USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 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 37:sc= -4.41! USER MOD Set 1.2: A 404 CYS SG : rot 106:sc= 0.652 USER MOD Set 2.1: A 380 TYR OH : rot -152:sc= 1.07 USER MOD Set 2.2: A 444 GLN : amide:sc= -2.98! C(o=-1.9!,f=-1.7!) USER MOD Single : A 369 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.65) 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 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 389 THR OG1 : rot -1:sc= 0.988 USER MOD Single : A 399 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.02) USER MOD Single : A 400 SER OG : rot -120:sc= -0.857 USER MOD Single : A 410 THR OG1 : rot 38:sc= 0.0781 USER MOD Single : A 414 THR OG1 : rot -144:sc= -2.42! USER MOD Single : A 419 ASN : amide:sc= -3.96! C(o=-4!,f=-8!) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.61) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc=-0.00908 (180deg=-0.00908) USER MOD Single : A 437 MET CE :methyl -107:sc= -0.0177 (180deg=-0.634) USER MOD Single : A 441 TYR OH : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ASN A 369 -3.473 -2.651 8.859 1.00 0.00 N ATOM 103 CA ASN A 369 -2.233 -2.229 9.492 1.00 0.00 C ATOM 104 C ASN A 369 -1.383 -1.377 8.554 1.00 0.00 C ATOM 105 O ASN A 369 -1.406 -0.148 8.626 1.00 0.00 O ATOM 106 CB ASN A 369 -1.459 -3.458 9.946 1.00 0.00 C ATOM 107 CG ASN A 369 -1.701 -3.786 11.403 1.00 0.00 C ATOM 108 OD1 ASN A 369 -1.063 -3.226 12.295 1.00 0.00 O ATOM 109 ND2 ASN A 369 -2.629 -4.700 11.650 1.00 0.00 N ATOM 0 HA ASN A 369 -2.478 -1.610 10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -1.745 -4.312 9.332 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -0.394 -3.293 9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -2.840 -4.966 12.612 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -3.132 -5.137 10.878 1.00 0.00 H new ATOM 116 N ALA A 370 -0.633 -2.034 7.679 1.00 0.00 N ATOM 117 CA ALA A 370 0.227 -1.341 6.729 1.00 0.00 C ATOM 118 C ALA A 370 -0.529 -0.230 6.006 1.00 0.00 C ATOM 119 O ALA A 370 0.035 0.822 5.703 1.00 0.00 O ATOM 120 CB ALA A 370 0.801 -2.333 5.731 1.00 0.00 C ATOM 0 H ALA A 370 -0.603 -3.051 7.608 1.00 0.00 H new ATOM 0 HA ALA A 370 1.045 -0.879 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 370 1.443 -1.808 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 370 1.385 -3.086 6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -0.012 -2.818 5.191 1.00 0.00 H new ATOM 126 N LYS A 371 -1.809 -0.468 5.741 1.00 0.00 N ATOM 127 CA LYS A 371 -2.641 0.519 5.063 1.00 0.00 C ATOM 128 C LYS A 371 -2.905 1.711 5.975 1.00 0.00 C ATOM 129 O LYS A 371 -3.117 2.828 5.504 1.00 0.00 O ATOM 130 CB LYS A 371 -3.965 -0.112 4.622 1.00 0.00 C ATOM 131 CG LYS A 371 -4.908 0.861 3.931 1.00 0.00 C ATOM 132 CD LYS A 371 -6.358 0.585 4.295 1.00 0.00 C ATOM 133 CE LYS A 371 -6.741 1.257 5.604 1.00 0.00 C ATOM 134 NZ LYS A 371 -7.693 0.430 6.396 1.00 0.00 N ATOM 0 H LYS A 371 -2.292 -1.333 5.984 1.00 0.00 H new ATOM 0 HA LYS A 371 -2.108 0.869 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -3.754 -0.941 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.466 -0.531 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -4.649 1.882 4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -4.782 0.786 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -7.009 0.942 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -6.515 -0.490 4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -5.843 1.441 6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -7.190 2.228 5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -7.929 0.923 7.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -8.561 0.275 5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -7.255 -0.487 6.617 1.00 0.00 H new ATOM 148 N ARG A 372 -2.879 1.470 7.281 1.00 0.00 N ATOM 149 CA ARG A 372 -3.106 2.530 8.254 1.00 0.00 C ATOM 150 C ARG A 372 -1.845 3.365 8.422 1.00 0.00 C ATOM 151 O ARG A 372 -1.909 4.574 8.643 1.00 0.00 O ATOM 152 CB ARG A 372 -3.530 1.940 9.600 1.00 0.00 C ATOM 153 CG ARG A 372 -4.945 1.381 9.602 1.00 0.00 C ATOM 154 CD ARG A 372 -4.961 -0.100 9.942 1.00 0.00 C ATOM 155 NE ARG A 372 -6.009 -0.815 9.219 1.00 0.00 N ATOM 156 CZ ARG A 372 -7.293 -0.802 9.569 1.00 0.00 C ATOM 157 NH1 ARG A 372 -7.691 -0.114 10.632 1.00 0.00 N ATOM 158 NH2 ARG A 372 -8.182 -1.479 8.855 1.00 0.00 N ATOM 0 H ARG A 372 -2.703 0.552 7.689 1.00 0.00 H new ATOM 0 HA ARG A 372 -3.908 3.171 7.888 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -2.835 1.147 9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -3.452 2.712 10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -5.552 1.927 10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -5.399 1.535 8.623 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -3.992 -0.538 9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -5.111 -0.224 11.014 1.00 0.00 H new ATOM 0 HE ARG A 372 -5.741 -1.356 8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -7.012 0.408 11.185 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -8.676 -0.108 10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -7.882 -2.010 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -9.166 -1.469 9.123 1.00 0.00 H new ATOM 170 N GLN A 373 -0.697 2.708 8.302 1.00 0.00 N ATOM 171 CA GLN A 373 0.585 3.383 8.426 1.00 0.00 C ATOM 172 C GLN A 373 0.843 4.251 7.200 1.00 0.00 C ATOM 173 O GLN A 373 1.294 5.389 7.314 1.00 0.00 O ATOM 174 CB GLN A 373 1.710 2.359 8.589 1.00 0.00 C ATOM 175 CG GLN A 373 2.407 2.435 9.936 1.00 0.00 C ATOM 176 CD GLN A 373 3.511 3.473 9.964 1.00 0.00 C ATOM 177 OE1 GLN A 373 3.451 4.440 10.725 1.00 0.00 O ATOM 178 NE2 GLN A 373 4.528 3.279 9.134 1.00 0.00 N ATOM 0 H GLN A 373 -0.630 1.707 8.119 1.00 0.00 H new ATOM 0 HA GLN A 373 0.559 4.020 9.310 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.301 1.357 8.456 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.446 2.510 7.799 1.00 0.00 H new ATOM 0 HG2 GLN A 373 1.674 2.669 10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.825 1.458 10.180 1.00 0.00 H new ATOM 0 HE21 GLN A 373 4.537 2.464 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 373 5.300 3.945 9.109 1.00 0.00 H new ATOM 187 N LEU A 374 0.552 3.695 6.031 1.00 0.00 N ATOM 188 CA LEU A 374 0.746 4.401 4.773 1.00 0.00 C ATOM 189 C LEU A 374 -0.193 5.597 4.659 1.00 0.00 C ATOM 190 O LEU A 374 0.189 6.651 4.154 1.00 0.00 O ATOM 191 CB LEU A 374 0.520 3.442 3.604 1.00 0.00 C ATOM 192 CG LEU A 374 1.079 3.903 2.259 1.00 0.00 C ATOM 193 CD1 LEU A 374 2.595 4.002 2.318 1.00 0.00 C ATOM 194 CD2 LEU A 374 0.648 2.950 1.154 1.00 0.00 C ATOM 0 H LEU A 374 0.179 2.751 5.929 1.00 0.00 H new ATOM 0 HA LEU A 374 1.769 4.775 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 374 0.968 2.480 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -0.552 3.276 3.495 1.00 0.00 H new ATOM 0 HG LEU A 374 0.680 4.893 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 374 2.976 4.332 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 374 2.883 4.720 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 374 3.014 3.025 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 374 1.053 3.291 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 374 1.022 1.949 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -0.440 2.927 1.098 1.00 0.00 H new ATOM 206 N TYR A 375 -1.424 5.430 5.128 1.00 0.00 N ATOM 207 CA TYR A 375 -2.410 6.501 5.070 1.00 0.00 C ATOM 208 C TYR A 375 -2.089 7.594 6.083 1.00 0.00 C ATOM 209 O TYR A 375 -2.370 8.769 5.852 1.00 0.00 O ATOM 210 CB TYR A 375 -3.812 5.948 5.325 1.00 0.00 C ATOM 211 CG TYR A 375 -4.881 6.583 4.465 1.00 0.00 C ATOM 212 CD1 TYR A 375 -5.440 7.807 4.809 1.00 0.00 C ATOM 213 CD2 TYR A 375 -5.329 5.959 3.308 1.00 0.00 C ATOM 214 CE1 TYR A 375 -6.418 8.389 4.025 1.00 0.00 C ATOM 215 CE2 TYR A 375 -6.304 6.535 2.519 1.00 0.00 C ATOM 216 CZ TYR A 375 -6.846 7.750 2.881 1.00 0.00 C ATOM 217 OH TYR A 375 -7.819 8.327 2.098 1.00 0.00 O ATOM 0 H TYR A 375 -1.762 4.566 5.551 1.00 0.00 H new ATOM 0 HA TYR A 375 -2.376 6.936 