USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 387 TYR OH : rot 57:sc= -3.26! USER MOD Set 1.2: A 404 CYS SG : rot 100:sc= 0.375 USER MOD Set 2.1: A 380 TYR OH : rot -154:sc= 0.935 USER MOD Set 2.2: A 444 GLN : amide:sc= -0.571 K(o=0.36,f=0.87) USER MOD Single : A 369 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 371 LYS NZ :NH3+ -121:sc= -2.49! (180deg=-4.76!) USER MOD Single : A 373 GLN : amide:sc= -2.86 K(o=-2.9,f=-1.6) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot -41:sc= 0.368 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -4.12 K(o=-4.1,f=-5.7!) USER MOD Single : A 389 THR OG1 : rot 1:sc= 0.654! USER MOD Single : A 399 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.023) USER MOD Single : A 400 SER OG : rot -160:sc= 0 USER MOD Single : A 410 THR OG1 : rot 27:sc= 0.105 USER MOD Single : A 414 THR OG1 : rot -174:sc= -2.37 USER MOD Single : A 419 ASN : amide:sc= -4.73! C(o=-4.7!,f=-7.7!) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0.247 K(o=0.25,f=-2.1!) USER MOD Single : A 435 LYS NZ :NH3+ 161:sc= -0.146 (180deg=-0.59) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 160:sc= -0.946 (180deg=-1.39) 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 -3.415 -3.039 9.109 1.00 0.00 N ATOM 103 CA ASN A 369 -2.268 -2.307 9.638 1.00 0.00 C ATOM 104 C ASN A 369 -1.521 -1.546 8.544 1.00 0.00 C ATOM 105 O ASN A 369 -1.614 -0.322 8.455 1.00 0.00 O ATOM 106 CB ASN A 369 -1.322 -3.274 10.349 1.00 0.00 C ATOM 107 CG ASN A 369 -0.088 -2.587 10.899 1.00 0.00 C ATOM 108 OD1 ASN A 369 -0.154 -1.873 11.900 1.00 0.00 O ATOM 109 ND2 ASN A 369 1.048 -2.798 10.244 1.00 0.00 N ATOM 0 HA ASN A 369 -2.642 -1.570 10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -1.855 -3.763 11.165 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -1.018 -4.056 9.653 1.00 0.00 H new ATOM 0 HD21 ASN A 369 1.911 -2.361 10.566 1.00 0.00 H new ATOM 0 HD22 ASN A 369 1.057 -3.397 9.419 1.00 0.00 H new ATOM 116 N ALA A 370 -0.769 -2.278 7.733 1.00 0.00 N ATOM 117 CA ALA A 370 0.021 -1.688 6.652 1.00 0.00 C ATOM 118 C ALA A 370 -0.733 -0.580 5.918 1.00 0.00 C ATOM 119 O ALA A 370 -0.130 0.389 5.458 1.00 0.00 O ATOM 120 CB ALA A 370 0.456 -2.769 5.674 1.00 0.00 C ATOM 0 H ALA A 370 -0.687 -3.292 7.802 1.00 0.00 H new ATOM 0 HA ALA A 370 0.901 -1.230 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 370 1.043 -2.320 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 370 1.061 -3.510 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -0.424 -3.253 5.251 1.00 0.00 H new ATOM 126 N LYS A 371 -2.049 -0.725 5.810 1.00 0.00 N ATOM 127 CA LYS A 371 -2.865 0.275 5.127 1.00 0.00 C ATOM 128 C LYS A 371 -3.000 1.531 5.974 1.00 0.00 C ATOM 129 O LYS A 371 -2.912 2.648 5.465 1.00 0.00 O ATOM 130 CB LYS A 371 -4.251 -0.288 4.807 1.00 0.00 C ATOM 131 CG LYS A 371 -5.071 0.602 3.888 1.00 0.00 C ATOM 132 CD LYS A 371 -6.493 0.085 3.734 1.00 0.00 C ATOM 133 CE LYS A 371 -7.099 0.506 2.404 1.00 0.00 C ATOM 134 NZ LYS A 371 -6.968 1.972 2.172 1.00 0.00 N ATOM 0 H LYS A 371 -2.571 -1.518 6.183 1.00 0.00 H new ATOM 0 HA LYS A 371 -2.366 0.535 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -4.138 -1.268 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.798 -0.437 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -5.093 1.616 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -4.594 0.654 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.496 -1.002 3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.109 0.462 4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -6.609 -0.035 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -8.153 0.228 2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -7.913 2.390 2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -6.497 2.412 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -6.403 2.139 1.315 1.00 0.00 H new ATOM 148 N ARG A 372 -3.205 1.342 7.269 1.00 0.00 N ATOM 149 CA ARG A 372 -3.342 2.464 8.186 1.00 0.00 C ATOM 150 C ARG A 372 -2.035 3.236 8.263 1.00 0.00 C ATOM 151 O ARG A 372 -2.028 4.454 8.441 1.00 0.00 O ATOM 152 CB ARG A 372 -3.750 1.978 9.579 1.00 0.00 C ATOM 153 CG ARG A 372 -4.823 0.899 9.560 1.00 0.00 C ATOM 154 CD ARG A 372 -5.378 0.640 10.951 1.00 0.00 C ATOM 155 NE ARG A 372 -4.579 -0.338 11.688 1.00 0.00 N ATOM 156 CZ ARG A 372 -3.516 -0.027 12.427 1.00 0.00 C ATOM 157 NH1 ARG A 372 -3.113 1.234 12.532 1.00 0.00 N ATOM 158 NH2 ARG A 372 -2.851 -0.982 13.064 1.00 0.00 N ATOM 0 H ARG A 372 -3.280 0.424 7.708 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.124 3.124 7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -2.869 1.593 10.092 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -4.111 2.827 10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -5.632 1.201 8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -4.406 -0.023 9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -5.409 1.576 11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -6.405 0.282 10.871 1.00 0.00 H new ATOM 0 HE ARG A 372 -4.853 -1.319 11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -3.619 1.973 12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -2.298 1.463 13.100 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -3.154 -1.953 12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -2.036 -0.745 13.631 1.00 0.00 H new ATOM 170 N GLN A 373 -0.928 2.519 8.113 1.00 0.00 N ATOM 171 CA GLN A 373 0.387 3.136 8.149 1.00 0.00 C ATOM 172 C GLN A 373 0.567 4.051 6.945 1.00 0.00 C ATOM 173 O GLN A 373 0.868 5.235 7.091 1.00 0.00 O ATOM 174 CB GLN A 373 1.480 2.061 8.162 1.00 0.00 C ATOM 175 CG GLN A 373 2.320 2.064 9.428 1.00 0.00 C ATOM 176 CD GLN A 373 3.810 2.053 9.143 1.00 0.00 C ATOM 177 OE1 GLN A 373 4.416 0.994 8.982 1.00 0.00 O ATOM 178 NE2 GLN A 373 4.407 3.238 9.079 1.00 0.00 N ATOM 0 H GLN A 373 -0.917 1.510 7.965 1.00 0.00 H new ATOM 0 HA GLN A 373 0.470 3.729 9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 373 1.016 1.081 8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.133 2.208 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 373 2.074 2.946 10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.063 1.193 10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 373 3.865 4.090 9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 373 5.408 3.295 8.890 1.00 0.00 H new ATOM 187 N LEU A 374 0.372 3.492 5.755 1.00 0.00 N ATOM 188 CA LEU A 374 0.512 4.253 4.520 1.00 0.00 C ATOM 189 C LEU A 374 -0.452 5.433 4.487 1.00 0.00 C ATOM 190 O LEU A 374 -0.097 6.523 4.045 1.00 0.00 O ATOM 191 CB LEU A 374 0.277 3.344 3.312 1.00 0.00 C ATOM 192 CG LEU A 374 1.239 3.552 2.136 1.00 0.00 C ATOM 193 CD1 LEU A 374 2.684 3.564 2.615 1.00 0.00 C ATOM 194 CD2 LEU A 374 1.033 2.468 1.087 1.00 0.00 C ATOM 0 H LEU A 374 0.116 2.514 5.620 1.00 0.00 H new ATOM 0 HA LEU A 374 1.528 4.647 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 374 0.349 2.307 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -0.742 3.496 2.957 1.00 0.00 H new ATOM 0 HG LEU A 374 1.024 4.520 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 374 3.348 3.713 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 374 2.824 4.375 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 374 2.916 2.613 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 374 1.722 2.628 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 374 1.221 1.491 1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 374 0.008 2.508 0.719 1.00 0.00 H new ATOM 206 N TYR A 375 -1.672 5.215 4.959 1.00 0.00 N ATOM 207 CA TYR A 375 -2.672 6.274 4.975 1.00 0.00 C ATOM 208 C TYR A 375 -2.386 7.274 6.087 1.00 0.00 C ATOM 209 O TYR A 375 -2.769 8.440 5.998 1.00 0.00 O ATOM 210 CB TYR A 375 -4.072 5.682 5.147 1.00 0.00 C ATOM 211 CG TYR A 375 -5.130 6.379 4.322 1.00 0.00 C ATOM 212 CD1 TYR A 375 -4.988 6.514 2.948 1.00 0.00 C ATOM 213 CD2 TYR A 375 -6.271 6.900 4.918 1.00 0.00 C ATOM 214 CE1 TYR A 375 -5.952 7.150 2.189 1.00 0.00 C ATOM 215 CE2 TYR A 375 -7.240 7.538 4.168 1.00 0.00 