3.453 1.00 0.00 N ATOM 0 H ARG A 433 8.527 0.542 1.836 1.00 0.00 H new ATOM 0 HA ARG A 433 11.061 0.824 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 433 10.049 -0.104 0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 433 11.755 -0.145 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 433 10.553 -1.372 2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 433 9.586 -1.931 1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 433 11.198 -3.437 1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 433 12.235 -2.109 0.549 1.00 0.00 H new ATOM 0 HE ARG A 433 12.208 -2.571 3.444 1.00 0.00 H new ATOM 0 HH11 ARG A 433 13.666 -3.450 0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 433 15.163 -4.028 1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 433 14.136 -3.314 4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 433 15.427 -3.951 3.355 1.00 0.00 H new ATOM 1098 N ASP A 434 10.525 2.818 0.363 1.00 0.00 N ATOM 1099 CA ASP A 434 11.017 4.012 -0.317 1.00 0.00 C ATOM 1100 C ASP A 434 10.986 5.215 0.622 1.00 0.00 C ATOM 1101 O ASP A 434 10.122 6.082 0.507 1.00 0.00 O ATOM 1102 CB ASP A 434 10.177 4.299 -1.563 1.00 0.00 C ATOM 1103 CG ASP A 434 10.686 3.561 -2.786 1.00 0.00 C ATOM 1104 OD1 ASP A 434 11.913 3.575 -3.020 1.00 0.00 O ATOM 1105 OD2 ASP A 434 9.857 2.967 -3.508 1.00 0.00 O ATOM 0 H ASP A 434 9.639 2.463 0.004 1.00 0.00 H new ATOM 0 HA ASP A 434 12.048 3.833 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 434 9.142 4.013 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 434 10.180 5.371 -1.761 1.00 0.00 H new ATOM 1110 N LYS A 435 11.933 5.252 1.553 1.00 0.00 N ATOM 1111 CA LYS A 435 12.017 6.341 2.522 1.00 0.00 C ATOM 1112 C LYS A 435 12.023 7.700 1.833 1.00 0.00 C ATOM 1113 O LYS A 435 11.472 8.671 2.351 1.00 0.00 O ATOM 1114 CB LYS A 435 13.271 6.189 3.384 1.00 0.00 C ATOM 1115 CG LYS A 435 14.566 6.259 2.591 1.00 0.00 C ATOM 1116 CD LYS A 435 15.774 5.994 3.475 1.00 0.00 C ATOM 1117 CE LYS A 435 16.059 7.169 4.397 1.00 0.00 C ATOM 1118 NZ LYS A 435 17.441 7.120 4.948 1.00 0.00 N ATOM 0 H LYS A 435 12.655 4.539 1.658 1.00 0.00 H new ATOM 0 HA LYS A 435 11.134 6.287 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 435 13.277 6.971 4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 435 13.227 5.235 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 435 14.539 5.529 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 435 14.659 7.242 2.130 1.00 0.00 H new ATOM 0 HD2 LYS A 435 15.601 5.097 4.070 1.00 0.00 H new ATOM 0 HD3 LYS A 435 16.647 5.800 2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 435 15.919 8.102 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 435 15.341 7.169 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 17.595 7.938 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 17.567 6.242 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 18.127 7.146 4.167 1.00 0.00 H new ATOM 1132 N LYS A 436 12.642 7.766 0.661 1.00 0.00 N ATOM 1133 CA LYS A 436 12.708 9.010 -0.092 1.00 0.00 C ATOM 1134 C LYS A 436 11.315 9.451 -0.512 1.00 0.00 C ATOM 1135 O LYS A 436 10.839 10.514 -0.114 1.00 0.00 O ATOM 1136 CB LYS A 436 13.596 8.839 -1.324 1.00 0.00 C ATOM 1137 CG LYS A 436 14.993 8.335 -1.005 1.00 0.00 C ATOM 1138 CD LYS A 436 15.142 6.859 -1.340 1.00 0.00 C ATOM 1139 CE LYS A 436 16.151 6.179 -0.429 1.00 0.00 C ATOM 1140 NZ LYS A 436 17.454 5.953 -1.114 1.00 0.00 N ATOM 0 H LYS A 436 13.104 6.975 0.213 1.00 0.00 H new ATOM 0 HA LYS A 436 13.140 9.778 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 436 13.117 8.143 -2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 436 