4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -3.807 4.873 5.148 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -4.066 6.097 6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -5.105 8.312 5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -4.907 5.007 3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -6.845 9.340 4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -6.641 6.036 1.622 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.006 7.749 1.329 1.00 0.00 H new ATOM 227 N SER A 376 -1.500 7.198 7.204 1.00 0.00 N ATOM 228 CA SER A 376 -1.143 8.146 8.252 1.00 0.00 C ATOM 229 C SER A 376 0.214 8.791 7.976 1.00 0.00 C ATOM 230 O SER A 376 0.584 9.772 8.621 1.00 0.00 O ATOM 231 CB SER A 376 -1.120 7.448 9.612 1.00 0.00 C ATOM 232 OG SER A 376 -2.375 7.552 10.261 1.00 0.00 O ATOM 0 H SER A 376 -1.260 6.229 7.411 1.00 0.00 H new ATOM 0 HA SER A 376 -1.898 8.932 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 376 -0.861 6.397 9.480 1.00 0.00 H new ATOM 0 HB3 SER A 376 -0.346 7.891 10.238 1.00 0.00 H new ATOM 0 HG SER A 376 -2.334 7.096 11.128 1.00 0.00 H new ATOM 238 N LEU A 377 0.960 8.233 7.023 1.00 0.00 N ATOM 239 CA LEU A 377 2.275 8.760 6.684 1.00 0.00 C ATOM 240 C LEU A 377 2.250 9.562 5.386 1.00 0.00 C ATOM 241 O LEU A 377 3.039 10.492 5.215 1.00 0.00 O ATOM 242 CB LEU A 377 3.293 7.622 6.571 1.00 0.00 C ATOM 243 CG LEU A 377 4.204 7.448 7.787 1.00 0.00 C ATOM 244 CD1 LEU A 377 3.396 7.023 9.003 1.00 0.00 C ATOM 245 CD2 LEU A 377 5.302 6.438 7.490 1.00 0.00 C ATOM 0 H LEU A 377 0.675 7.420 6.476 1.00 0.00 H new ATOM 0 HA LEU A 377 2.571 9.434 7.488 1.00 0.00 H new ATOM 0 HB2 LEU A 377 2.755 6.689 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 377 3.914 7.796 5.692 1.00 0.00 H new ATOM 0 HG LEU A 377 4.672 8.407 8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 377 4.061 6.904 9.858 1.00 0.00 H new ATOM 0 HD12 LEU A 377 2.649 7.784 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 377 2.898 6.076 8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.941 6.327 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.854 5.476 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.899 6.787 6.648 1.00 0.00 H new ATOM 257 N ILE A 378 1.360 9.200 4.463 1.00 0.00 N ATOM 258 CA ILE A 378 1.283 9.905 3.190 1.00 0.00 C ATOM 259 C ILE A 378 -0.157 10.218 2.780 1.00 0.00 C ATOM 260 O ILE A 378 -0.417 11.235 2.139 1.00 0.00 O ATOM 261 CB ILE A 378 1.982 9.108 2.067 1.00 0.00 C ATOM 262 CG1 ILE A 378 1.234 7.809 1.762 1.00 0.00 C ATOM 263 CG2 ILE A 378 3.420 8.807 2.458 1.00 0.00 C ATOM 264 CD1 ILE A 378 1.526 7.263 0.384 1.00 0.00 C ATOM 0 H ILE A 378 0.694 8.435 4.572 1.00 0.00 H new ATOM 0 HA ILE A 378 1.802 10.852 3.335 1.00 0.00 H new ATOM 0 HB ILE A 378 1.977 9.719 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 378 1.502 7.060 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 378 0.162 7.984 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 378 3.904 8.245 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 378 3.956 9.742 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 378 3.432 8.218 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 378 0.964 6.341 0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 378 1.232 7.996 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 378 2.593 7.057 0.293 1.00 0.00 H new ATOM 276 N GLY A 379 -1.090 9.345 3.150 1.00 0.00 N ATOM 277 CA GLY A 379 -2.482 9.563 2.801 1.00 0.00 C ATOM 278 C GLY A 379 -3.067 10.788 3.479 1.00 0.00 C ATOM 279 O GLY A 379 -3.432 10.738 4.653 1.00 0.00 O ATOM 0 H GLY A 379 -0.908 8.495 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.569 9.674 1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -3.065 8.685 3.079 1.00 0.00 H new ATOM 283 N TYR A 380 -3.160 11.891 2.738 1.00 0.00 N ATOM 284 CA TYR A 380 -3.709 13.128 3.282 1.00 0.00 C ATOM 285 C TYR A 380 -5.123 13.379 2.765 1.00 0.00 C ATOM 286 O TYR A 380 -5.991 13.836 3.508 1.00 0.00 O ATOM 287 CB TYR A 380 -2.812 14.327 2.945 1.00 0.00 C ATOM 288 CG TYR A 380 -2.023 14.176 1.662 1.00 0.00 C ATOM 289 CD1 TYR A 380 -2.653 14.212 0.424 1.00 0.00 C ATOM 290 CD2 TYR A 380 -0.647 14.001 1.692 1.00 0.00 C ATOM 291 CE1 TYR A 380 -1.930 14.078 -0.747 1.00 0.00 C ATOM 292 CE2 TYR A 380 0.082 13.865 0.529 1.00 0.00 C ATOM 293 CZ TYR A 380 -0.563 13.904 -0.690 1.00 0.00 C ATOM 294 OH TYR A 380 0.160 13.770 -1.852 1.00 0.00 O ATOM 0 H TYR A 380 -2.863 11.952 1.764 1.00 0.00 H new ATOM 0 HA TYR A 380 -3.749 13.015 4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -3.432 15.220 2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.116 14.488 3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -3.723 14.347 0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -0.137 13.971 2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -2.433 14.109 -1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 380 1.152 13.729 0.572 1.00 0.00 H new ATOM 0 HH TYR A 380 0.963 13.236 -1.678 1.00 0.00 H new ATOM 304 N ALA A 381 -5.348 13.079 1.489 1.00 0.00 N ATOM 305 CA ALA A 381 -6.659 13.274 0.877 1.00 0.00 C ATOM 306 C ALA A 381 -6.636 12.899 -0.600 1.00 0.00 C ATOM 307 O ALA A 381 -7.129 11.841 -0.989 1.00 0.00 O ATOM 308 CB ALA A 381 -7.116 14.717 1.047 1.00 0.00 C ATOM 0 H ALA A 381 -4.641 12.700 0.859 1.00 0.00 H new ATOM 0 HA ALA A 381 -7.367 12.618 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -8.095 14.845 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -7.182 14.955 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -6.399 15.384 0.569 1.00 0.00 H new ATOM 314 N SER A 382 -6.058 13.773 -1.422 1.00 0.00 N ATOM 315 CA SER A 382 -5.968 13.531 -2.858 1.00 0.00 C ATOM 316 C SER A 382 -5.376 12.154 -3.142 1.00 0.00 C ATOM 317 O SER A 382 -5.696 11.526 -4.152 1.00 0.00 O ATOM 318 CB SER A 382 -5.117 14.614 -3.527 1.00 0.00 C ATOM 319 OG SER A 382 -5.931 15.617 -4.107 1.00 0.00 O ATOM 0 H SER A 382 -5.645 14.655 -1.117 1.00 0.00 H new ATOM 0 HA SER A 382 -6.976 13.565 -3.271 1.00 0.00 H new ATOM 0 HB2 SER A 382 -4.450 15.063 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 382 -4.487 14.164 -4.294 1.00 0.00 H new ATOM 0 HG SER A 382 -5.363 16.297 -4.526 1.00 0.00 H new ATOM 325 N LEU A 383 -4.518 11.689 -2.241 1.00 0.00 N ATOM 326 CA LEU A 383 -3.886 10.385 -2.387 1.00 0.00 C ATOM 327 C LEU A 383 -4.856 9.271 -2.009 1.00 0.00 C ATOM 328 O LEU A 383 -4.834 8.773 -0.884 1.00 0.00 O ATOM 329 CB LEU A 383 -2.630 10.304 -1.516 1.00 0.00 C ATOM 330 CG LEU A 383 -1.601 9.260 -1.954 1.00 0.00 C ATOM 331 CD1 LEU A 383 -0.410 9.260 -1.008 1.00 0.00 C ATOM 332 CD2 LEU A 383 -2.234 7.879 -2.014 1.00 0.00 C ATOM 0 H LEU A 383 -4.244 12.198 -1.400 1.00 0.00 H new ATOM 0 HA LEU A 383 -3.602 10.258 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -2.150 11.283 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.931 10.087 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.249 9.520 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.313 8.512 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 383 0.059 10.244 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -0.747 9.024 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 383 -1.487 7.150 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -2.613 7.609 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -3.056 7.886 -2.729 1.00 0.00 H new ATOM 344 N ARG A 384 -5.704 8.887 -2.955 1.00 0.00 N ATOM 345 CA ARG A 384 -6.681 7.831 -2.722 1.00 0.00 C ATOM 346 C ARG A 384 -5.986 6.483 -2.560 1.00 0.00 C ATOM 347 O ARG A 384 -6.064 5.622 -3.436 1.00 0.00 O ATOM 348 CB ARG A 384 -7.685 7.772 -3.876 1.00 0.00 C ATOM 349 CG ARG A 384 -9.010 8.447 -3.563 1.00 0.00 C ATOM 350 CD ARG A 384 -9.982 7.489 -2.891 1.00 0.00 C ATOM 351 NE ARG A 384 -10.818 6.787 -3.864 1.00 0.00 N ATOM 352 CZ ARG A 384 -10.559 5.566 -4.332 1.00 0.00 C ATOM 353 NH1 ARG A 384 -9.489 4.896 -3.919 1.00 0.00 N ATOM 354 NH2 ARG A 384 -11.377 5.013 -5.216 1.00 0.00 N ATOM 0 H ARG A 384 -5.735 9.291 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 384 -7.218 8.057 -1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 384 -7.245 8.244 -4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 384 -7.870 6.729 -4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -8.837 9.305 -2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 384 -9.452 8.828 -4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 384 -9.425 6.762 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 384 -10.617 8.042 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 384 -11.653 7.262 -4.207 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -8.856 5.315 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -9.300 3.962 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -12.201 5.521 -5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -11.182 4.079 -5.576 1.00 0.00 H new ATOM 366 N LEU A 385 -5.302 6.308 -1.433 1.00 0.00 N ATOM 367 CA LEU A 385 -4.587 5.067 -1.152 1.00 0.00 C ATOM 368 C LEU A 385 -5.517 3.862 -1.275 1.00 0.00 C ATOM 369 O LEU A 385 -6.332 3.601 -0.389 1.00 0.00 O ATOM 370 CB LEU A 385 -3.969 5.115 0.248 1.00 0.00 C ATOM 371 CG LEU A 385 -3.340 3.804 0.724 1.00 0.00 C ATOM 372 CD1 LEU A 385 -2.178 4.080 1.662 1.00 0.00 C ATOM 373 CD2 LEU A 385 -4.382 2.929 1.405 1.00 0.00 C ATOM 0 H LEU A 385 -5.228 7.011 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.790 4.961 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -3.206 5.893 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -4.741 5.409 0.959 1.00 0.00 H new ATOM 0 HG LEU A 385 -2.958 3.269 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -1.743 3.136 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.421 4.666 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -2.534 4.636 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.917 2.001 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -4.794 3.456 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -5.183 2.702 0.701 1.00 0.00 H new ATOM 385 N HIS A 386 -5.388 3.133 -2.379 1.00 0.00 N ATOM 386 CA HIS A 386 -6.213 1.956 -2.619 1.00 0.00 C ATOM 387 C HIS A 386 -5.352 0.768 -3.037 1.00 0.00 C ATOM 388 O HIS A 386 -4.344 0.932 -3.722 1.00 0.00 O ATOM 389 CB HIS A 386 -7.259 2.249 -3.696 1.00 0.00 C ATOM 390 CG HIS A 386 -8.491 1.408 -3.577 1.00 0.00 C ATOM 391 ND1 HIS A 386 -8.710 0.280 -4.341 1.00 0.00 N ATOM 392 CD2 HIS A 386 -9.575 1.533 -2.775 1.00 0.00 C ATOM 393 CE1 HIS A 386 -9.875 -0.250 -4.015 1.00 0.00 C ATOM 394 NE2 HIS A 386 -10.419 0.490 -3.068 1.00 0.00 N ATOM 0 H HIS A 386 -4.719 3.337 -3.122 1.00 0.00 H new ATOM 0 HA HIS A 386 -6.723 1.704 -1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 386 -7.540 3.301 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 386 -6.813 2.089 -4.678 1.00 0.00 H new ATOM 0 HD2 HIS A 386 -9.744 2.308 -2.042 1.00 0.00 H new ATOM 0 HE1 HIS A 386 -10.309 -1.138 -4.450 1.00 0.00 H new ATOM 0 HE2 HIS A 386 -11.321 0.316 -2.625 1.00 0.00 H new ATOM 403 N TYR A 387 -5.755 -0.426 -2.616 1.00 0.00 N ATOM 404 CA TYR A 387 -5.018 -1.638 -2.946 1.00 0.00 C ATOM 405 C TYR A 387 -5.828 -2.545 -3.863 1.00 0.00 C ATOM 406 O TYR A 387 -6.943 -2.949 -3.532 1.00 0.00 O ATOM 407 CB TYR A 387 -4.632 -2.387 -1.671 1.00 0.00 C ATOM 408 CG TYR A 387 -3.436 -1.788 -0.972 1.00 0.00 C ATOM 409 CD1 TYR A 387 -3.510 -0.526 -0.397 1.00 0.00 C ATOM 410 CD2 TYR A 387 -2.232 -2.474 -0.899 1.00 0.00 C ATOM 411 CE1 TYR A 387 -2.417 0.034 0.233 1.00 0.00 C ATOM 412 CE2 TYR A 387 -1.135 -1.921 -0.269 1.00 0.00 C ATOM 413 CZ TYR A 387 -1.232 -0.666 0.294 1.00 0.00 C ATOM 414 OH TYR A 387 -0.141 -0.108 0.916 1.00 0.00 O ATOM 0 H TYR A 387 -6.587 -0.579 -2.046 1.00 0.00 H new ATOM 0 HA TYR A 387 -4.111 -1.345 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -5.481 -2.390 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -4.418 -3.427 -1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -4.437 0.026 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -2.152 -3.456 -1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.490 1.016 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -0.206 -2.469 -0.217 1.00 0.00 H new ATOM 0 HH TYR A 387 -0.436 0.402 1.699 1.00 0.00 H new ATOM 424 N VAL A 388 -5.256 -2.859 -5.020 1.00 0.00 N ATOM 425 CA VAL A 388 -5.915 -3.712 -5.994 1.00 0.00 C ATOM 426 C VAL A 388 -5.051 -4.923 -6.334 1.00 0.00 C ATOM 427 O VAL A 388 -3.964 -4.783 -6.894 1.00 0.00 O ATOM 428 CB VAL A 388 -6.227 -2.933 -7.285 1.00 0.00 C ATOM 429 CG1 VAL A 388 -6.904 -3.830 -8.313 1.00 0.00 C ATOM 430 CG2 VAL A 388 -7.090 -1.718 -6.979 1.00 0.00 C ATOM 0 H VAL A 388 -4.333 -2.532 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 388 -6.849 -4.054 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 388 -5.284 -2.588 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 388 -7.114 -3.256 -9.215 1.00 0.00 H new ATOM 0 HG12 VAL A 388 -6.246 -4.664 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 388 -7.838 -4.214 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 388 -7.301 -1.179 -7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 388 -8.027 -2.042 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 388 -6.561 -1.061 -6.288 1.00 0.00 H new ATOM 440 N THR A 389 -5.541 -6.110 -5.994 1.00 0.00 N ATOM 441 CA THR A 389 -4.812 -7.343 -6.269 1.00 0.00 C ATOM 442 C THR A 389 -4.730 -7.594 -7.771 1.00 0.00 C ATOM 443 O THR A 389 -5.750 -7.775 -8.436 1.00 0.00 O ATOM 444 CB THR A 389 -5.486 -8.529 -5.574 1.00 0.00 C ATOM 445 OG1 THR A 389 -6.626 -8.953 -6.299 1.00 0.00 O ATOM 446 CG2 THR A 389 -5.929 -8.222 -4.160 1.00 0.00 C ATOM 0 H THR A 389 -6.438 -6.245 -5.528 1.00 0.00 H new ATOM 0 HA THR A 389 -3.800 -7.236 -5.878 1.00 0.00 H new ATOM 0 HB THR A 389 -4.728 -9.311 -5.538 1.00 0.00 H new ATOM 0 HG1 THR A 389 -6.748 -8.377 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 389 -6.398 -9.105 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 389 -5.063 -7.940 -3.561 1.00 0.00 H new ATOM 0 HG23 THR A 389 -6.645 -7.400 -4.173 1.00 0.00 H new ATOM 594 N ASN A 399 1.819 -16.600 -6.044 1.00 0.00 N ATOM 595 CA ASN A 399 1.198 -16.143 -4.807 1.00 0.00 C ATOM 596 C ASN A 399 0.185 -15.033 -5.086 1.00 0.00 C ATOM 597 O ASN A 399 -0.297 -14.888 -6.210 1.00 0.00 O ATOM 598 CB ASN A 399 2.265 -15.646 -3.821 1.00 0.00 C ATOM 599 CG ASN A 399 3.652 -16.178 -4.130 1.00 0.00 C ATOM 600 OD1 ASN A 399 4.128 -17.114 -3.489 1.00 0.00 O ATOM 601 ND2 ASN A 399 4.307 -15.577 -5.116 1.00 0.00 N ATOM 0 HA ASN A 399 0.673 -16.987 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 399 2.288 -14.556 -3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 399 1.985 -15.943 -2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 399 5.245 -15.888 -5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 399 3.872 -14.804 -5.620 1.00 0.00 H new ATOM 608 N SER A 400 -0.135 -14.250 -4.057 1.00 0.00 N ATOM 609 CA SER A 400 -1.087 -13.155 -4.191 1.00 0.00 C ATOM 610 C SER A 400 -0.359 -11.825 -4.336 1.00 0.00 C ATOM 611 O SER A 400 0.108 -11.253 -3.353 1.00 0.00 O ATOM 612 CB SER A 400 -2.014 -13.107 -2.975 1.00 0.00 C ATOM 613 OG SER A 400 -2.970 -14.152 -3.019 1.00 0.00 O ATOM 0 H SER A 400 0.254 -14.356 -3.120 1.00 0.00 H new ATOM 0 HA SER A 400 -1.682 -13.328 -5.088 1.00 0.00 H new ATOM 0 HB2 SER A 400 -1.425 -13.188 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 400 -2.524 -12.145 -2.941 1.00 0.00 H new ATOM 0 HG SER A 400 -3.872 -13.770 -3.030 1.00 0.00 H new ATOM 619 N ILE A 401 -0.262 -11.338 -5.568 1.00 0.00 N ATOM 620 CA ILE A 401 0.415 -10.076 -5.831 1.00 0.00 C ATOM 621 C ILE A 401 -0.572 -8.910 -5.815 1.00 0.00 C ATOM 622 O ILE A 401 -1.600 -8.946 -6.492 1.00 0.00 O ATOM 623 CB ILE A 401 1.165 -10.113 -7.183 1.00 0.00 C ATOM 624 CG1 ILE A 401 2.350 -9.144 -7.161 1.00 0.00 C ATOM 625 CG2 ILE A 401 0.229 -9.791 -8.341 1.00 0.00 C ATOM 626 CD1 ILE A 401 1.957 -7.712 -6.869 1.00 0.00 C ATOM 0 H ILE A 401 -0.642 -11.796 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 401 1.145 -9.928 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 401 1.544 -11.124 -7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 401 3.066 -9.476 -6.409 1.00 0.00 H new ATOM 0 HG13 ILE A 401 2.858 -9.183 -8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 