C ATOM 216 CZ TYR A 375 -7.076 7.660 2.804 1.00 0.00 C ATOM 217 OH TYR A 375 -8.039 8.294 2.053 1.00 0.00 O ATOM 0 H TYR A 375 -1.992 4.322 5.333 1.00 0.00 H new ATOM 0 HA TYR A 375 -2.625 6.799 4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -4.047 4.627 4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -4.352 5.733 6.199 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.109 6.115 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -6.403 6.805 5.986 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -5.826 7.247 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -8.121 7.939 4.647 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.766 8.594 2.638 1.00 0.00 H new ATOM 227 N SER A 376 -1.708 6.814 7.129 1.00 0.00 N ATOM 228 CA SER A 376 -1.368 7.673 8.252 1.00 0.00 C ATOM 229 C SER A 376 0.033 8.262 8.095 1.00 0.00 C ATOM 230 O SER A 376 0.503 8.992 8.966 1.00 0.00 O ATOM 231 CB SER A 376 -1.460 6.893 9.565 1.00 0.00 C ATOM 232 OG SER A 376 -1.416 7.766 10.681 1.00 0.00 O ATOM 0 H SER A 376 -1.383 5.851 7.219 1.00 0.00 H new ATOM 0 HA SER A 376 -2.084 8.495 8.271 1.00 0.00 H new ATOM 0 HB2 SER A 376 -2.385 6.318 9.586 1.00 0.00 H new ATOM 0 HB3 SER A 376 -0.639 6.179 9.626 1.00 0.00 H new ATOM 0 HG SER A 376 -0.743 8.462 10.526 1.00 0.00 H new ATOM 238 N LEU A 377 0.705 7.939 6.988 1.00 0.00 N ATOM 239 CA LEU A 377 2.051 8.445 6.753 1.00 0.00 C ATOM 240 C LEU A 377 2.162 9.228 5.445 1.00 0.00 C ATOM 241 O LEU A 377 3.127 9.969 5.254 1.00 0.00 O ATOM 242 CB LEU A 377 3.067 7.300 6.761 1.00 0.00 C ATOM 243 CG LEU A 377 3.926 7.214 8.025 1.00 0.00 C ATOM 244 CD1 LEU A 377 3.057 6.947 9.243 1.00 0.00 C ATOM 245 CD2 LEU A 377 4.991 6.136 7.876 1.00 0.00 C ATOM 0 H LEU A 377 0.341 7.336 6.250 1.00 0.00 H new ATOM 0 HA LEU A 377 2.273 9.134 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 377 2.533 6.358 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 377 3.724 7.410 5.899 1.00 0.00 H new ATOM 0 HG LEU A 377 4.428 8.171 8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 377 3.685 6.889 10.132 1.00 0.00 H new ATOM 0 HD12 LEU A 377 2.336 7.756 9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 377 2.526 6.004 9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.592 6.090 8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.512 5.172 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.633 6.374 7.028 1.00 0.00 H new ATOM 257 N ILE A 378 1.194 9.074 4.536 1.00 0.00 N ATOM 258 CA ILE A 378 1.259 9.799 3.270 1.00 0.00 C ATOM 259 C ILE A 378 -0.120 10.187 2.739 1.00 0.00 C ATOM 260 O ILE A 378 -0.291 11.277 2.191 1.00 0.00 O ATOM 261 CB ILE A 378 2.023 8.997 2.193 1.00 0.00 C ATOM 262 CG1 ILE A 378 1.269 7.723 1.812 1.00 0.00 C ATOM 263 CG2 ILE A 378 3.420 8.655 2.686 1.00 0.00 C ATOM 264 CD1 ILE A 378 1.775 7.090 0.536 1.00 0.00 C ATOM 0 H ILE A 378 0.379 8.471 4.650 1.00 0.00 H new ATOM 0 HA ILE A 378 1.805 10.718 3.484 1.00 0.00 H new ATOM 0 HB ILE A 378 2.103 9.619 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 378 1.353 7.002 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 378 0.210 7.955 1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 378 3.949 8.090 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 378 3.965 9.574 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 378 3.349 8.056 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 378 1.198 6.190 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 378 1.666 7.795 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 378 2.826 6.827 0.652 1.00 0.00 H new ATOM 276 N GLY A 379 -1.098 9.304 2.894 1.00 0.00 N ATOM 277 CA GLY A 379 -2.436 9.599 2.412 1.00 0.00 C ATOM 278 C GLY A 379 -3.072 10.772 3.135 1.00 0.00 C ATOM 279 O GLY A 379 -3.444 10.657 4.303 1.00 0.00 O ATOM 0 H GLY A 379 -0.991 8.394 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.394 9.815 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -3.065 8.717 2.535 1.00 0.00 H new ATOM 283 N TYR A 380 -3.203 11.903 2.442 1.00 0.00 N ATOM 284 CA TYR A 380 -3.806 13.092 3.040 1.00 0.00 C ATOM 285 C TYR A 380 -5.252 13.265 2.580 1.00 0.00 C ATOM 286 O TYR A 380 -6.161 13.404 3.397 1.00 0.00 O ATOM 287 CB TYR A 380 -3.002 14.362 2.717 1.00 0.00 C ATOM 288 CG TYR A 380 -2.053 14.240 1.541 1.00 0.00 C ATOM 289 CD1 TYR A 380 -2.508 14.370 0.235 1.00 0.00 C ATOM 290 CD2 TYR A 380 -0.696 14.008 1.741 1.00 0.00 C ATOM 291 CE1 TYR A 380 -1.641 14.269 -0.836 1.00 0.00 C ATOM 292 CE2 TYR A 380 0.176 13.906 0.675 1.00 0.00 C ATOM 293 CZ TYR A 380 -0.301 14.038 -0.611 1.00 0.00 C ATOM 294 OH TYR A 380 0.565 13.940 -1.676 1.00 0.00 O ATOM 0 H TYR A 380 -2.902 12.020 1.474 1.00 0.00 H new ATOM 0 HA TYR A 380 -3.793 12.945 4.120 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -3.700 15.175 2.518 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.428 14.644 3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -3.557 14.553 0.054 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -0.318 13.906 2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -2.012 14.371 -1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 380 1.226 13.724 0.848 1.00 0.00 H new ATOM 0 HH TYR A 380 1.336 13.391 -1.421 1.00 0.00 H new ATOM 304 N ALA A 381 -5.454 13.254 1.268 1.00 0.00 N ATOM 305 CA ALA A 381 -6.787 13.410 0.697 1.00 0.00 C ATOM 306 C ALA A 381 -6.813 12.927 -0.748 1.00 0.00 C ATOM 307 O ALA A 381 -7.359 11.866 -1.048 1.00 0.00 O ATOM 308 CB ALA A 381 -7.236 14.862 0.784 1.00 0.00 C ATOM 0 H ALA A 381 -4.711 13.139 0.579 1.00 0.00 H new ATOM 0 HA ALA A 381 -7.481 12.799 1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -8.233 14.961 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -7.259 15.174 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -6.538 15.492 0.233 1.00 0.00 H new ATOM 314 N SER A 382 -6.205 13.705 -1.639 1.00 0.00 N ATOM 315 CA SER A 382 -6.147 13.343 -3.050 1.00 0.00 C ATOM 316 C SER A 382 -5.469 11.987 -3.220 1.00 0.00 C ATOM 317 O SER A 382 -5.722 11.271 -4.189 1.00 0.00 O ATOM 318 CB SER A 382 -5.394 14.411 -3.845 1.00 0.00 C ATOM 319 OG SER A 382 -6.062 15.659 -3.783 1.00 0.00 O ATOM 0 H SER A 382 -5.747 14.587 -1.409 1.00 0.00 H new ATOM 0 HA SER A 382 -7.166 13.277 -3.432 1.00 0.00 H new ATOM 0 HB2 SER A 382 -4.383 14.516 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 382 -5.300 14.096 -4.884 1.00 0.00 H new ATOM 0 HG SER A 382 -5.560 16.325 -4.298 1.00 0.00 H new ATOM 325 N LEU A 383 -4.611 11.643 -2.264 1.00 0.00 N ATOM 326 CA LEU A 383 -3.898 10.374 -2.293 1.00 0.00 C ATOM 327 C LEU A 383 -4.867 9.214 -2.108 1.00 0.00 C ATOM 328 O LEU A 383 -5.013 8.684 -1.008 1.00 0.00 O ATOM 329 CB LEU A 383 -2.830 10.345 -1.194 1.00 0.00 C ATOM 330 CG LEU A 383 -1.432 10.829 -1.606 1.00 0.00 C ATOM 331 CD1 LEU A 383 -0.526 9.643 -1.902 1.00 0.00 C ATOM 332 CD2 LEU A 383 -1.503 11.765 -2.809 1.00 0.00 C ATOM 0 H LEU A 383 -4.393 12.229 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 383 -3.413 10.271 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -3.175 10.959 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.745 9.324 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.010 11.390 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.461 10.003 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.438 9.021 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -0.951 9.054 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 383 -0.498 12.091 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -1.951 11.240 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -2.111 12.634 -2.558 1.00 0.00 H new ATOM 344 N ARG A 384 -5.531 8.831 -3.192 1.00 0.00 N ATOM 345 CA ARG A 384 -6.492 7.738 -3.151 1.00 0.00 C ATOM 346 C ARG A 384 -5.792 6.404 -2.912 1.00 0.00 C ATOM 347 O ARG A 384 -5.756 5.542 -3.791 1.00 0.00 O ATOM 348 CB ARG A 384 -7.291 7.687 -4.455 1.00 0.00 C ATOM 349 CG ARG A 384 -8.530 8.568 -4.444 1.00 0.00 C ATOM 350 CD ARG A 384 -8.164 10.042 -4.381 1.00 0.00 C ATOM 351 NE ARG A 384 -9.344 10.903 -4.419 1.00 0.00 N ATOM 352 CZ ARG A 384 -10.151 11.102 -3.379 1.00 0.00 C ATOM 353 NH1 ARG A 384 -9.912 10.501 -2.221 1.00 0.00 N ATOM 354 NH2 ARG A 384 -11.201 11.903 -3.500 1.00 0.00 N ATOM 0 H ARG A 384 -5.421 9.262 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 384 -7.176 7.918 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 384 -6.646 7.992 -5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 384 -7.590 6.657 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -9.122 8.377 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 384 -9.154 8.310 -3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 384 -7.603 10.237 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 384 -7.509 10.289 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 384 -9.562 11.380 -5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -9.107 9.883 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -10.534 10.657 -1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -11.390 12.366 -4.389 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -11.820 12.056 -2.704 1.00 0.00 H new ATOM 366 N LEU A 385 -5.237 6.239 -1.715 1.00 0.00 N ATOM 367 CA LEU A 385 -4.540 5.009 -1.359 1.00 0.00 C ATOM 368 C LEU A 385 -5.467 3.805 -1.500 1.00 0.00 C ATOM 369 O LEU A 385 -6.268 3.517 -0.612 1.00 0.00 O ATOM 370 CB LEU A 385 -4.004 5.099 0.075 1.00 0.00 C ATOM 371 CG LEU A 385 -3.451 3.789 0.649 1.00 0.00 C ATOM 372 CD1 LEU A 385 -1.945 3.883 0.837 1.00 0.00 C ATOM 373 CD2 LEU A 385 -4.134 3.452 1.966 1.00 0.00 C ATOM 0 H LEU A 385 -5.257 6.942 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.700 4.880 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -3.216 5.851 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -4.806 5.452 0.724 1.00 0.00 H new ATOM 0 HG LEU A 385 -3.660 2.988 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -1.570 2.944 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.470 4.076 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.714 4.696 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.728 2.519 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -3.958 4.254 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -5.206 3.341 1.802 1.00 0.00 H new ATOM 385 N HIS A 386 -5.349 3.106 -2.624 1.00 0.00 N ATOM 386 CA HIS A 386 -6.173 1.933 -2.884 1.00 0.00 C ATOM 387 C HIS A 386 -5.319 0.775 -3.387 1.00 0.00 C ATOM 388 O HIS A 386 -4.414 0.966 -4.199 1.00 0.00 O ATOM 389 CB HIS A 386 -7.262 2.264 -3.906 1.00 0.00 C ATOM 390 CG HIS A 386 -6.727 2.768 -5.210 1.00 0.00 C ATOM 391 ND1 HIS A 386 -6.916 4.060 -5.652 1.00 0.00 N ATOM 392 CD2 HIS A 386 -6.007 2.145 -6.173 1.00 0.00 C ATOM 393 CE1 HIS A 386 -6.336 4.211 -6.830 1.00 0.00 C ATOM 394 NE2 HIS A 386 -5.776 3.064 -7.166 1.00 0.00 N ATOM 0 H HIS A 386 -4.690 3.332 -3.369 1.00 0.00 H new ATOM 0 HA HIS A 386 -6.646 1.634 -1.948 1.00 0.00 H new ATOM 0 HB2 HIS A 386 -7.860 1.371 -4.089 1.00 0.00 H new ATOM 0 HB3 HIS A 386 -7.930 3.014 -3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 386 -5.676 1.117 -6.162 1.00 0.00 H new ATOM 0 HE1 HIS A 386 -6.323 5.117 -7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 386 -5.255 2.889 -8.025 1.00 0.00 H new ATOM 403 N TYR A 387 -5.608 -0.425 -2.896 1.00 0.00 N ATOM 404 CA TYR A 387 -4.862 -1.609 -3.295 1.00 0.00 C ATOM 405 C TYR A 387 -5.633 -2.427 -4.321 1.00 0.00 C ATOM 406 O TYR A 387 -6.796 -2.771 -4.112 1.00 0.00 O ATOM 407 CB TYR A 387 -4.534 -2.463 -2.072 1.00 0.00 C ATOM 408 CG TYR A 387 -3.408 -1.896 -1.243 1.00 0.00 C ATOM 409 CD1 TYR A 387 -3.524 -0.646 -0.648 1.00 0.00 C ATOM 410 CD2 TYR A 387 -2.225 -2.600 -1.067 1.00 0.00 C ATOM 411 CE1 TYR A 387 -2.493 -0.115 0.100 1.00 0.00 C ATOM 412 CE2 TYR A 387 -1.190 -2.077 -0.318 1.00 0.00 C ATOM 413 CZ TYR A 387 -1.328 -0.833 0.263 1.00 0.00 C ATOM 414 OH TYR A 387 -0.299 -0.307 1.008 1.00 0.00 O ATOM 0 H TYR A 387 -6.353 -0.602 -2.222 1.00 0.00 H new ATOM 0 HA TYR A 387 -3.931 -1.282 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -5.425 -2.555 -1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -4.267 -3.468 -2.398 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -4.436 -0.081 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -2.112 -3.572 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.599 0.859 0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -0.277 -2.639 -0.187 1.00 0.00 H new ATOM 0 HH TYR A 387 -0.621 -0.099 1.910 1.00 0.00 H new ATOM 424 N VAL A 388 -4.974 -2.727 -5.433 1.00 0.00 N ATOM 425 CA VAL A 388 -5.589 -3.497 -6.503 1.00 0.00 C ATOM 426 C VAL A 388 -4.824 -4.791 -6.761 1.00 0.00 C ATOM 427 O VAL A 388 -3.680 -4.767 -7.218 1.00 0.00 O ATOM 428 CB VAL A 388 -5.649 -2.677 -7.804 1.00 0.00 C ATOM 429 CG1 VAL A 388 -6.328 -3.466 -8.915 1.00 0.00 C ATOM 430 CG2 VAL A 388 -6.363 -1.354 -7.567 1.00 0.00 C ATOM 0 H VAL A 388 -4.010 -2.447 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 388 -6.602 -3.742 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 388 -4.628 -2.465 -8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 388 -6.357 -2.864 -9.823 1.00 0.00 H new ATOM 0 HG12 VAL A 388 -5.769 -4.382 -9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 388 -7.345 -3.718 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 388 -6.396 -0.787 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 388 -7.379 -1.546 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 388 -5.826 -0.781 -6.812 1.00 0.00 H new ATOM 440 N THR A 389 -5.463 -5.919 -6.473 1.00 0.00 N ATOM 441 CA THR A 389 -4.841 -7.222 -6.683 1.00 0.00 C ATOM 442 C THR A 389 -4.926 -7.622 -8.152 1.00 0.00 C ATOM 443 O THR A 389 -6.015 -7.723 -8.717 1.00 0.00 O ATOM 444 CB THR A 389 -5.513 -8.283 -5.810 1.00 0.00 C ATOM 445 OG1 THR A 389 -6.742 -8.699 -6.379 1.00 0.00 O ATOM 446 CG2 THR A 389 -5.799 -7.807 -4.401 1.00 0.00 C ATOM 0 H THR A 389 -6.409 -5.958 -6.094 1.00 0.00 H new ATOM 0 HA THR A 389 -3.791 -7.150 -6.400 1.00 0.00 H new ATOM 0 HB THR A 389 -4.801 -9.107 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 389 -6.887 -8.227 -7.225 1.00 0.00 H new ATOM 0 HG21 THR A 389 -6.276 -8.608 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 389 -4.865 -7.527 -3.915 1.00 0.00 H new ATOM 0 HG23 THR A 389 -6.463 -6.943 -4.436 1.00 0.00 H new ATOM 594 N ASN A 399 0.782 -16.690 -6.665 1.00 0.00 N ATOM 595 CA ASN A 399 0.358 -16.138 -5.383 1.00 0.00 C ATOM 596 C ASN A 399 -0.565 -14.941 -5.590 1.00 0.00 C ATOM 597 O ASN A 399 -1.047 -14.702 -6.696 1.00 0.00 O ATOM 598 CB ASN A 399 1.576 -15.722 -4.554 1.00 0.00 C ATOM 599 CG ASN A 399 2.627 -16.811 -4.479 1.00 0.00 C ATOM 600 OD1 ASN A 399 2.714 -17.539 -3.490 1.00 0.00 O ATOM 601 ND2 ASN A 399 3.430 -16.928 -5.528 1.00 0.00 N ATOM 0 HA ASN A 399 -0.190 -16.911 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 399 2.017 -14.825 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 399 1.254 -15.463 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 399 4.157 -17.644 -5.537 1.00 0.00 H new ATOM 0 HD22 ASN A 399 3.321 -16.302 -6.326 1.00 0.00 H new ATOM 608 N SER A 400 -0.804 -14.191 -4.520 1.00 0.00 N ATOM 609 CA SER A 400 -1.664 -13.018 -4.586 1.00 0.00 C ATOM 610 C SER A 400 -0.832 -11.757 -4.777 1.00 0.00 C ATOM 611 O SER A 400 -0.262 -11.227 -3.824 1.00 0.00 O ATOM 612 CB SER A 400 -2.508 -12.902 -3.315 1.00 0.00 C ATOM 613 OG SER A 400 -3.819 -13.398 -3.525 1.00 0.00 O ATOM 0 H SER A 400 -0.413 -14.376 -3.596 1.00 0.00 H new ATOM 0 HA SER A 400 -2.331 -13.130 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 400 -2.031 -13.457 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 400 -2.556 -11.859 -3.001 1.00 0.00 H new ATOM 0 HG SER A 400 -4.419 -13.038 -2.839 1.00 0.00 H new ATOM 619 N ILE A 401 -0.759 -11.281 -6.015 1.00 0.00 N ATOM 620 CA ILE A 401 0.011 -10.086 -6.324 1.00 0.00 C ATOM 621 C ILE A 401 -0.855 -8.832 -6.212 1.00 0.00 C ATOM 622 O ILE A 401 -1.922 -8.747 -6.820 1.00 0.00 O ATOM 623 CB ILE A 401 0.642 -10.175 -7.733 1.00 0.00 C ATOM 624 CG1 ILE A 401 