13.674 9.796 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 436 15.727 8.913 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 436 15.205 8.493 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 436 14.175 6.364 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 436 15.457 6.751 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 436 16.309 6.791 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 436 15.749 5.224 -0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 18.114 5.487 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 17.308 5.348 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 17.851 6.866 -1.415 1.00 0.00 H new ATOM 1154 N MET A 437 10.664 8.618 -1.310 1.00 0.00 N ATOM 1155 CA MET A 437 9.318 8.907 -1.782 1.00 0.00 C ATOM 1156 C MET A 437 8.345 8.965 -0.608 1.00 0.00 C ATOM 1157 O MET A 437 7.364 9.707 -0.638 1.00 0.00 O ATOM 1158 CB MET A 437 8.873 7.845 -2.793 1.00 0.00 C ATOM 1159 CG MET A 437 7.397 7.919 -3.155 1.00 0.00 C ATOM 1160 SD MET A 437 7.117 8.017 -4.935 1.00 0.00 S ATOM 1161 CE MET A 437 8.053 6.601 -5.505 1.00 0.00 C ATOM 0 H MET A 437 11.047 7.734 -1.645 1.00 0.00 H new ATOM 0 HA MET A 437 9.322 9.879 -2.276 1.00 0.00 H new ATOM 0 HB2 MET A 437 9.466 7.951 -3.702 1.00 0.00 H new ATOM 0 HB3 MET A 437 9.088 6.857 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 437 6.886 7.041 -2.759 1.00 0.00 H new ATOM 0 HG3 MET A 437 6.953 8.790 -2.674 1.00 0.00 H new ATOM 0 HE1 MET A 437 7.585 6.192 -6.401 1.00 0.00 H new ATOM 0 HE2 MET A 437 9.073 6.908 -5.736 1.00 0.00 H new ATOM 0 HE3 MET A 437 8.072 5.839 -4.725 1.00 0.00 H new ATOM 1171 N LEU A 438 8.630 8.181 0.428 1.00 0.00 N ATOM 1172 CA LEU A 438 7.785 8.149 1.612 1.00 0.00 C ATOM 1173 C LEU A 438 7.983 9.409 2.445 1.00 0.00 C ATOM 1174 O LEU A 438 7.038 9.930 3.037 1.00 0.00 O ATOM 1175 CB LEU A 438 8.098 6.911 2.454 1.00 0.00 C ATOM 1176 CG LEU A 438 6.985 6.486 3.411 1.00 0.00 C ATOM 1177 CD1 LEU A 438 6.780 7.539 4.489 1.00 0.00 C ATOM 1178 CD2 LEU A 438 5.693 6.245 2.644 1.00 0.00 C ATOM 0 H LEU A 438 9.439 7.561 0.469 1.00 0.00 H new ATOM 0 HA LEU A 438 6.745 8.104 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 438 8.318 6.080 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 438 9.002 7.102 3.033 1.00 0.00 H new ATOM 0 HG LEU A 438 7.278 5.554 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 438 5.984 7.221 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 438 7.704 7.666 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 438 6.505 8.486 4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 438 4.909 5.943 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 438 5.395 7.162 2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 438 5.849 5.457 1.907 1.00 0.00 H new ATOM 1190 N ASP A 439 9.217 9.897 2.480 1.00 0.00 N ATOM 1191 CA ASP A 439 9.539 11.099 3.237 1.00 0.00 C ATOM 1192 C ASP A 439 8.887 12.324 2.609 1.00 0.00 C ATOM 1193 O ASP A 439 8.391 13.204 3.310 1.00 0.00 O ATOM 1194 CB ASP A 439 11.054 11.294 3.311 1.00 0.00 C ATOM 1195 CG ASP A 439 11.445 12.498 4.146 1.00 0.00 C ATOM 1196 OD1 ASP A 439 11.127 12.510 5.353 1.00 0.00 O ATOM 1197 OD2 ASP A 439 12.070 13.426 3.592 1.00 0.00 O ATOM 0 H ASP A 439 10.010 9.479 1.993 1.00 0.00 H new ATOM 0 HA ASP A 439 9.148 10.977 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 439 11.512 10.399 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 439 11.452 11.411 2.303 1.00 0.00 H new ATOM 1202 N PHE A 440 8.889 12.371 1.282 1.00 0.00 N ATOM 1203 CA PHE A 440 8.298 13.489 0.551 1.00 0.00 C ATOM 1204 C PHE A 440 6.845 13.710 0.961 1.00 0.00 C ATOM 1205 O PHE A 440 