401 0.785 -9.825 -9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 401 -0.578 -10.523 -8.371 1.00 0.00 H new ATOM 0 HG23 ILE A 401 -0.190 -8.794 -8.203 1.00 0.00 H new ATOM 0 HD11 ILE A 401 2.847 -7.083 -6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 401 1.265 -7.361 -7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 401 1.476 -7.659 -5.893 1.00 0.00 H new ATOM 638 N VAL A 402 -0.253 -7.879 -5.041 1.00 0.00 N ATOM 639 CA VAL A 402 -1.110 -6.707 -4.943 1.00 0.00 C ATOM 640 C VAL A 402 -0.321 -5.429 -5.199 1.00 0.00 C ATOM 641 O VAL A 402 0.896 -5.390 -5.018 1.00 0.00 O ATOM 642 CB VAL A 402 -1.788 -6.618 -3.563 1.00 0.00 C ATOM 643 CG1 VAL A 402 -2.785 -5.469 -3.526 1.00 0.00 C ATOM 644 CG2 VAL A 402 -2.468 -7.935 -3.219 1.00 0.00 C ATOM 0 H VAL A 402 0.593 -7.832 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.881 -6.812 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 402 -1.020 -6.423 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 402 -3.252 -5.424 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 402 -2.267 -4.531 -3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -3.551 -5.628 -4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 402 -2.942 -7.855 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 402 -3.224 -8.162 -3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 402 -1.726 -8.733 -3.198 1.00 0.00 H new ATOM 654 N GLU A 403 -1.023 -4.386 -5.627 1.00 0.00 N ATOM 655 CA GLU A 403 -0.391 -3.106 -5.914 1.00 0.00 C ATOM 656 C GLU A 403 -1.197 -1.951 -5.332 1.00 0.00 C ATOM 657 O GLU A 403 -2.419 -1.900 -5.471 1.00 0.00 O ATOM 658 CB GLU A 403 -0.232 -2.920 -7.423 1.00 0.00 C ATOM 659 CG GLU A 403 0.772 -3.871 -8.054 1.00 0.00 C ATOM 660 CD GLU A 403 1.119 -3.492 -9.480 1.00 0.00 C ATOM 661 OE1 GLU A 403 1.427 -2.305 -9.720 1.00 0.00 O ATOM 662 OE2 GLU A 403 1.084 -4.380 -10.356 1.00 0.00 O ATOM 0 H GLU A 403 -2.031 -4.403 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 403 0.594 -3.107 -5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 403 -1.201 -3.060 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 403 0.077 -1.894 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 403 1.682 -3.883 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 403 0.367 -4.883 -8.039 1.00 0.00 H new ATOM 669 N CYS A 404 -0.503 -1.025 -4.682 1.00 0.00 N ATOM 670 CA CYS A 404 -1.146 0.135 -4.081 1.00 0.00 C ATOM 671 C CYS A 404 -1.099 1.325 -5.030 1.00 0.00 C ATOM 672 O CYS A 404 -0.030 1.875 -5.296 1.00 0.00 O ATOM 673 CB CYS A 404 -0.465 0.496 -2.759 1.00 0.00 C ATOM 674 SG CYS A 404 -1.154 1.955 -1.943 1.00 0.00 S ATOM 0 H CYS A 404 0.509 -1.056 -4.558 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.189 -0.116 -3.885 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -0.539 -0.354 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 404 0.596 0.664 -2.944 1.00 0.00 H new ATOM 0 HG CYS A 404 -1.858 1.585 -0.915 1.00 0.00 H new ATOM 680 N ARG A 405 -2.261 1.724 -5.535 1.00 0.00 N ATOM 681 CA ARG A 405 -2.347 2.850 -6.450 1.00 0.00 C ATOM 682 C ARG A 405 -2.908 4.072 -5.742 1.00 0.00 C ATOM 683 O ARG A 405 -3.833 3.965 -4.936 1.00 0.00 O ATOM 684 CB ARG A 405 -3.220 2.497 -7.654 1.00 0.00 C ATOM 685 CG ARG A 405 -2.754 1.260 -8.404 1.00 0.00 C ATOM 686 CD ARG A 405 -3.732 0.871 -9.500 1.00 0.00 C ATOM 687 NE ARG A 405 -3.124 -0.019 -10.485 1.00 0.00 N ATOM 688 CZ ARG A 405 -2.297 0.390 -11.444 1.00 0.00 C ATOM 689 NH1 ARG A 405 -1.977 1.674 -11.551 1.00 0.00 N ATOM 690 NH2 ARG A 405 -1.787 -0.486 -12.299 1.00 0.00 N ATOM 0 H ARG A 405 -3.156 1.282 -5.324 1.00 0.00 H new ATOM 0 HA ARG A 405 -1.341 3.080 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -4.245 2.342 -7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -3.236 3.343 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -1.773 1.446 -8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -2.640 0.431 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -4.599 0.382 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -4.094 1.770 -9.999 1.00 0.00 H new ATOM 0 HE ARG A 405 -3.346 -1.013 -10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -2.366 2.353 -10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -1.343 1.982 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -2.029 -1.474 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -1.153 -0.172 -13.034 1.00 0.00 H new ATOM 702 N VAL A 406 -2.342 5.231 -6.041 1.00 0.00 N ATOM 703 CA VAL A 406 -2.789 6.471 -5.424 1.00 0.00 C ATOM 704 C VAL A 406 -3.875 7.143 -6.257 1.00 0.00 C ATOM 705 O VAL A 406 -4.178 6.709 -7.369 1.00 0.00 O ATOM 706 CB VAL A 406 -1.621 7.456 -5.223 1.00 0.00 C ATOM 707 CG1 VAL A 406 -0.568 6.854 -4.305 1.00 0.00 C ATOM 708 CG2 VAL A 406 -1.010 7.848 -6.560 1.00 0.00 C ATOM 0 H VAL A 406 -1.575 5.339 -6.705 1.00 0.00 H new ATOM 0 HA VAL A 406 -3.199 6.206 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 406 -2.011 8.358 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 406 0.249 7.563 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -1.014 6.632 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 406 -0.183 5.935 -4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 406 -0.187 8.544 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 406 -0.636 6.957 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -1.769 8.324 -7.181 1.00 0.00 H new ATOM 744 N THR A 410 -0.971 6.262 -9.690 1.00 0.00 N ATOM 745 CA THR A 410 0.446 5.936 -9.599 1.00 0.00 C ATOM 746 C THR A 410 0.707 4.946 -8.469 1.00 0.00 C ATOM 747 O THR A 410 0.436 5.235 -7.303 1.00 0.00 O ATOM 748 CB THR A 410 1.269 7.207 -9.378 1.00 0.00 C ATOM 749 OG1 THR A 410 1.067 8.126 -10.437 1.00 0.00 O ATOM 750 CG2 THR A 410 2.757 6.950 -9.272 1.00 0.00 C ATOM 0 HA THR A 410 0.747 5.473 -10.539 1.00 0.00 H new ATOM 0 HB THR A 410 0.920 7.613 -8.429 1.00 0.00 H new ATOM 0 HG1 THR A 410 0.130 8.096 -10.722 1.00 0.00 H new ATOM 0 HG21 THR A 410 3.279 7.894 -9.116 1.00 0.00 H new ATOM 0 HG22 THR A 410 2.952 6.284 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 410 3.113 6.486 -10.192 1.00 0.00 H new ATOM 758 N VAL A 411 1.236 3.778 -8.820 1.00 0.00 N ATOM 759 CA VAL A 411 1.534 2.749 -7.832 1.00 0.00 C ATOM 760 C VAL A 411 2.692 3.173 -6.937 1.00 0.00 C ATOM 761 O VAL A 411 3.817 3.355 -7.402 1.00 0.00 O ATOM 762 CB VAL A 411 1.876 1.404 -8.503 1.00 0.00 C ATOM 763 CG1 VAL A 411 3.106 1.540 -9.386 1.00 0.00 C ATOM 764 CG2 VAL A 411 2.079 0.317 -7.457 1.00 0.00 C ATOM 0 H VAL A 411 1.467 3.521 -9.780 1.00 0.00 H new ATOM 0 HA VAL A 411 0.638 2.620 -7.226 1.00 0.00 H new ATOM 0 HB VAL A 411 1.036 1.115 -9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 411 3.329 0.579 -9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 411 2.917 2.282 -10.162 1.00 0.00 H new ATOM 0 HG13 VAL A 411 3.955 1.857 -8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 411 2.319 -0.624 -7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 411 2.898 0.598 -6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 411 1.165 0.197 -6.874 1.00 0.00 H new ATOM 774 N LEU A 412 2.405 3.334 -5.650 1.00 0.00 N ATOM 775 CA LEU A 412 3.417 3.744 -4.688 1.00 0.00 C ATOM 776 C LEU A 412 3.920 2.557 -3.871 1.00 0.00 C ATOM 777 O LEU A 412 5.008 2.607 -3.297 1.00 0.00 O ATOM 778 CB LEU A 412 2.852 4.811 -3.752 1.00 0.00 C ATOM 779 CG LEU A 412 3.868 5.842 -3.261 1.00 0.00 C ATOM 780 CD1 LEU A 412 3.871 7.060 -4.171 1.00 0.00 C ATOM 781 CD2 LEU A 412 3.567 6.246 -1.825 1.00 0.00 C ATOM 0 H LEU A 412 1.478 3.186 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 412 4.258 4.157 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.046 5.334 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 412 2.411 4.317 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 412 4.860 5.390 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 412 4.600 7.784 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 412 4.135 6.757 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 412 2.880 7.514 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 412 4.300 6.980 