1.936 -9.365 -7.787 1.00 0.00 C ATOM 625 CG2 ILE A 401 -0.331 -9.703 -8.808 1.00 0.00 C ATOM 626 CD1 ILE A 401 1.744 -7.894 -7.482 1.00 0.00 C ATOM 0 H ILE A 401 -1.223 -11.705 -6.818 1.00 0.00 H new ATOM 0 HA ILE A 401 0.816 -10.018 -5.592 1.00 0.00 H new ATOM 0 HB ILE A 401 0.874 -11.221 -7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 401 2.648 -9.785 -7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 401 2.378 -9.467 -8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 401 0.143 -9.778 -9.786 1.00 0.00 H new ATOM 0 HG22 ILE A 401 -1.225 -10.327 -8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 401 -0.608 -8.666 -8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 401 2.705 -7.382 -7.539 1.00 0.00 H new ATOM 0 HD12 ILE A 401 1.057 -7.458 -8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 401 1.332 -7.781 -6.479 1.00 0.00 H new ATOM 638 N VAL A 402 -0.390 -7.864 -5.429 1.00 0.00 N ATOM 639 CA VAL A 402 -1.123 -6.622 -5.239 1.00 0.00 C ATOM 640 C VAL A 402 -0.236 -5.413 -5.504 1.00 0.00 C ATOM 641 O VAL A 402 0.988 -5.491 -5.396 1.00 0.00 O ATOM 642 CB VAL A 402 -1.701 -6.521 -3.816 1.00 0.00 C ATOM 643 CG1 VAL A 402 -2.626 -5.320 -3.697 1.00 0.00 C ATOM 644 CG2 VAL A 402 -2.430 -7.804 -3.443 1.00 0.00 C ATOM 0 H VAL A 402 0.491 -7.918 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.945 -6.629 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 402 -0.875 -6.383 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 402 -3.024 -5.266 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 402 -2.069 -4.409 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -3.448 -5.423 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 402 -2.832 -7.714 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 402 -3.246 -7.976 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 402 -1.735 -8.642 -3.483 1.00 0.00 H new ATOM 654 N GLU A 403 -0.863 -4.295 -5.853 1.00 0.00 N ATOM 655 CA GLU A 403 -0.134 -3.067 -6.136 1.00 0.00 C ATOM 656 C GLU A 403 -0.879 -1.852 -5.593 1.00 0.00 C ATOM 657 O GLU A 403 -1.984 -1.540 -6.037 1.00 0.00 O ATOM 658 CB GLU A 403 0.085 -2.914 -7.642 1.00 0.00 C ATOM 659 CG GLU A 403 1.375 -3.550 -8.137 1.00 0.00 C ATOM 660 CD GLU A 403 1.157 -4.464 -9.327 1.00 0.00 C ATOM 661 OE1 GLU A 403 1.206 -3.968 -10.472 1.00 0.00 O ATOM 662 OE2 GLU A 403 0.940 -5.674 -9.113 1.00 0.00 O ATOM 0 H GLU A 403 -1.876 -4.215 -5.946 1.00 0.00 H new ATOM 0 HA GLU A 403 0.834 -3.128 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 403 -0.757 -3.361 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 403 0.093 -1.854 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 403 2.080 -2.765 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 403 1.830 -4.119 -7.326 1.00 0.00 H new ATOM 669 N CYS A 404 -0.266 -1.172 -4.632 1.00 0.00 N ATOM 670 CA CYS A 404 -0.868 0.011 -4.028 1.00 0.00 C ATOM 671 C CYS A 404 -0.733 1.215 -4.952 1.00 0.00 C ATOM 672 O CYS A 404 0.371 1.710 -5.183 1.00 0.00 O ATOM 673 CB CYS A 404 -0.209 0.315 -2.682 1.00 0.00 C ATOM 674 SG CYS A 404 -0.870 1.777 -1.846 1.00 0.00 S ATOM 0 H CYS A 404 0.648 -1.419 -4.254 1.00 0.00 H new ATOM 0 HA CYS A 404 -1.927 -0.191 -3.869 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -0.329 -0.549 -2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 404 0.861 0.452 -2.837 1.00 0.00 H new ATOM 0 HG CYS A 404 -1.713 1.408 -0.928 1.00 0.00 H new ATOM 680 N ARG A 405 -1.859 1.686 -5.476 1.00 0.00 N ATOM 681 CA ARG A 405 -1.861 2.834 -6.370 1.00 0.00 C ATOM 682 C ARG A 405 -2.467 4.051 -5.686 1.00 0.00 C ATOM 683 O ARG A 405 -3.448 3.938 -4.950 1.00 0.00 O ATOM 684 CB ARG A 405 -2.635 2.514 -7.649 1.00 0.00 C ATOM 685 CG ARG A 405 -1.966 1.460 -8.518 1.00 0.00 C ATOM 686 CD ARG A 405 -2.945 0.374 -8.935 1.00 0.00 C ATOM 687 NE ARG A 405 -2.262 -0.859 -9.323 1.00 0.00 N ATOM 688 CZ ARG A 405 -1.685 -1.044 -10.508 1.00 0.00 C ATOM 689 NH1 ARG A 405 -1.704 -0.081 -11.421 1.00 0.00 N ATOM 690 NH2 ARG A 405 -1.087 -2.195 -10.781 1.00 0.00 N ATOM 0 H ARG A 405 -2.781 1.289 -5.296 1.00 0.00 H new ATOM 0 HA ARG A 405 -0.827 3.061 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -3.635 2.172 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -2.755 3.429 -8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -1.546 1.933 -9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -1.135 1.012 -7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -3.628 0.166 -8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -3.550 0.731 -9.769 1.00 0.00 H new ATOM 0 HE ARG A 405 -2.226 -1.621 -8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -2.163 0.807 -11.216 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -1.260 -0.229 -12.327 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -1.069 -2.939 -10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -0.645 -2.337 -11.689 1.00 0.00 H new ATOM 702 N VAL A 406 -1.876 5.214 -5.929 1.00 0.00 N ATOM 703 CA VAL A 406 -2.359 6.451 -5.332 1.00 0.00 C ATOM 704 C VAL A 406 -2.731 7.475 -6.398 1.00 0.00 C ATOM 705 O VAL A 406 -2.263 7.404 -7.535 1.00 0.00 O ATOM 706 CB VAL A 406 -1.309 7.068 -4.388 1.00 0.00 C ATOM 707 CG1 VAL A 406 -1.031 6.136 -3.217 1.00 0.00 C ATOM 708 CG2 VAL A 406 -0.027 7.386 -5.144 1.00 0.00 C ATOM 0 H VAL A 406 -1.063 5.326 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 406 -3.249 6.193 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 406 -1.708 8.002 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 406 -0.287 6.588 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -1.952 5.968 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 406 -0.654 5.184 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 406 0.701 7.821 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 406 0.380 6.470 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -0.242 8.096 -5.943 1.00 0.00 H new ATOM 744 N THR A 410 -0.737 5.945 -9.662 1.00 0.00 N ATOM 745 CA THR A 410 0.691 5.860 -9.389 1.00 0.00 C ATOM 746 C THR A 410 0.974 4.834 -8.297 1.00 0.00 C ATOM 747 O THR A 410 0.676 5.061 -7.125 1.00 0.00 O ATOM 748 CB THR A 410 1.236 7.227 -8.973 1.00 0.00 C ATOM 749 OG1 THR A 410 0.969 8.198 -9.969 1.00 0.00 O ATOM 750 CG2 THR A 410 2.729 7.224 -8.724 1.00 0.00 C ATOM 0 HA THR A 410 1.192 5.541 -10.303 1.00 0.00 H new ATOM 0 HB THR A 410 0.728 7.469 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 410 0.172 7.936 -10.476 1.00 0.00 H new ATOM 0 HG21 THR A 410 3.051 8.224 -8.433 1.00 0.00 H new ATOM 0 HG22 THR A 410 2.963 6.520 -7.925 1.00 0.00 H new ATOM 0 HG23 THR A 410 3.249 6.926 -9.634 1.00 0.00 H new ATOM 758 N VAL A 411 1.550 3.702 -8.691 1.00 0.00 N ATOM 759 CA VAL A 411 1.871 2.642 -7.744 1.00 0.00 C ATOM 760 C VAL A 411 3.038 3.040 -6.848 1.00 0.00 C ATOM 761 O VAL A 411 4.141 3.305 -7.327 1.00 0.00 O ATOM 762 CB VAL A 411 2.211 1.324 -8.469 1.00 0.00 C ATOM 763 CG1 VAL A 411 3.445 1.492 -9.342 1.00 0.00 C ATOM 764 CG2 VAL A 411 2.406 0.197 -7.465 1.00 0.00 C ATOM 0 H VAL A 411 1.803 3.496 -9.657 1.00 0.00 H new ATOM 0 HA VAL A 411 0.985 2.487 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 411 1.374 1.063 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 411 3.667 0.550 -9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 411 3.261 2.266 -10.087 1.00 0.00 H new ATOM 0 HG13 VAL A 411 4.293 1.781 -8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 411 2.645 -0.725 -7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 411 3.223 0.449 -6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 411 1.490 0.058 -6.891 1.00 0.00 H new ATOM 774 N LEU A 412 2.784 3.082 -5.546 1.00 0.00 N ATOM 775 CA LEU A 412 3.806 3.447 -4.578 1.00 0.00 C ATOM 776 C LEU A 412 4.315 2.222 -3.823 1.00 0.00 C ATOM 777 O LEU A 412 5.406 2.244 -3.253 1.00 0.00 O ATOM 778 CB LEU A 412 3.253 4.473 -3.588 1.00 0.00 C ATOM 779 CG LEU A 412 4.279 5.470 -3.046 1.00 0.00 C ATOM 780 CD1 LEU A 412 4.352 6.698 -3.941 1.00 0.00 C ATOM 781 CD2 LEU A 412 3.932 5.867 -1.619 1.00 0.00 C ATOM 