6.390 14.848 1.081 1.00 0.00 O ATOM 1206 CB PHE A 440 8.378 13.234 -0.953 1.00 0.00 C ATOM 1207 CG PHE A 440 8.916 14.399 -1.733 1.00 0.00 C ATOM 1208 CD1 PHE A 440 10.243 14.783 -1.605 1.00 0.00 C ATOM 1209 CD2 PHE A 440 8.098 15.112 -2.594 1.00 0.00 C ATOM 1210 CE1 PHE A 440 10.741 15.854 -2.322 1.00 0.00 C ATOM 1211 CE2 PHE A 440 8.590 16.184 -3.314 1.00 0.00 C ATOM 1212 CZ PHE A 440 9.914 16.555 -3.178 1.00 0.00 C ATOM 0 H PHE A 440 9.294 11.647 0.688 1.00 0.00 H new ATOM 0 HA PHE A 440 8.863 14.388 0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 440 9.010 12.364 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.383 12.987 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 440 10.894 14.239 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 440 7.062 14.826 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 440 11.776 16.143 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 440 7.941 16.731 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 440 10.302 17.392 -3.740 1.00 0.00 H new ATOM 1222 N TYR A 441 6.122 12.618 1.175 1.00 0.00 N ATOM 1223 CA TYR A 441 4.727 12.694 1.572 1.00 0.00 C ATOM 1224 C TYR A 441 4.622 12.920 3.067 1.00 0.00 C ATOM 1225 O TYR A 441 3.899 13.802 3.524 1.00 0.00 O ATOM 1226 CB TYR A 441 3.995 11.413 1.179 1.00 0.00 C ATOM 1227 CG TYR A 441 3.531 11.398 -0.258 1.00 0.00 C ATOM 1228 CD1 TYR A 441 4.380 10.991 -1.279 1.00 0.00 C ATOM 1229 CD2 TYR A 441 2.244 11.792 -0.593 1.00 0.00 C ATOM 1230 CE1 TYR A 441 3.957 10.977 -2.595 1.00 0.00 C ATOM 1231 CE2 TYR A 441 1.812 11.781 -1.905 1.00 0.00 C ATOM 1232 CZ TYR A 441 2.672 11.373 -2.903 1.00 0.00 C ATOM 1233 OH TYR A 441 2.246 11.361 -4.211 1.00 0.00 O ATOM 0 H TYR A 441 6.482 11.668 1.079 1.00 0.00 H new ATOM 0 HA TYR A 441 4.261 13.534 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 441 4.654 10.561 1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 441 3.132 11.283 1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 441 5.387 10.681 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 441 1.568 12.113 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.629 10.658 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR A 441 0.806 12.090 -2.148 1.00 0.00 H new ATOM 0 HH TYR A 441 2.716 10.655 -4.702 1.00 0.00 H new ATOM 1243 N ALA A 442 5.353 12.120 3.828 1.00 0.00 N ATOM 1244 CA ALA A 442 5.345 12.237 5.276 1.00 0.00 C ATOM 1245 C ALA A 442 5.700 13.654 5.716 1.00 0.00 C ATOM 1246 O ALA A 442 5.238 14.122 6.757 1.00 0.00 O ATOM 1247 CB ALA A 442 6.298 11.227 5.897 1.00 0.00 C ATOM 0 H ALA A 442 5.959 11.383 3.466 1.00 0.00 H new ATOM 0 HA ALA A 442 4.336 12.022 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 442 6.279 11.329 6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 442 5.989 10.219 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 442 7.309 11.409 5.533 1.00 0.00 H new ATOM 1253 N LYS A 443 6.509 14.341 4.914 1.00 0.00 N ATOM 1254 CA LYS A 443 6.899 15.712 5.231 1.00 0.00 C ATOM 1255 C LYS A 443 5.839 16.701 4.749 1.00 0.00 C ATOM 1256 O LYS A 443 5.942 17.903 4.994 1.00 0.00 O ATOM 1257 CB LYS A 443 8.254 16.047 4.606 1.00 0.00 C ATOM 1258 CG LYS A 443 9.340 16.338 5.630 1.00 0.00 C ATOM 1259 CD LYS A 443 9.558 15.156 6.560 1.00 0.00 C ATOM 1260 CE LYS A 443 10.317 15.566 7.812 1.00 0.00 C ATOM 1261 NZ LYS A 443 9.546 16.536 8.637 1.00 0.00 N ATOM 0 H LYS A 443 6.904 13.975 4.048 1.00 0.00 H new ATOM 0 HA LYS A 443 6.985 15.795 6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 443 8.571 15.214 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 443 8.140 16.913 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 