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 412 2.569 6.680 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 412 3.616 5.367 -1.182 1.00 0.00 H new ATOM 793 N GLY A 413 3.125 1.492 -3.816 1.00 0.00 N ATOM 794 CA GLY A 413 3.521 0.320 -3.055 1.00 0.00 C ATOM 795 C GLY A 413 3.064 -0.980 -3.685 1.00 0.00 C ATOM 796 O GLY A 413 1.871 -1.281 -3.712 1.00 0.00 O ATOM 0 H GLY A 413 2.220 1.419 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 413 4.607 0.307 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 413 3.111 0.393 -2.048 1.00 0.00 H new ATOM 800 N THR A 414 4.019 -1.756 -4.188 1.00 0.00 N ATOM 801 CA THR A 414 3.720 -3.035 -4.816 1.00 0.00 C ATOM 802 C THR A 414 4.387 -4.176 -4.050 1.00 0.00 C ATOM 803 O THR A 414 5.594 -4.153 -3.815 1.00 0.00 O ATOM 804 CB THR A 414 4.196 -3.026 -6.270 1.00 0.00 C ATOM 805 OG1 THR A 414 3.466 -2.077 -7.028 1.00 0.00 O ATOM 806 CG2 THR A 414 4.060 -4.368 -6.960 1.00 0.00 C ATOM 0 H THR A 414 5.011 -1.518 -4.172 1.00 0.00 H new ATOM 0 HA THR A 414 2.641 -3.191 -4.796 1.00 0.00 H new ATOM 0 HB THR A 414 5.254 -2.770 -6.224 1.00 0.00 H new ATOM 0 HG1 THR A 414 3.325 -2.421 -7.935 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.416 -4.287 -7.987 1.00 0.00 H new ATOM 0 HG22 THR A 414 4.653 -5.112 -6.428 1.00 0.00 H new ATOM 0 HG23 THR A 414 3.013 -4.672 -6.962 1.00 0.00 H new ATOM 814 N GLY A 415 3.593 -5.170 -3.660 1.00 0.00 N ATOM 815 CA GLY A 415 4.135 -6.298 -2.923 1.00 0.00 C ATOM 816 C GLY A 415 3.278 -7.541 -3.045 1.00 0.00 C ATOM 817 O GLY A 415 2.080 -7.455 -3.312 1.00 0.00 O ATOM 0 H GLY A 415 2.590 -5.214 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 415 5.139 -6.516 -3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 415 4.229 -6.028 -1.871 1.00 0.00 H new ATOM 821 N VAL A 416 3.895 -8.702 -2.849 1.00 0.00 N ATOM 822 CA VAL A 416 3.185 -9.969 -2.936 1.00 0.00 C ATOM 823 C VAL A 416 2.825 -10.495 -1.558 1.00 0.00 C ATOM 824 O VAL A 416 3.099 -9.864 -0.538 1.00 0.00 O ATOM 825 CB VAL A 416 4.014 -11.032 -3.695 1.00 0.00 C ATOM 826 CG1 VAL A 416 4.872 -11.861 -2.745 1.00 0.00 C ATOM 827 CG2 VAL A 416 3.112 -11.926 -4.533 1.00 0.00 C ATOM 0 H VAL A 416 4.887 -8.789 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 416 2.267 -9.779 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 416 4.690 -10.502 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 416 5.439 -12.597 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 416 5.561 -11.206 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 416 4.230 -12.374 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 416 3.718 -12.665 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 416 2.400 -12.435 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 416 2.571 -11.319 -5.259 1.00 0.00 H new ATOM 837 N GLY A 417 2.210 -11.662 -1.552 1.00 0.00 N ATOM 838 CA GLY A 417 1.809 -12.287 -0.305 1.00 0.00 C ATOM 839 C GLY A 417 1.031 -13.570 -0.519 1.00 0.00 C ATOM 840 O GLY A 417 0.664 -13.899 -1.645 1.00 0.00 O ATOM 0 H GLY A 417 1.978 -12.194 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.696 -12.500 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.199 -11.588 0.268 1.00 0.00 H new ATOM 844 N ARG A 418 0.779 -14.295 0.565 1.00 0.00 N ATOM 845 CA ARG A 418 0.038 -15.548 0.492 1.00 0.00 C ATOM 846 C ARG A 418 -1.410 -15.298 0.083 1.00 0.00 C ATOM 847 O ARG A 418 -2.033 -16.130 -0.577 1.00 0.00 O ATOM 848 CB ARG A 418 0.083 -16.273 1.838 1.00 0.00 C ATOM 849 CG ARG A 418 1.495 -16.524 2.348 1.00 0.00 C ATOM 850 CD ARG A 418 1.674 -17.957 2.824 1.00 0.00 C ATOM 851 NE ARG A 418 2.425 -18.029 4.075 1.00 0.00 N ATOM 852 CZ ARG A 418 3.020 -19.133 4.521 1.00 0.00 C ATOM 853 NH1 ARG A 418 2.954 -20.259 3.821 1.00 0.00 N ATOM 854 NH2 ARG A 418 3.683 -19.112 5.669 1.00 0.00 N ATOM 0 H ARG A 418 1.077 -14.036 1.505 1.00 0.00 H new ATOM 0 HA ARG A 418 0.508 -16.176 -0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.462 -15.685 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -0.436 -17.227 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 418 2.212 -16.312 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 418 1.714 -15.838 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 418 0.696 -18.418 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 418 2.192 -18.532 2.057 1.00 0.00 H new ATOM 0 HE ARG A 418 2.498 -17.183 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 418 2.446 -20.281 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 418 3.412 -21.102 4.167 1.00 0.00 H new ATOM 0 HH21 ARG A 418 3.737 -18.250 6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 418 4.139 -19.958 6.010 1.00 0.00 H new ATOM 866 N ASN A 419 -1.940 -14.146 0.482 1.00 0.00 N ATOM 867 CA ASN A 419 -3.314 -13.782 0.158 1.00 0.00 C ATOM 868 C ASN A 419 -3.481 -12.266 0.131 1.00 0.00 C ATOM 869 O ASN A 419 -2.518 -11.523 0.319 1.00 0.00 O ATOM 870 CB ASN A 419 -4.286 -14.398 1.169 1.00 0.00 C ATOM 871 CG ASN A 419 -3.767 -14.329 2.593 1.00 0.00 C ATOM 872 OD1 ASN A 419 -2.760 -14.950 2.930 1.00 0.00 O ATOM 873 ND2 ASN A 419 -4.458 -13.570 3.437 1.00 0.00 N ATOM 0 H ASN A 419 -1.438 -13.448 1.031 1.00 0.00 H new ATOM 0 HA ASN A 419 -3.542 -14.174 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -5.243 -13.880 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -4.470 -15.439 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -4.159 -13.485 4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -5.288 -13.073 3.113 1.00 0.00 H new ATOM 880 N ILE A 420 -4.709 -11.814 -0.105 1.00 0.00 N ATOM 881 CA ILE A 420 -4.999 -10.385 -0.157 1.00 0.00 C ATOM 882 C ILE A 420 -4.608 -9.697 1.147 1.00 0.00 C ATOM 883 O ILE A 420 -4.194 -8.537 1.148 1.00 0.00 O ATOM 884 CB ILE A 420 -6.491 -10.123 -0.440 1.00 0.00 C ATOM 885 CG1 ILE A 420 -6.937 -10.885 -1.689 1.00 0.00 C ATOM 886 CG2 ILE A 420 -6.750 -8.631 -0.606 1.00 0.00 C ATOM 887 CD1 ILE A 420 -7.594 -12.213 -1.383 1.00 0.00 C ATOM 0 H ILE A 420 -5.518 -12.415 -0.263 1.00 0.00 H new ATOM 0 HA ILE A 420 -4.407 -9.971 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 420 -7.072 -10.480 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -7.634 -10.265 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -6.072 -11.056 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.809 -8.465 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.467 -8.109 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.160 -8.250 -1.440 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -7.885 -12.698 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -6.892 -12.851 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -8.479 -12.048 -0.768 1.00 0.00 H new ATOM 899 N LYS A 421 -4.741 -10.417 2.255 1.00 0.00 N ATOM 900 CA LYS A 421 -4.403 -9.874 3.566 1.00 0.00 C ATOM 901 C LYS A 421 -2.907 -9.607 3.677 1.00 0.00 C ATOM 902 O LYS A 421 -2.482 -8.472 3.901 1.00 0.00 O ATOM 903 CB LYS A 421 -4.842 -10.837 4.671 1.00 0.00 C ATOM 904 CG LYS A 421 -5.328 -10.137 5.929 1.00 0.00 C ATOM 905 CD LYS A 421 -6.425 -10.930 6.621 1.00 0.00 C ATOM 906 CE LYS A 421 -6.854 -10.268 7.921 1.00 0.00 C ATOM 907 NZ LYS A 421 -6.173 -10.870 9.101 1.00 0.00 N ATOM 0 H LYS A 421 -5.081 -11.379 2.272 1.00 0.00 H new ATOM 0 HA LYS A 421 -4.933 -8.929 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -5.639 -11.476 4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.006 -11.488 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -4.492 -9.997 6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.701 -9.145 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -7.284 -11.021 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -6.072 -11.941 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -6.630 -9.202 7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -7.934 -10.362 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.492 -10.391 9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -6.407 -11.882 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -5.144 -10.758 9.003 1.00 0.00 H new ATOM 921 N ILE A 422 -2.115 -10.657 3.518 1.00 0.00 N ATOM 922 CA ILE A 422 -0.664 -10.544 3.599 