0 H LEU A 412 1.875 2.867 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 412 4.642 3.885 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.451 5.029 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 412 2.808 3.941 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 412 5.258 4.991 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 412 5.087 7.397 -3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 412 4.647 6.398 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 412 3.375 7.180 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 412 4.672 6.577 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 412 2.945 6.329 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 412 3.930 4.980 -0.985 1.00 0.00 H new ATOM 793 N GLY A 413 3.518 1.156 -3.814 1.00 0.00 N ATOM 794 CA GLY A 413 3.916 -0.053 -3.115 1.00 0.00 C ATOM 795 C GLY A 413 3.413 -1.319 -3.782 1.00 0.00 C ATOM 796 O GLY A 413 2.207 -1.542 -3.877 1.00 0.00 O ATOM 0 H GLY A 413 2.610 1.108 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 413 5.004 -0.089 -3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 413 3.541 -0.015 -2.092 1.00 0.00 H new ATOM 800 N THR A 414 4.343 -2.151 -4.240 1.00 0.00 N ATOM 801 CA THR A 414 4.000 -3.404 -4.896 1.00 0.00 C ATOM 802 C THR A 414 4.607 -4.586 -4.144 1.00 0.00 C ATOM 803 O THR A 414 5.777 -4.553 -3.763 1.00 0.00 O ATOM 804 CB THR A 414 4.498 -3.386 -6.341 1.00 0.00 C ATOM 805 OG1 THR A 414 3.816 -2.398 -7.093 1.00 0.00 O ATOM 806 CG2 THR A 414 4.326 -4.708 -7.059 1.00 0.00 C ATOM 0 H THR A 414 5.345 -1.977 -4.167 1.00 0.00 H new ATOM 0 HA THR A 414 2.916 -3.515 -4.894 1.00 0.00 H new ATOM 0 HB THR A 414 5.564 -3.169 -6.272 1.00 0.00 H new ATOM 0 HG1 THR A 414 4.079 -2.464 -8.035 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.701 -4.620 -8.079 1.00 0.00 H new ATOM 0 HG22 THR A 414 4.884 -5.483 -6.533 1.00 0.00 H new ATOM 0 HG23 THR A 414 3.269 -4.974 -7.083 1.00 0.00 H new ATOM 814 N GLY A 415 3.809 -5.627 -3.929 1.00 0.00 N ATOM 815 CA GLY A 415 4.297 -6.797 -3.221 1.00 0.00 C ATOM 816 C GLY A 415 3.386 -8.000 -3.368 1.00 0.00 C ATOM 817 O GLY A 415 2.165 -7.860 -3.443 1.00 0.00 O ATOM 0 H GLY A 415 2.836 -5.682 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 415 5.290 -7.052 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 415 4.405 -6.556 -2.163 1.00 0.00 H new ATOM 821 N VAL A 416 3.984 -9.186 -3.406 1.00 0.00 N ATOM 822 CA VAL A 416 3.234 -10.425 -3.540 1.00 0.00 C ATOM 823 C VAL A 416 2.955 -11.042 -2.173 1.00 0.00 C ATOM 824 O VAL A 416 3.598 -10.696 -1.183 1.00 0.00 O ATOM 825 CB VAL A 416 4.008 -11.438 -4.401 1.00 0.00 C ATOM 826 CG1 VAL A 416 3.171 -12.682 -4.657 1.00 0.00 C ATOM 827 CG2 VAL A 416 4.449 -10.802 -5.711 1.00 0.00 C ATOM 0 H VAL A 416 4.994 -9.313 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 416 2.288 -10.186 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 416 4.900 -11.740 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 416 3.739 -13.384 -5.268 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.917 -13.151 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 416 2.256 -12.404 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 416 4.995 -11.535 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 416 3.573 -10.465 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.096 -9.950 -5.502 1.00 0.00 H new ATOM 837 N GLY A 417 1.994 -11.957 -2.126 1.00 0.00 N ATOM 838 CA GLY A 417 1.651 -12.606 -0.873 1.00 0.00 C ATOM 839 C GLY A 417 0.734 -13.797 -1.068 1.00 0.00 C ATOM 840 O GLY A 417 0.105 -13.939 -2.116 1.00 0.00 O ATOM 0 H GLY A 417 1.447 -12.261 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.564 -12.932 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 417 1.169 -11.884 -0.214 1.00 0.00 H new ATOM 844 N ARG A 418 0.657 -14.656 -0.057 1.00 0.00 N ATOM 845 CA ARG A 418 -0.191 -15.840 -0.123 1.00 0.00 C ATOM 846 C ARG A 418 -1.646 -15.453 -0.360 1.00 0.00 C ATOM 847 O ARG A 418 -2.392 -16.174 -1.022 1.00 0.00 O ATOM 848 CB ARG A 418 -0.071 -16.651 1.170 1.00 0.00 C ATOM 849 CG ARG A 418 1.279 -17.333 1.338 1.00 0.00 C ATOM 850 CD ARG A 418 1.789 -17.220 2.766 1.00 0.00 C ATOM 851 NE ARG A 418 3.230 -16.983 2.816 1.00 0.00 N ATOM 852 CZ ARG A 418 3.971 -17.149 3.909 1.00 0.00 C ATOM 853 NH1 ARG A 418 3.413 -17.551 5.044 1.00 0.00 N ATOM 854 NH2 ARG A 418 5.276 -16.912 3.867 1.00 0.00 N ATOM 0 H ARG A 418 1.172 -14.554 0.818 1.00 0.00 H new ATOM 0 HA ARG A 418 0.145 -16.452 -0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.244 -15.991 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -0.856 -17.407 1.189 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.193 -18.384 1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 418 2.001 -16.884 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 418 1.270 -16.406 3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 418 1.553 -18.135 3.309 1.00 0.00 H new ATOM 0 HE ARG A 418 3.695 -16.672 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 418 2.410 -17.735 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 418 3.987 -17.676 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 418 5.710 -16.603 2.997 1.00 0.00 H new ATOM 0 HH22 ARG A 418 5.845 -17.039 4.704 1.00 0.00 H new ATOM 866 N ASN A 419 -2.044 -14.308 0.186 1.00 0.00 N ATOM 867 CA ASN A 419 -3.410 -13.820 0.034 1.00 0.00 C ATOM 868 C ASN A 419 -3.452 -12.297 0.093 1.00 0.00 C ATOM 869 O ASN A 419 -2.417 -11.642 0.202 1.00 0.00 O ATOM 870 CB ASN A 419 -4.318 -14.411 1.119 1.00 0.00 C ATOM 871 CG ASN A 419 -3.623 -14.533 2.461 1.00 0.00 C ATOM 872 OD1 ASN A 419 -2.680 -15.310 2.617 1.00 0.00 O ATOM 873 ND2 ASN A 419 -4.086 -13.763 3.439 1.00 0.00 N ATOM 0 H ASN A 419 -1.439 -13.700 0.738 1.00 0.00 H new ATOM 0 HA ASN A 419 -3.774 -14.140 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -5.203 -13.783 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -4.663 -15.395 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -3.658 -13.801 4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -4.870 -13.134 3.265 1.00 0.00 H new ATOM 880 N ILE A 420 -4.656 -11.739 0.014 1.00 0.00 N ATOM 881 CA ILE A 420 -4.831 -10.292 0.055 1.00 0.00 C ATOM 882 C ILE A 420 -4.244 -9.698 1.332 1.00 0.00 C ATOM 883 O ILE A 420 -3.791 -8.554 1.344 1.00 0.00 O ATOM 884 CB ILE A 420 -6.318 -9.899 -0.048 1.00 0.00 C ATOM 885 CG1 ILE A 420 -6.961 -10.558 -1.270 1.00 0.00 C ATOM 886 CG2 ILE A 420 -6.464 -8.387 -0.120 1.00 0.00 C ATOM 887 CD1 ILE A 420 -7.685 -11.846 -0.952 1.00 0.00 C ATOM 0 H ILE A 420 -5.524 -12.267 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 420 -4.298 -9.888 -0.806 1.00 0.00 H new ATOM 0 HB ILE A 420 -6.832 -10.253 0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -7.664 -9.858 -1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -6.189 -10.759 -2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -7.520 -8.126 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.040 -7.937 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -5.937 -8.012 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -8.116 -12.256 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -6.982 -12.563 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -8.480 -11.648 -0.233 1.00 0.00 H new ATOM 899 N LYS A 421 -4.256 -10.481 2.406 1.00 0.00 N ATOM 900 CA LYS A 421 -3.724 -10.028 3.688 1.00 0.00 C ATOM 901 C LYS A 421 -2.207 -9.897 3.633 1.00 0.00 C ATOM 902 O LYS A 421 -1.657 -8.818 3.855 1.00 0.00 O ATOM 903 CB LYS A 421 -4.125 -10.995 4.802 1.00 0.00 C ATOM 904 CG LYS A 421 -3.956 -10.418 6.198 1.00 0.00 C ATOM 905 CD LYS A 421 -4.807 -11.160 7.215 1.00 0.00 C ATOM 906 CE LYS A 421 -4.025 -12.277 7.888 1.00 0.00 C ATOM 907 NZ LYS A 421 -4.349 -12.386 9.337 1.00 0.00 N ATOM 0 H LYS A 421 -4.627 -11.431 2.415 1.00 0.00 H new ATOM 0 HA LYS A 421 -4.147 -9.046 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -5.166 -11.286 4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -3.526 -11.902 