443 10.272 16.575 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 443 9.065 17.216 6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.595 14.729 6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 443 10.112 14.377 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 443 10.540 14.681 8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 443 11.272 16.009 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 9.892 16.510 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 9.669 17.494 8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.537 16.283 8.619 1.00 0.00 H new ATOM 1275 N GLN A 444 4.818 16.186 4.067 1.00 0.00 N ATOM 1276 CA GLN A 444 3.741 17.016 3.562 1.00 0.00 C ATOM 1277 C GLN A 444 2.440 16.685 4.286 1.00 0.00 C ATOM 1278 O GLN A 444 1.738 17.576 4.761 1.00 0.00 O ATOM 1279 CB GLN A 444 3.601 16.825 2.044 1.00 0.00 C ATOM 1280 CG GLN A 444 2.167 16.778 1.548 1.00 0.00 C ATOM 1281 CD GLN A 444 2.074 16.772 0.035 1.00 0.00 C ATOM 1282 OE1 GLN A 444 2.847 15.901 -0.603 1.00 0.00 O flip ATOM 1283 NE2 GLN A 444 1.315 17.542 -0.555 1.00 0.00 N flip ATOM 0 H GLN A 444 4.719 15.193 3.854 1.00 0.00 H new ATOM 0 HA GLN A 444 3.972 18.064 3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 444 4.121 17.638 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 444 4.102 15.900 1.759 1.00 0.00 H new ATOM 0 HG2 GLN A 444 1.679 15.886 1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 444 1.623 17.638 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 444 0.738 18.195 -0.025 1.00 0.00 H new ATOM 0 HE22 GLN A 444 1.263 17.526 -1.574 1.00 0.00 H new ATOM 1292 N ARG A 445 2.129 15.396 4.379 1.00 0.00 N ATOM 1293 CA ARG A 445 0.918 14.953 5.059 1.00 0.00 C ATOM 1294 C ARG A 445 1.001 15.257 6.549 1.00 0.00 C ATOM 1295 O ARG A 445 0.060 15.787 7.142 1.00 0.00 O ATOM 1296 CB ARG A 445 0.699 13.453 4.847 1.00 0.00 C ATOM 1297 CG ARG A 445 -0.765 13.043 4.905 1.00 0.00 C ATOM 1298 CD ARG A 445 -1.039 12.095 6.060 1.00 0.00 C ATOM 1299 NE ARG A 445 -1.400 12.814 7.281 1.00 0.00 N ATOM 1300 CZ ARG A 445 -2.427 12.494 8.065 1.00 0.00 C ATOM 1301 NH1 ARG A 445 -3.205 11.456 7.775 1.00 0.00 N ATOM 1302 NH2 ARG A 445 -2.680 13.214 9.149 1.00 0.00 N ATOM 0 H ARG A 445 2.697 14.642 3.993 1.00 0.00 H new ATOM 0 HA ARG A 445 0.073 15.495 4.634 1.00 0.00 H new ATOM 0 HB2 ARG A 445 1.111 13.166 3.880 1.00 0.00 H new ATOM 0 HB3 ARG A 445 1.254 12.901 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -1.388 13.932 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -1.046 12.564 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -1.846 11.414 5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 445 -0.156 11.484 6.246 1.00 0.00 H new ATOM 0 HE ARG A 445 -0.827 13.614 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -3.018 10.895 6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -3.989 11.221 8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -2.088 14.012 9.381 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -3.467 12.970 9.751 1.00 0.00 H new ATOM 1314 N ALA A 446 2.138 14.922 7.145 1.00 0.00 N ATOM 1315 CA ALA A 446 2.359 15.160 8.566 1.00 0.00 C ATOM 1316 C ALA A 446 2.622 16.638 8.836 1.00 0.00 C ATOM 1317 O ALA A 446 2.352 17.138 9.927 1.00 0.00 O ATOM 1318 CB ALA A 446 3.523 14.318 9.065 1.00 0.00 C ATOM 0 H ALA A 446 2.924 14.483 6.665 1.00 0.00 H new ATOM 0 HA ALA A 446 1.457 14.871 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 446 3.678 14.505 10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 446 3.301 13.262 8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 446 4.426 14.583 8.515 1.00 0.00 H new