1.00 0.00 C ATOM 923 C ILE A 422 -0.123 -9.654 2.487 1.00 0.00 C ATOM 924 O ILE A 422 0.632 -8.715 2.741 1.00 0.00 O ATOM 925 CB ILE A 422 0.014 -11.931 3.527 1.00 0.00 C ATOM 926 CG1 ILE A 422 -0.198 -12.695 4.836 1.00 0.00 C ATOM 927 CG2 ILE A 422 1.503 -11.792 3.232 1.00 0.00 C ATOM 928 CD1 ILE A 422 -1.654 -12.951 5.160 1.00 0.00 C ATOM 0 H ILE A 422 -2.453 -11.601 3.331 1.00 0.00 H new ATOM 0 HA ILE A 422 -0.430 -10.091 4.563 1.00 0.00 H new ATOM 0 HB ILE A 422 -0.445 -12.493 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 422 0.326 -13.649 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 422 0.254 -12.132 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 422 1.959 -12.781 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 422 1.639 -11.285 2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 422 1.978 -11.210 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -1.727 -13.496 6.101 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -2.179 -12.000 5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -2.106 -13.541 4.363 1.00 0.00 H new ATOM 940 N ALA A 423 -0.511 -9.956 1.255 1.00 0.00 N ATOM 941 CA ALA A 423 -0.062 -9.181 0.104 1.00 0.00 C ATOM 942 C ALA A 423 -0.288 -7.691 0.327 1.00 0.00 C ATOM 943 O ALA A 423 0.499 -6.857 -0.121 1.00 0.00 O ATOM 944 CB ALA A 423 -0.770 -9.644 -1.160 1.00 0.00 C ATOM 0 H ALA A 423 -1.134 -10.730 1.026 1.00 0.00 H new ATOM 0 HA ALA A 423 1.009 -9.346 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.422 -9.055 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.550 -10.697 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.846 -9.513 -1.043 1.00 0.00 H new ATOM 950 N GLY A 424 -1.364 -7.364 1.036 1.00 0.00 N ATOM 951 CA GLY A 424 -1.669 -5.976 1.320 1.00 0.00 C ATOM 952 C GLY A 424 -0.648 -5.355 2.250 1.00 0.00 C ATOM 953 O GLY A 424 -0.063 -4.317 1.940 1.00 0.00 O ATOM 0 H GLY A 424 -2.029 -8.036 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -1.701 -5.413 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.660 -5.906 1.769 1.00 0.00 H new ATOM 957 N ILE A 425 -0.429 -5.999 3.391 1.00 0.00 N ATOM 958 CA ILE A 425 0.536 -5.516 4.368 1.00 0.00 C ATOM 959 C ILE A 425 1.942 -5.503 3.770 1.00 0.00 C ATOM 960 O ILE A 425 2.794 -4.711 4.178 1.00 0.00 O ATOM 961 CB ILE A 425 0.520 -6.386 5.647 1.00 0.00 C ATOM 962 CG1 ILE A 425 -0.845 -6.293 6.340 1.00 0.00 C ATOM 963 CG2 ILE A 425 1.633 -5.969 6.603 1.00 0.00 C ATOM 964 CD1 ILE A 425 -1.609 -7.598 6.343 1.00 0.00 C ATOM 0 H ILE A 425 -0.908 -6.858 3.661 1.00 0.00 H new ATOM 0 HA ILE A 425 0.252 -4.499 4.639 1.00 0.00 H new ATOM 0 HB ILE A 425 0.693 -7.422 5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -0.700 -5.964 7.369 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -1.445 -5.531 5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 425 1.601 -6.595 7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 425 2.598 -6.087 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 425 1.496 -4.926 6.888 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -2.564 -7.459 6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -1.785 -7.919 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -1.029 -8.358 6.866 1.00 0.00 H new ATOM 976 N ARG A 426 2.176 -6.382 2.799 1.00 0.00 N ATOM 977 CA ARG A 426 3.475 -6.471 2.143 1.00 0.00 C ATOM 978 C ARG A 426 3.679 -5.309 1.178 1.00 0.00 C ATOM 979 O ARG A 426 4.731 -4.670 1.173 1.00 0.00 O ATOM 980 CB ARG A 426 3.604 -7.802 1.397 1.00 0.00 C ATOM 981 CG ARG A 426 4.429 -8.840 2.141 1.00 0.00 C ATOM 982 CD ARG A 426 5.874 -8.393 2.308 1.00 0.00 C ATOM 983 NE ARG A 426 6.816 -9.354 1.736 1.00 0.00 N ATOM 984 CZ ARG A 426 7.147 -9.393 0.446 1.00 0.00 C ATOM 985 NH1 ARG A 426 6.615 -8.531 -0.411 1.00 0.00 N ATOM 986 NH2 ARG A 426 8.015 -10.298 0.013 1.00 0.00 N ATOM 0 H ARG A 426 1.482 -7.043 2.450 1.00 0.00 H new ATOM 0 HA ARG A 426 4.246 -6.419 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 426 2.608 -8.205 1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 426 4.057 -7.620 0.423 1.00 0.00 H new ATOM 0 HG2 ARG A 426 3.988 -9.021 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 426 4.400 -9.785 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 426 6.011 -7.423 1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 426 6.092 -8.259 3.368 1.00 0.00 H new ATOM 0 HE ARG A 426 7.245 -10.035 2.362 1.00 0.00 H new ATOM 0 HH11 ARG A 426 5.948 -7.832 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 426 6.873 -8.567 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 426 8.428 -10.963 0.667 1.00 0.00 H new ATOM 0 HH22 ARG A 426 8.269 -10.329 -0.974 1.00 0.00 H new ATOM 998 N ALA A 427 2.665 -5.041 0.364 1.00 0.00 N ATOM 999 CA ALA A 427 2.732 -3.952 -0.606 1.00 0.00 C ATOM 1000 C ALA A 427 3.003 -2.626 0.090 1.00 0.00 C ATOM 1001 O ALA A 427 3.919 -1.893 -0.284 1.00 0.00 O ATOM 1002 CB ALA A 427 1.445 -3.880 -1.413 1.00 0.00 C ATOM 0 H ALA A 427 1.788 -5.561 0.355 1.00 0.00 H new ATOM 0 HA ALA A 427 3.557 -4.152 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.511 -3.063 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.296 -4.820 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.604 -3.706 -0.742 1.00 0.00 H new ATOM 1008 N ALA A 428 2.211 -2.332 1.112 1.00 0.00 N ATOM 1009 CA ALA A 428 2.378 -1.101 1.873 1.00 0.00 C ATOM 1010 C ALA A 428 3.785 -1.030 2.446 1.00 0.00 C ATOM 1011 O ALA A 428 4.438 0.013 2.403 1.00 0.00 O ATOM 1012 CB ALA A 428 1.348 -1.019 2.989 1.00 0.00 C ATOM 0 H ALA A 428 1.448 -2.928 1.433 1.00 0.00 H new ATOM 0 HA ALA A 428 2.226 -0.254 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 428 1.488 -0.093 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 428 0.346 -1.037 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.471 -1.869 3.661 1.00 0.00 H new ATOM 1018 N GLU A 429 4.249 -2.159 2.971 1.00 0.00 N ATOM 1019 CA GLU A 429 5.586 -2.242 3.540 1.00 0.00 C ATOM 1020 C GLU A 429 6.622 -1.848 2.495 1.00 0.00 C ATOM 1021 O GLU A 429 7.649 -1.249 2.814 1.00 0.00 O ATOM 1022 CB GLU A 429 5.865 -3.657 4.049 1.00 0.00 C ATOM 1023 CG GLU A 429 5.541 -3.845 5.522 1.00 0.00 C ATOM 1024 CD GLU A 429 6.470 -4.832 6.201 1.00 0.00 C ATOM 1025 OE1 GLU A 429 7.697 -4.741 5.983 1.00 0.00 O ATOM 1026 OE2 GLU A 429 5.972 -5.698 6.951 1.00 0.00 O ATOM 0 H GLU A 429 3.718 -3.029 3.014 1.00 0.00 H new ATOM 0 HA GLU A 429 5.650 -1.552 4.382 1.00 0.00 H new ATOM 0 HB2 GLU A 429 5.282 -4.367 3.463 1.00 0.00 H new ATOM 0 HB3 GLU A 429 6.916 -3.894 3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 429 5.605 -2.883 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 429 4.512 -4.191 5.623 1.00 0.00 H new ATOM 1033 N ASN A 430 6.332 -2.176 1.239 1.00 0.00 N ATOM 1034 CA ASN A 430 7.223 -1.842 0.138 1.00 0.00 C ATOM 1035 C ASN A 430 7.250 -0.335 -0.067 1.00 0.00 C ATOM 1036 O ASN A 430 8.291 0.246 -0.373 1.00 0.00 O ATOM 1037 CB ASN A 430 6.771 -2.547 -1.146 1.00 0.00 C ATOM 1038 CG ASN A 430 7.712 -3.663 -1.554 1.00 0.00 C ATOM 1039 OD1 ASN A 430 8.201 -4.418 -0.713 1.00 0.00 O ATOM 1040 ND2 ASN A 430 7.973 -3.772 -2.852 1.00 0.00 N ATOM 0 H ASN A 430 5.486 -2.673 0.961 1.00 0.00 H new ATOM 0 HA ASN A 430 8.229 -2.183 0.382 1.00 0.00 H new ATOM 0 HB2 ASN A 430 5.770 -2.954 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 430 6.705 -1.818 -1.954 1.00 0.00 H new ATOM 0 HD21 ASN A 430 8.601 -4.503 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 430 7.546 -3.125 -3.514 1.00 0.00 H new ATOM 1047 N ALA A 431 6.095 0.295 0.124 1.00 0.00 N ATOM 1048 CA ALA A 431 5.978 1.738 -0.017 1.00 0.00 C ATOM 1049 C ALA A 431 6.573 2.435 1.200 1.00 0.00 C ATOM 1050 O ALA A 431 7.084 3.551 1.105 1.00 0.00 O ATOM 1051 CB ALA A 431 4.522 2.137 -0.203 1.00 0.00 C ATOM 0 H ALA A 431 5.226 -0.175 0.377 1.00 0.00 H new ATOM 0 HA ALA A 431 6.534 2.049 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 431 4.452 3.220 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 431 4.126 1.660 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 431 3.944 1.818 0.664 1.00 0.00 H new ATOM 1057 N LEU A 432 6.509 1.759 2.346 1.00 0.00 