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -2.907 -10.473 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -4.231 -9.363 6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -5.166 -10.460 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -5.686 -11.576 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -4.246 -13.223 7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -2.957 -12.096 7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -3.796 -13.159 9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -4.115 -11.492 9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -5.364 -12.584 9.452 1.00 0.00 H new ATOM 921 N ILE A 422 -1.541 -11.003 3.336 1.00 0.00 N ATOM 922 CA ILE A 422 -0.086 -11.020 3.249 1.00 0.00 C ATOM 923 C ILE A 422 0.401 -10.121 2.119 1.00 0.00 C ATOM 924 O ILE A 422 1.259 -9.260 2.321 1.00 0.00 O ATOM 925 CB ILE A 422 0.447 -12.455 3.034 1.00 0.00 C ATOM 926 CG1 ILE A 422 0.305 -13.270 4.321 1.00 0.00 C ATOM 927 CG2 ILE A 422 1.901 -12.432 2.578 1.00 0.00 C ATOM 928 CD1 ILE A 422 -1.131 -13.540 4.711 1.00 0.00 C ATOM 0 H ILE A 422 -1.985 -11.903 3.151 1.00 0.00 H new ATOM 0 HA ILE A 422 0.299 -10.643 4.196 1.00 0.00 H new ATOM 0 HB ILE A 422 -0.147 -12.927 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 422 0.824 -14.220 4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 422 0.800 -12.739 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 422 2.253 -13.453 2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 422 1.979 -11.885 1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 422 2.512 -11.941 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -1.155 -14.122 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -1.650 -12.594 4.866 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -1.625 -14.099 3.916 1.00 0.00 H new ATOM 940 N ALA A 423 -0.150 -10.329 0.932 1.00 0.00 N ATOM 941 CA ALA A 423 0.227 -9.541 -0.234 1.00 0.00 C ATOM 942 C ALA A 423 0.069 -8.051 0.040 1.00 0.00 C ATOM 943 O ALA A 423 0.904 -7.241 -0.359 1.00 0.00 O ATOM 944 CB ALA A 423 -0.606 -9.949 -1.440 1.00 0.00 C ATOM 0 H ALA A 423 -0.861 -11.038 0.750 1.00 0.00 H new ATOM 0 HA ALA A 423 1.277 -9.736 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.313 -9.352 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.441 -11.005 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.662 -9.783 -1.226 1.00 0.00 H new ATOM 950 N GLY A 424 -1.010 -7.701 0.730 1.00 0.00 N ATOM 951 CA GLY A 424 -1.262 -6.311 1.056 1.00 0.00 C ATOM 952 C GLY A 424 -0.195 -5.733 1.962 1.00 0.00 C ATOM 953 O GLY A 424 0.299 -4.629 1.724 1.00 0.00 O ATOM 0 H GLY A 424 -1.715 -8.356 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -1.311 -5.727 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.234 -6.224 1.541 1.00 0.00 H new ATOM 957 N ILE A 425 0.169 -6.481 2.997 1.00 0.00 N ATOM 958 CA ILE A 425 1.190 -6.038 3.936 1.00 0.00 C ATOM 959 C ILE A 425 2.546 -5.933 3.243 1.00 0.00 C ATOM 960 O ILE A 425 3.359 -5.072 3.576 1.00 0.00 O ATOM 961 CB ILE A 425 1.302 -6.996 5.139 1.00 0.00 C ATOM 962 CG1 ILE A 425 -0.032 -7.067 5.885 1.00 0.00 C ATOM 963 CG2 ILE A 425 2.416 -6.555 6.079 1.00 0.00 C ATOM 964 CD1 ILE A 425 -0.312 -8.422 6.495 1.00 0.00 C ATOM 0 H ILE A 425 -0.228 -7.397 3.206 1.00 0.00 H new ATOM 0 HA ILE A 425 0.892 -5.055 4.301 1.00 0.00 H new ATOM 0 HB ILE A 425 1.547 -7.990 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -0.039 -6.314 6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -0.838 -6.814 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 425 2.477 -7.245 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 425 3.365 -6.552 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 425 2.205 -5.551 6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -1.274 -8.399 7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -0.338 -9.177 5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 425 0.474 -8.669 7.209 1.00 0.00 H new ATOM 976 N ARG A 426 2.776 -6.811 2.271 1.00 0.00 N ATOM 977 CA ARG A 426 4.029 -6.811 1.527 1.00 0.00 C ATOM 978 C ARG A 426 4.112 -5.589 0.623 1.00 0.00 C ATOM 979 O ARG A 426 5.106 -4.863 0.631 1.00 0.00 O ATOM 980 CB ARG A 426 4.158 -8.092 0.698 1.00 0.00 C ATOM 981 CG ARG A 426 5.013 -9.161 1.359 1.00 0.00 C ATOM 982 CD ARG A 426 6.099 -9.668 0.424 1.00 0.00 C ATOM 983 NE ARG A 426 6.915 -8.580 -0.111 1.00 0.00 N ATOM 984 CZ ARG A 426 8.086 -8.760 -0.717 1.00 0.00 C ATOM 985 NH1 ARG A 426 8.583 -9.981 -0.868 1.00 0.00 N ATOM 986 NH2 ARG A 426 8.763 -7.715 -1.175 1.00 0.00 N ATOM 0 H ARG A 426 2.112 -7.529 1.982 1.00 0.00 H new ATOM 0 HA ARG A 426 4.852 -6.772 2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 426 3.163 -8.497 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 426 4.587 -7.845 -0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 426 5.470 -8.755 2.262 1.00 0.00 H new ATOM 0 HG3 ARG A 426 4.381 -9.993 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 426 6.738 -10.371 0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 426 5.641 -10.216 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 426 6.566 -7.626 -0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 426 8.067 -10.788 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 426 9.481 -10.112 -1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 426 8.386 -6.774 -1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 426 9.661 -7.853 -1.640 1.00 0.00 H new ATOM 998 N ALA A 427 3.056 -5.362 -0.147 1.00 0.00 N ATOM 999 CA ALA A 427 3.002 -4.219 -1.048 1.00 0.00 C ATOM 1000 C ALA A 427 3.051 -2.919 -0.257 1.00 0.00 C ATOM 1001 O ALA A 427 3.785 -1.993 -0.604 1.00 0.00 O ATOM 1002 CB ALA A 427 1.747 -4.276 -1.906 1.00 0.00 C ATOM 0 H ALA A 427 2.226 -5.954 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 427 3.869 -4.255 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.723 -3.414 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.751 -5.192 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.866 -4.262 -1.264 1.00 0.00 H new ATOM 1008 N ALA A 428 2.274 -2.868 0.816 1.00 0.00 N ATOM 1009 CA ALA A 428 2.231 -1.693 1.674 1.00 0.00 C ATOM 1010 C ALA A 428 3.581 -1.474 2.341 1.00 0.00 C ATOM 1011 O ALA A 428 4.051 -0.343 2.465 1.00 0.00 O ATOM 1012 CB ALA A 428 1.141 -1.845 2.724 1.00 0.00 C ATOM 0 H ALA A 428 1.663 -3.629 1.113 1.00 0.00 H new ATOM 0 HA ALA A 428 2.003 -0.822 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 428 1.121 -0.959 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 428 0.175 -1.961 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.345 -2.724 3.335 1.00 0.00 H new ATOM 1018 N GLU A 429 4.206 -2.569 2.758 1.00 0.00 N ATOM 1019 CA GLU A 429 5.510 -2.501 3.401 1.00 0.00 C ATOM 1020 C GLU A 429 6.546 -1.968 2.423 1.00 0.00 C ATOM 1021 O GLU A 429 7.427 -1.191 2.794 1.00 0.00 O ATOM 1022 CB GLU A 429 5.929 -3.880 3.912 1.00 0.00 C ATOM 1023 CG GLU A 429 5.446 -4.173 5.322 1.00 0.00 C ATOM 1024 CD GLU A 429 5.770 -5.585 5.769 1.00 0.00 C ATOM 1025 OE1 GLU A 429 5.635 -6.514 4.944 1.00 0.00 O ATOM 1026 OE2 GLU A 429 6.160 -5.763 6.941 1.00 0.00 O ATOM 0 H GLU A 429 3.830 -3.512 2.662 1.00 0.00 H new ATOM 0 HA GLU A 429 5.443 -1.823 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 429 5.541 -4.643 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 429 7.016 -3.954 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 429 5.902 -3.464 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 429 4.368 -4.019 5.372 1.00 0.00 H new ATOM 1033 N ASN A 430 6.419 -2.378 1.166 1.00 0.00 N ATOM 1034 CA ASN A 430 7.331 -1.930 0.124 1.00 0.00 C ATOM 1035 C ASN A 430 7.198 -0.426 -0.072 1.00 0.00 C ATOM 1036 O ASN A 430 8.167 0.262 -0.393 1.00 0.00 O ATOM 1037 CB ASN A 430 7.038 -2.662 -1.190 1.00 0.00 C ATOM 1038 CG ASN A 430 8.088 -3.705 -1.516 1.00 0.00 C ATOM 1039 OD1 ASN A 430 8.263 -4.679 -0.783 1.00 0.00 O ATOM 1040 ND2 ASN A 430 8.796 -3.507 -2.623 1.00 0.00 N ATOM 0 H ASN A 430 5.694 -3.019 0.845 1.00 0.00 H new ATOM 0 HA ASN A 430 8.352 -2.158 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 430 6.061 -3.141 -1.126 1.00 0.00 H new ATOM 0 HB3 ASN A 430 6.985 -1.937 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 430 9.517 -4.176 -2.894 1.00 0.00 H new ATOM 0 HD22 ASN A 430 8.618 -2.686 -3.202 1.00 0.00 H new ATOM 1047 N ALA A 431 5.985 0.080 0.137 1.00 0.00 N ATOM 1048 CA ALA A 431 5.712 1.502 -0.004 1.00 0.00 C ATOM 1049 C ALA A 431 6.185 2.267 1.228 1.00 0.00 C ATOM 1050 O ALA A 431 6.626 3.413 1.128 1.00 0.00 O ATOM 1051 CB ALA A 431 4.226 1.733 -0.236 1.00 0.00 C ATOM 0 H ALA A 431 5.175 -0.479 0.405 1.00 0.00 H new ATOM 0 HA ALA A 431 6.262 1.874 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 431 4.036 2.801 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 431 3.916 1.219 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 431 3.661 1.344 0.611 1.00 0.00 H new ATOM 1057 N LEU A 432 6.094 1.624 2.389 1.00 0.00 N ATOM 1058 CA LEU A 432 6.517 2.243 3.640 1.00 0.00 C ATOM 1059 C LEU A 432 8.038 2.214 3.775 1.00 0.00 C ATOM 1060 O LEU A 432 8.621 3.019 4.501 1.00 0.00 O ATOM 1061 CB LEU A 432 5.876 1.526 4.832 1.00 0.00 C ATOM 1062 CG LEU A 432 4.353 1.657 4.925 1.00 0.00 C ATOM 1063 CD1 LEU A 432 3.744 0.395 5.514 1.00 0.00 C ATOM 1064 CD2 LEU A 432 3.972 2.871 5.759 1.00 0.00 C ATOM 0 H LEU A 432 5.732 0.676 2.489 1.00 0.00 H new ATOM 0 HA LEU A 432 6.189 3.283 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 432 6.132 0.468 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 432 6.316 1.916 5.750 1.00 0.00 H new ATOM 0 HG LEU A 432 3.958 1.793 3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 432 2.661 0.507 5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 432 3.987 -0.457 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 432 4.146 0.229 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 432 2.886 2.948 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 432 4.380 2.764 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 432 4.377 3.771 5.297 1.00 0.00 H new ATOM 1076 N ARG A 433 8.677 1.282 3.070 1.00 0.00 N ATOM 1077 CA ARG A 433 10.130 1.151 3.115 1.00 0.00 C ATOM 1078 C ARG A 433 10.811 2.424 2.624 1.00 0.00 C ATOM 1079 O ARG A 433 11.775 2.895 3.226 1.00 0.00 O ATOM 1080 CB ARG A 433 10.581 -0.043 2.270 1.00 0.00 C ATOM 1081 CG ARG A 433 10.900 -1.282 3.089 1.00 0.00 C ATOM 1082 CD ARG A 433 11.595 -2.341 2.251 1.00 0.00 C ATOM 1083 NE ARG A 433 12.998 -2.015 2.009 1.00 0.00 N ATOM 1084 CZ ARG A 433 13.905 -2.898 1.595 1.00 0.00 C ATOM 1085 NH1 ARG A 433 13.559 -4.160 1.375 1.00 0.00 N ATOM 1086 NH2 ARG A 433 15.160 -2.517 1.401 1.00 0.00 N ATOM 0 H ARG A 433 8.211 0.608 2.462 1.00 0.00 H new ATOM 0 HA ARG A 433 10.421 0.985 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 433 9.798 -0.285 1.551 1.00 0.00 H new ATOM 0 HB3 ARG A 433 11.464 0.241 1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 433 11.535 -1.009 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 433 9.979 -1.692 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 433 11.529 -3.304 2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 433 11.078 -2.446 1.297 1.00 0.00 H new ATOM 0 HE ARG A 433 13.301 -1.054 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 433 12.595 -4.458 1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 433 14.257 -4.832 1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 433 15.431 -1.548 1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 433 15.855 -3.193 1.084 1.00 0.00 H new ATOM 1098 N ASP A 434 10.302 2.973 1.529 1.00 0.00 N ATOM 1099 CA ASP A 434 10.860 4.193 0.952 1.00 0.00 C ATOM 1100 C ASP A 434 10.770 5.349 1.942 1.00 0.00 C ATOM 1101 O ASP A 434 9.828 6.138 1.905 1.00 0.00 O ATOM 1102 CB ASP A 434 10.126 4.554 -0.341 1.00 0.00 C ATOM 1103 CG ASP A 434 10.463 3.610 -1.478 1.00 0.00 C ATOM 1104 OD1 ASP A 434 10.730 2.421 -1.205 1.00 0.00 O ATOM 1105 OD2 ASP A 434 10.461 4.061 -2.643 1.00 0.00 O ATOM 0 H ASP A 434 9.503 2.594 1.021 1.00 0.00 H new ATOM 0 HA ASP A 434 11.911 4.012 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 434 9.051 4.535 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 434 10.383 5.573 -0.630 1.00 0.00 H new ATOM 1110 N LYS A 435 11.758 5.439 2.826 1.00 0.00 N ATOM 1111 CA LYS A 435 11.793 6.497 3.830 1.00 0.00 C ATOM 1112 C LYS A 435 11.764 7.871 3.175 1.00 0.00 C ATOM 1113 O LYS A 435 11.124 8.795 3.678 1.00 0.00 O ATOM 1114 CB LYS A 435 13.041 6.359 4.705 1.00 0.00 C ATOM 1115 CG LYS A 435 14.344 6.508 3.934 1.00 0.00 C ATOM 1116 CD LYS A 435 15.546 6.197 4.809 1.00 0.00 C ATOM 1117 CE LYS A 435 15.603 4.723 5.175 1.00 0.00 C ATOM 1118 NZ LYS A 435 15.558 3.850 3.969 1.00 0.00 N ATOM 0 H LYS A 435 12.545 4.792 2.868 1.00 0.00 H new ATOM 0 HA LYS A 435 10.907 6.397 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 435 13.007 7.111 5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 435 13.027 5.384 5.193 1.00 0.00 H new ATOM 0 HG2 LYS A 435 14.337 5.840 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 435 14.426 7.524 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 435 16.460 6.479 4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 435 15.501 6.797 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 435 16.517 4.523 5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 435 14.768 4.479 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 15.915 2.904 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 14.577 3.774 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 16.151 4.262 3.220 1.00 0.00 H new ATOM 1132 N LYS A 436 12.452 7.999 2.048 1.00 0.00 N ATOM 1133 CA LYS A 436 12.493 9.263 1.326 1.00 0.00 C ATOM 1134 C LYS A 436 11.104 9.632 0.829 1.00 0.00 C ATOM 1135 O LYS A 436 10.549 10.666 1.201 1.00 0.00 O ATOM 1136 CB LYS A 436 13.464 9.182 0.149 1.00 0.00 C ATOM 1137 CG LYS A 436 14.546 10.247 0.183 1.00 0.00 C ATOM 1138 CD LYS A 436 13.950 11.643 0.292 1.00 0.00 C ATOM 1139 CE LYS A 436 14.202 12.458 -0.967 1.00 0.00 C ATOM 1140 NZ LYS A 436 15.581 13.018 -1.000 1.00 0.00 N ATOM 0 H LYS A 436 12.987 7.246 1.616 1.00 0.00 H new ATOM 0 HA LYS A 436 12.842 10.036 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 436 13.933 8.198 0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 436 12.904 9.274 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 436 15.210 10.066 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 436 15.154 10.179 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 436 12.877 11.569 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 436 14.380 12.157 1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 436 14.044 11.830 -1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 436 13.479 13.271 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 15.712 13.566 -1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 15.724 13.638 -0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 16.272 12.241 -0.972 1.00 0.00 H new ATOM 1154 N MET A 437 10.545 8.769 -0.010 1.00 0.00 N ATOM 1155 CA MET A 437 9.214 8.988 -0.557 1.00 0.00 C ATOM 1156 C MET A 437 8.201 9.166 0.566 1.00 0.00 C ATOM 1157 O MET A 437 7.195 9.855 0.406 1.00 0.00 O ATOM 1158 CB MET A 437 8.809 7.816 -1.454 1.00 0.00 C ATOM 1159 CG MET A 437 7.408 7.945 -2.032 1.00 0.00 C ATOM 1160 SD MET A 437 7.366 7.699 -3.818 1.00 0.00 S ATOM 1161 CE MET A 437 6.627 9.240 -4.356 1.00 0.00 C ATOM 0 H MET A 437 10.994 7.910 -0.326 1.00 0.00 H new ATOM 0 HA MET A 437 9.232 9.898 -1.157 1.00 0.00 H new ATOM 0 HB2 MET A 437 9.524 7.732 -2.272 1.00 0.00 H new ATOM 0 HB3 MET A 437 8.872 6.892 -0.880 1.00 0.00 H new ATOM 0 HG2 MET A 437 6.754 7.216 -1.554 1.00 0.00 H new ATOM 0 HG3 MET A 437 7.012 8.933 -1.796 1.00 0.00 H new ATOM 0 HE1 MET A 437 6.850 9.402 -5.410 1.00 0.00 H new ATOM 0 HE2 MET A 437 5.547 9.194 -4.217 1.00 0.00 H new ATOM 0 HE3 MET A 437 7.033 10.063 -3.768 1.00 0.00 H new ATOM 1171 N LEU A 438 8.482 8.549 1.710 1.00 0.00 N ATOM 1172 CA LEU A 438 7.601 8.654 2.863 1.00 0.00 C ATOM 1173 