N ATOM 1058 CA LEU A 432 7.048 2.299 3.587 1.00 0.00 C ATOM 1059 C LEU A 432 8.573 2.346 3.531 1.00 0.00 C ATOM 1060 O LEU A 432 9.199 3.214 4.140 1.00 0.00 O ATOM 1061 CB LEU A 432 6.590 1.448 4.777 1.00 0.00 C ATOM 1062 CG LEU A 432 5.421 2.023 5.582 1.00 0.00 C ATOM 1063 CD1 LEU A 432 4.286 2.437 4.658 1.00 0.00 C ATOM 1064 CD2 LEU A 432 4.930 1.011 6.606 1.00 0.00 C ATOM 0 H LEU A 432 6.088 0.835 2.438 1.00 0.00 H new ATOM 0 HA LEU A 432 6.673 3.315 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 432 6.306 0.462 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 432 7.437 1.306 5.448 1.00 0.00 H new ATOM 0 HG LEU A 432 5.773 2.908 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 432 3.465 2.843 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 432 4.642 3.196 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 432 3.936 1.569 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 432 4.099 1.437 7.169 1.00 0.00 H new ATOM 0 HD22 LEU A 432 4.597 0.108 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 432 5.742 0.762 7.290 1.00 0.00 H new ATOM 1076 N ARG A 433 9.163 1.408 2.794 1.00 0.00 N ATOM 1077 CA ARG A 433 10.614 1.344 2.657 1.00 0.00 C ATOM 1078 C ARG A 433 11.145 2.577 1.932 1.00 0.00 C ATOM 1079 O ARG A 433 12.232 3.067 2.235 1.00 0.00 O ATOM 1080 CB ARG A 433 11.021 0.076 1.901 1.00 0.00 C ATOM 1081 CG ARG A 433 11.564 -1.022 2.803 1.00 0.00 C ATOM 1082 CD ARG A 433 12.958 -1.464 2.379 1.00 0.00 C ATOM 1083 NE ARG A 433 13.044 -2.912 2.206 1.00 0.00 N ATOM 1084 CZ ARG A 433 13.182 -3.772 3.212 1.00 0.00 C ATOM 1085 NH1 ARG A 433 13.249 -3.336 4.464 1.00 0.00 N ATOM 1086 NH2 ARG A 433 13.255 -5.073 2.965 1.00 0.00 N ATOM 0 H ARG A 433 8.659 0.683 2.284 1.00 0.00 H new ATOM 0 HA ARG A 433 11.049 1.317 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 433 10.157 -0.306 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 433 11.777 0.332 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 433 11.593 -0.665 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 433 10.889 -1.878 2.781 1.00 0.00 H new ATOM 0 HD2 ARG A 433 13.226 -0.971 1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 433 13.683 -1.145 3.128 1.00 0.00 H new ATOM 0 HE ARG A 433 12.995 -3.286 1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 433 13.195 -2.336 4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 433 13.355 -4.001 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 433 13.205 -5.413 2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 433 13.361 -5.733 3.735 1.00 0.00 H new ATOM 1098 N ASP A 434 10.369 3.074 0.974 1.00 0.00 N ATOM 1099 CA ASP A 434 10.762 4.250 0.205 1.00 0.00 C ATOM 1100 C ASP A 434 10.762 5.496 1.086 1.00 0.00 C ATOM 1101 O ASP A 434 9.876 6.344 0.982 1.00 0.00 O ATOM 1102 CB ASP A 434 9.817 4.448 -0.984 1.00 0.00 C ATOM 1103 CG ASP A 434 10.528 5.013 -2.198 1.00 0.00 C ATOM 1104 OD1 ASP A 434 11.776 4.957 -2.237 1.00 0.00 O ATOM 1105 OD2 ASP A 434 9.837 5.513 -3.111 1.00 0.00 O ATOM 0 H ASP A 434 9.465 2.681 0.712 1.00 0.00 H new ATOM 0 HA ASP A 434 11.773 4.091 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 434 9.361 3.493 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 434 9.008 5.119 -0.694 1.00 0.00 H new ATOM 1110 N LYS A 435 11.763 5.596 1.953 1.00 0.00 N ATOM 1111 CA LYS A 435 11.885 6.734 2.859 1.00 0.00 C ATOM 1112 C LYS A 435 11.905 8.049 2.088 1.00 0.00 C ATOM 1113 O LYS A 435 11.418 9.070 2.573 1.00 0.00 O ATOM 1114 CB LYS A 435 13.152 6.605 3.708 1.00 0.00 C ATOM 1115 CG LYS A 435 14.431 6.519 2.889 1.00 0.00 C ATOM 1116 CD LYS A 435 15.003 5.109 2.886 1.00 0.00 C ATOM 1117 CE LYS A 435 16.488 5.107 3.214 1.00 0.00 C ATOM 1118 NZ LYS A 435 16.740 4.784 4.646 1.00 0.00 N ATOM 0 H LYS A 435 12.504 4.901 2.048 1.00 0.00 H new ATOM 0 HA LYS A 435 11.015 6.735 3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 435 13.218 7.461 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 435 13.071 5.716 4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 435 14.229 6.832 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 435 15.170 7.211 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 435 14.468 4.497 3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 435 14.845 4.654 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 435 16.998 4.380 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 435 16.912 6.084 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 17.764 4.793 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 16.275 5.492 5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 16.358 3.841 4.862 1.00 0.00 H new ATOM 1132 N LYS A 436 12.460 8.017 0.881 1.00 0.00 N ATOM 1133 CA LYS A 436 12.530 9.205 0.044 1.00 0.00 C ATOM 1134 C LYS A 436 11.135 9.634 -0.379 1.00 0.00 C ATOM 1135 O LYS A 436 10.705 10.755 -0.108 1.00 0.00 O ATOM 1136 CB LYS A 436 13.386 8.931 -1.190 1.00 0.00 C ATOM 1137 CG LYS A 436 14.753 8.350 -0.868 1.00 0.00 C ATOM 1138 CD LYS A 436 14.812 6.862 -1.177 1.00 0.00 C ATOM 1139 CE LYS A 436 15.898 6.168 -0.369 1.00 0.00 C ATOM 1140 NZ LYS A 436 15.886 4.693 -0.573 1.00 0.00 N ATOM 0 H LYS A 436 12.867 7.181 0.462 1.00 0.00 H new ATOM 0 HA LYS A 436 12.987 10.009 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 436 12.853 8.242 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 436 13.517 9.860 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 436 15.517 8.873 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 436 14.980 8.513 0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 436 13.847 6.405 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 436 15.000 6.717 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 436 16.872 6.566 -0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 436 15.760 6.389 0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 16.641 4.258 -0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 14.966 4.309 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 16.043 4.480 -1.579 1.00 0.00 H new ATOM 1154 N MET A 437 10.431 8.725 -1.037 1.00 0.00 N ATOM 1155 CA MET A 437 9.076 8.989 -1.494 1.00 0.00 C ATOM 1156 C MET A 437 8.152 9.212 -0.303 1.00 0.00 C ATOM 1157 O MET A 437 7.228 10.021 -0.364 1.00 0.00 O ATOM 1158 CB MET A 437 8.568 7.823 -2.346 1.00 0.00 C ATOM 1159 CG MET A 437 7.118 7.967 -2.780 1.00 0.00 C ATOM 1160 SD MET A 437 6.940 8.199 -4.559 1.00 0.00 S ATOM 1161 CE MET A 437 6.943 9.988 -4.669 1.00 0.00 C ATOM 0 H MET A 437 10.778 7.794 -1.267 1.00 0.00 H new ATOM 0 HA MET A 437 9.083 9.892 -2.105 1.00 0.00 H new ATOM 0 HB2 MET A 437 9.196 7.732 -3.233 1.00 0.00 H new ATOM 0 HB3 MET A 437 8.678 6.897 -1.781 1.00 0.00 H new ATOM 0 HG2 MET A 437 6.563 7.079 -2.477 1.00 0.00 H new ATOM 0 HG3 MET A 437 6.671 8.815 -2.261 1.00 0.00 H new ATOM 0 HE1 MET A 437 5.936 10.341 -4.891 1.00 0.00 H new ATOM 0 HE2 MET A 437 7.275 10.410 -3.720 1.00 0.00 H new ATOM 0 HE3 MET A 437 7.620 10.303 -5.463 1.00 0.00 H new ATOM 1171 N LEU A 438 8.417 8.492 0.783 1.00 0.00 N ATOM 1172 CA LEU A 438 7.617 8.618 1.992 1.00 0.00 C ATOM 1173 C LEU A 438 7.892 9.950 2.679 1.00 0.00 C ATOM 1174 O LEU A 438 7.000 10.549 3.277 1.00 0.00 O ATOM 1175 CB LEU A 438 7.908 7.463 2.951 1.00 0.00 C ATOM 1176 CG LEU A 438 6.753 7.085 3.878 1.00 0.00 C ATOM 1177 CD1 LEU A 438 6.286 8.297 4.668 1.00 0.00 C ATOM 1178 CD2 LEU A 438 5.604 6.489 3.078 1.00 0.00 C ATOM 0 H LEU A 438 9.179 7.817 0.848 1.00 0.00 H new ATOM 0 HA LEU A 438 6.565 8.581 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 438 8.186 6.586 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 438 8.772 7.726 3.561 1.00 0.00 H new ATOM 0 HG LEU A 438 7.106 6.333 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 438 5.463 8.010 5.323 1.00 0.00 H new ATOM 0 HD12 LEU A 438 7.111 8.680 5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 438 5.948 9.072 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 438 4.789 6.225 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 438 5.250 7.219 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 438 5.948 5.595 2.558 1.00 0.00 H new ATOM 1190 N ASP A 439 9.135 10.412 2.580 1.00 0.00 N ATOM 1191 CA ASP A 439 9.527 11.678 3.184 1.00 0.00 C ATOM 1192 C ASP A 439 8.823 12.838 2.492 1.00 0.00 C ATOM 1193 O ASP A 439 8.356 13.773 3.141 1.00 0.00 O ATOM 1194 CB ASP A 439 11.045 11.862 3.106 1.00 0.00 C ATOM 1195 CG ASP A 439 11.506 13.154 3.751 1.00 0.00 C ATOM 1196 OD1 ASP A 439 11.395 14.215 3.102 1.00 0.00 O ATOM 1197 OD2 ASP A 439 11.981 13.104 4.906 1.00 0.00 O ATOM 0 H ASP A 439 9.886 9.928 2.088 1.00 0.00 H new ATOM 0 HA ASP A 439 9.230 11.664 4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 439 11.536 11.020 3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 439 11.356 11.850 2.061 1.00 0.00 H new ATOM 1202 N PHE A 440 8.747 12.765 1.169 1.00 0.00 N ATOM 1203 CA PHE A 440 8.094 13.804 0.382 1.00 0.00 C ATOM 1204 C PHE A 440 6.626 13.931 0.772 1.00 0.00 C ATOM 1205 O PHE A 440 6.088 15.035 0.856 1.00 0.00 O ATOM 1206 CB PHE A 440 8.207 13.490 -1.108 1.00 0.00 C ATOM 1207 CG PHE A 440 7.970 14.682 -1.992 1.00 0.00 C ATOM 1208 CD1 PHE A 440 9.006 15.548 -2.301 1.00 0.00 C ATOM 1209 CD2 PHE A 440 6.712 14.934 -2.514 1.00 0.00 C ATOM 1210 CE1 PHE A 440 8.792 16.645 -3.113 1.00 0.00 C ATOM 1211 CE2 PHE A 440 6.491 16.030 -3.328 1.00 0.00 C ATOM 1212 CZ PHE A 440 7.533 16.886 -3.628 1.00 0.00 C ATOM 0 H PHE A 440 9.130 11.997 0.618 1.00 0.00 H new ATOM 0 HA PHE A 440 8.594 14.751 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 440 9.199 13.088 -1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.489 12.711 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 440 9.993 15.363 -1.902 1.00 0.00 H new ATOM 0 HD2 PHE A 440 5.895 14.267 -2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 440 9.608 17.313 -3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 440 5.505 16.216 -3.728 1.00 0.00 H new ATOM 0 HZ PHE A 440 7.364 17.742 -4.264 1.00 0.00 H new ATOM 1222 N TYR A 441 5.987 12.793 1.021 1.00 0.00 N ATOM 1223 CA TYR A 441 4.587 12.773 1.415 1.00 0.00 C ATOM 1224 C TYR A 441 4.461 13.088 2.894 1.00 0.00 C ATOM 1225 O TYR A 441 3.603 13.863 3.303 1.00 0.00 O ATOM 1226 CB TYR A 441 3.970 11.406 1.124 1.00 0.00 C ATOM 1227 CG TYR A 441 3.408 11.275 -0.272 1.00 0.00 C ATOM 1228 CD1 TYR A 441 4.221 10.915 -1.338 1.00 0.00 C ATOM 1229 CD2 TYR A 441 2.062 11.508 -0.521 1.00 0.00 C ATOM 1230 CE1 TYR A 441 3.708 10.790 -2.615 1.00 0.00 C ATOM 1231 CE2 TYR A 441 1.540 11.386 -1.795 1.00 0.00 C ATOM 1232 CZ TYR A 441 2.367 11.027 -2.839 1.00 0.00 C ATOM 1233 OH TYR A 441 1.853 10.904 -4.108 1.00 0.00 O ATOM 0 H TYR A 441 6.419 11.871 0.956 1.00 0.00 H new ATOM 0 HA TYR A 441 4.053 13.529 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 441 4.727 10.637 1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 441 3.175 11.216 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 441 5.271 10.730 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 441 1.412 11.789 0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.353 10.508 -3.434 1.00 0.00 H new ATOM 0 HE2 TYR A 441 0.491 11.571 -1.972 1.00 0.00 H new ATOM 0 HH TYR A 441 0.894 11.104 -4.093 1.00 0.00 H new ATOM 1243 N ALA A 442 5.331 12.484 3.689 1.00 0.00 N ATOM 1244 CA ALA A 442 5.324 12.706 5.125 1.00 0.00 C ATOM 1245 C ALA A 442 5.535 14.182 5.440 1.00 0.00 C ATOM 1246 O ALA A 442 5.012 14.696 6.428 1.00 0.00 O ATOM 1247 CB ALA A 442 6.387 11.853 5.802 1.00 0.00 C ATOM 0 H ALA A 442 6.050 11.837 3.364 1.00 0.00 H new ATOM 0 HA ALA A 442 4.350 12.411 5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 442 6.367 12.032 6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 442 6.187 10.800 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 442 7.369 12.115 5.408 1.00 0.00 H new ATOM 1253 N LYS A 443 6.294 14.862 4.586 1.00 0.00 N ATOM 1254 CA LYS A 443 6.555 16.285 4.768 1.00 0.00 C ATOM 1255 C LYS A 443 5.375 17.119 4.273 1.00 0.00 C ATOM 1256 O LYS A 443 5.349 18.337 4.441 1.00 0.00 O ATOM 1257 CB LYS A 443 7.833 16.694 4.032 1.00 0.00 C ATOM 1258 CG LYS A 443 9.058 16.765 4.931 1.00 0.00 C ATOM 1259 CD LYS A 443 9.308 15.444 5.640 1.00 0.00 C ATOM 1260 CE LYS A 443 9.680 15.656 7.099 1.00 0.00 C ATOM 1261 NZ LYS A 443 11.153 15.596 7.311 1.00 0.00 N ATOM 0 H LYS A 443 6.737 14.452 3.764 1.00 0.00 H new ATOM 0 HA LYS A 443 6.689 16.471 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 443 8.023 15.982 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 443 7.678 17.667 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 443 9.932 17.031 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 443 8.923 17.555 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.415 14.822 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 443 10.108 14.904 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 443 9.304 16.623 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 443 9.194 14.897 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 11.365 15.745 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 11.508 14.664 7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 11.615 16.337 6.746 1.00 0.00 H new ATOM 1275 N GLN A 444 4.394 16.450 3.670 1.00 0.00 N ATOM 1276 CA GLN A 444 3.210 17.119 3.163 1.00 0.00 C ATOM 1277 C GLN A 444 1.992 16.705 3.984 1.00 0.00 C ATOM 1278 O GLN A 444 1.248 17.549 4.480 1.00 0.00 O ATOM 1279 CB GLN A 444 3.019 16.797 1.674 1.00 0.00 C ATOM 1280 CG GLN A 444 1.578 16.531 1.268 1.00 0.00 C ATOM 1281 CD GLN A 444 1.405 16.429 -0.235 1.00 0.00 C ATOM 1282 OE1 GLN A 444 0.484 17.012 -0.807 1.00 0.00 O ATOM 1283 NE2 GLN A 444 2.294 15.685 -0.884 1.00 0.00 N ATOM 0 H GLN A 444 4.402 15.441 3.523 1.00 0.00 H new ATOM 0 HA GLN A 444 3.332 18.198 3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 444 3.402 17.629 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 444 3.621 15.924 1.424 1.00 0.00 H new ATOM 0 HG2 GLN A 444 1.238 15.605 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 444 0.943 17.331 1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 444 3.042 15.219 -0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 444 2.229 15.580 -1.896 1.00 0.00 H new ATOM 1292 N ARG A 445 1.806 15.399 4.132 1.00 0.00 N ATOM 1293 CA ARG A 445 0.691 14.870 4.909 1.00 0.00 C ATOM 1294 C ARG A 445 0.798 15.313 6.363 1.00 0.00 C ATOM 1295 O ARG A 445 -0.155 15.838 6.938 1.00 0.00 O ATOM 1296 CB ARG A 445 0.667 13.341 4.836 1.00 0.00 C ATOM 1297 CG ARG A 445 -0.718 12.744 5.017 1.00 0.00 C ATOM 1298 CD ARG A 445 -0.675 11.478 5.859 1.00 0.00 C ATOM 1299 NE ARG A 445 -1.887 11.309 6.657 1.00 0.00 N ATOM 1300 CZ ARG A 445 -2.112 11.942 7.806 1.00 0.00 C ATOM 1301 NH1 ARG A 445 -1.213 12.786 8.294 1.00 0.00 N ATOM 1302 NH2 ARG A 445 -3.241 11.729 8.469 1.00 0.00 N ATOM 0 H ARG A 445 2.412 14.687 3.725 1.00 0.00 H new ATOM 0 HA ARG A 445 -0.235 15.260 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 445 1.066 13.026 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 445 1.330 12.939 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -1.371 13.476 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -1.148 12.519 4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -0.547 10.614 5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 445 0.192 11.511 6.519 1.00 0.00 H new ATOM 0 HE ARG A 445 -2.603 10.668 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -0.343 12.953 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -1.391 13.268 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -3.936 11.081 8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -3.414 12.214 9.350 1.00 0.00 H new ATOM 1314 N ALA A 446 1.970 15.096 6.945 1.00 0.00 N ATOM 1315 CA ALA A 446 2.222 15.468 8.330 1.00 0.00 C ATOM 1316 C ALA A 446 2.305 16.983 8.483 1.00 0.00 C ATOM 1317 O ALA A 446 1.972 17.531 9.535 1.00 0.00 O ATOM 1318 CB ALA A 446 3.506 14.818 8.823 1.00 0.00 C ATOM 0 H ALA A 446 2.765 14.662 6.476 1.00 0.00 H new ATOM 0 HA ALA A 446 1.389 15.111 8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 446 3.684 15.104 9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 446 3.414 13.734 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 446 4.342 15.150 8.207 1.00 0.00 H new