C LEU A 438 7.833 9.977 3.580 1.00 0.00 C ATOM 1174 O LEU A 438 6.911 10.556 4.153 1.00 0.00 O ATOM 1175 CB LEU A 438 7.832 7.486 3.823 1.00 0.00 C ATOM 1176 CG LEU A 438 6.615 7.087 4.658 1.00 0.00 C ATOM 1177 CD1 LEU A 438 6.070 8.292 5.408 1.00 0.00 C ATOM 1178 CD2 LEU A 438 5.541 6.475 3.771 1.00 0.00 C ATOM 0 H LEU A 438 9.311 7.974 1.861 1.00 0.00 H new ATOM 0 HA LEU A 438 6.569 8.616 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 438 8.158 6.620 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 438 8.648 7.745 4.498 1.00 0.00 H new ATOM 0 HG LEU A 438 6.923 6.339 5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 438 5.204 7.992 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 438 6.840 8.688 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 438 5.774 9.061 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 438 4.681 6.196 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 438 5.233 7.201 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 438 5.939 5.588 3.277 1.00 0.00 H new ATOM 1190 N ASP A 439 9.072 10.457 3.533 1.00 0.00 N ATOM 1191 CA ASP A 439 9.426 11.718 4.167 1.00 0.00 C ATOM 1192 C ASP A 439 8.765 12.882 3.438 1.00 0.00 C ATOM 1193 O ASP A 439 8.318 13.846 4.060 1.00 0.00 O ATOM 1194 CB ASP A 439 10.946 11.899 4.183 1.00 0.00 C ATOM 1195 CG ASP A 439 11.524 11.824 5.583 1.00 0.00 C ATOM 1196 OD1 ASP A 439 10.815 12.204 6.538 1.00 0.00 O ATOM 1197 OD2 ASP A 439 12.685 11.388 5.722 1.00 0.00 O ATOM 0 H ASP A 439 9.847 9.990 3.062 1.00 0.00 H new ATOM 0 HA ASP A 439 9.066 11.701 5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 439 11.407 11.131 3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 439 11.199 12.862 3.740 1.00 0.00 H new ATOM 1202 N PHE A 440 8.704 12.782 2.114 1.00 0.00 N ATOM 1203 CA PHE A 440 8.094 13.823 1.297 1.00 0.00 C ATOM 1204 C PHE A 440 6.597 13.922 1.573 1.00 0.00 C ATOM 1205 O PHE A 440 6.041 15.018 1.659 1.00 0.00 O ATOM 1206 CB PHE A 440 8.328 13.539 -0.185 1.00 0.00 C ATOM 1207 CG PHE A 440 8.446 14.780 -1.023 1.00 0.00 C ATOM 1208 CD1 PHE A 440 7.356 15.616 -1.202 1.00 0.00 C ATOM 1209 CD2 PHE A 440 9.646 15.109 -1.631 1.00 0.00 C ATOM 1210 CE1 PHE A 440 7.461 16.760 -1.972 1.00 0.00 C ATOM 1211 CE2 PHE A 440 9.758 16.251 -2.402 1.00 0.00 C ATOM 1212 CZ PHE A 440 8.664 17.077 -2.573 1.00 0.00 C ATOM 0 H PHE A 440 9.070 11.990 1.585 1.00 0.00 H new ATOM 0 HA PHE A 440 8.560 14.773 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 440 9.238 12.949 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.506 12.931 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 440 6.413 15.372 -0.735 1.00 0.00 H new ATOM 0 HD2 PHE A 440 10.504 14.466 -1.501 1.00 0.00 H new ATOM 0 HE1 PHE A 440 6.604 17.404 -2.103 1.00 0.00 H new ATOM 0 HE2 PHE A 440 10.700 16.497 -2.870 1.00 0.00 H new ATOM 0 HZ PHE A 440 8.749 17.969 -3.176 1.00 0.00 H new ATOM 1222 N TYR A 441 5.950 12.770 1.718 1.00 0.00 N ATOM 1223 CA TYR A 441 4.522 12.720 1.992 1.00 0.00 C ATOM 1224 C TYR A 441 4.263 12.945 3.469 1.00 0.00 C ATOM 1225 O TYR A 441 3.340 13.664 3.844 1.00 0.00 O ATOM 1226 CB TYR A 441 3.945 11.376 1.558 1.00 0.00 C ATOM 1227 CG TYR A 441 3.544 11.329 0.101 1.00 0.00 C ATOM 1228 CD1 TYR A 441 4.476 11.039 -0.887 1.00 0.00 C ATOM 1229 CD2 TYR A 441 2.234 11.574 -0.282 1.00 0.00 C ATOM 1230 CE1 TYR A 441 4.110 10.995 -2.219 1.00 0.00 C ATOM 1231 CE2 TYR A 441 1.861 11.531 -1.610 1.00 0.00 C ATOM 1232 CZ TYR A 441 2.801 11.241 -2.576 1.00 0.00 C ATOM 1233 OH TYR A 441 2.433 11.198 -3.901 1.00 0.00 O ATOM 0 H TYR A 441 6.396 11.855 1.650 1.00 0.00 H new ATOM 0 HA TYR A 441 4.032 13.511 1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 441 4.682 10.596 1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 441 3.074 11.149 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 441 5.502 10.845 -0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 441 1.494 11.802 0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.846 10.769 -2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 441 0.836 11.724 -1.892 1.00 0.00 H new ATOM 0 HH TYR A 441 1.476 11.393 -3.981 1.00 0.00 H new ATOM 1243 N ALA A 442 5.091 12.341 4.309 1.00 0.00 N ATOM 1244 CA ALA A 442 4.951 12.495 5.748 1.00 0.00 C ATOM 1245 C ALA A 442 5.013 13.971 6.129 1.00 0.00 C ATOM 1246 O ALA A 442 4.402 14.398 7.108 1.00 0.00 O ATOM 1247 CB ALA A 442 6.025 11.703 6.481 1.00 0.00 C ATOM 0 H ALA A 442 5.864 11.742 4.019 1.00 0.00 H new ATOM 0 HA ALA A 442 3.979 12.101 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 442 5.902 11.832 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 442 5.933 10.646 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 442 7.010 12.063 6.183 1.00 0.00 H new ATOM 1253 N LYS A 443 5.738 14.751 5.328 1.00 0.00 N ATOM 1254 CA LYS A 443 5.859 16.185 5.559 1.00 0.00 C ATOM 1255 C LYS A 443 4.732 16.933 4.850 1.00 0.00 C ATOM 1256 O LYS A 443 4.677 18.163 4.872 1.00 0.00 O ATOM 1257 CB LYS A 443 7.216 16.691 5.068 1.00 0.00 C ATOM 1258 CG LYS A 443 8.333 16.521 6.086 1.00 0.00 C ATOM 1259 CD LYS A 443 8.749 17.856 6.686 1.00 0.00 C ATOM 1260 CE LYS A 443 8.087 18.093 8.035 1.00 0.00 C ATOM 1261 NZ LYS A 443 6.991 19.098 7.945 1.00 0.00 N ATOM 0 H LYS A 443 6.250 14.411 4.514 1.00 0.00 H new ATOM 0 HA LYS A 443 5.784 16.370 6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 443 7.484 16.160 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 443 7.129 17.746 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 443 8.004 15.851 6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 443 9.193 16.052 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 443 9.833 17.882 6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 443 8.482 18.662 6.002 1.00 0.00 H new ATOM 0 HE2 LYS A 443 7.687 17.152 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 443 8.834 18.433 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 6.565 19.232 8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 7.377 20.003 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 6.265 18.762 7.280 1.00 0.00 H new ATOM 1275 N GLN A 444 3.830 16.175 4.228 1.00 0.00 N ATOM 1276 CA GLN A 444 2.698 16.746 3.520 1.00 0.00 C ATOM 1277 C GLN A 444 1.396 16.318 4.182 1.00 0.00 C ATOM 1278 O GLN A 444 0.521 17.140 4.445 1.00 0.00 O ATOM 1279 CB GLN A 444 2.711 16.314 2.053 1.00 0.00 C ATOM 1280 CG GLN A 444 3.692 17.097 1.196 1.00 0.00 C ATOM 1281 CD GLN A 444 3.538 16.803 -0.283 1.00 0.00 C ATOM 1282 OE1 GLN A 444 3.543 17.712 -1.113 1.00 0.00 O ATOM 1283 NE2 GLN A 444 3.402 15.526 -0.621 1.00 0.00 N ATOM 0 H GLN A 444 3.867 15.156 4.204 1.00 0.00 H new ATOM 0 HA GLN A 444 2.775 17.833 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.959 15.254 1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.709 16.429 1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.548 18.164 1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.710 16.859 1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 444 3.403 14.805 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 444 3.296 15.267 -1.602 1.00 0.00 H new ATOM 1292 N ARG A 445 1.279 15.023 4.454 1.00 0.00 N ATOM 1293 CA ARG A 445 0.081 14.488 5.096 1.00 0.00 C ATOM 1294 C ARG A 445 -0.026 14.974 6.536 1.00 0.00 C ATOM 1295 O ARG A 445 -1.120 15.252 7.028 1.00 0.00 O ATOM 1296 CB ARG A 445 0.084 12.956 5.060 1.00 0.00 C ATOM 1297 CG ARG A 445 1.244 12.328 5.816 1.00 0.00 C ATOM 1298 CD ARG A 445 0.769 11.495 6.997 1.00 0.00 C ATOM 1299 NE ARG A 445 -0.133 12.245 7.872 1.00 0.00 N ATOM 1300 CZ ARG A 445 -0.101 12.191 9.203 1.00 0.00 C ATOM 1301 NH1 ARG A 445 0.773 11.411 9.829 1.00 0.00 N ATOM 1302 NH2 ARG A 445 -0.953 12.918 9.914 1.00 0.00 N ATOM 0 H ARG A 445 1.994 14.327 4.242 1.00 0.00 H new ATOM 0 HA ARG A 445 -0.784 14.850 4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 445 -0.853 12.590 5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 445 0.118 12.626 4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 445 1.821 11.700 5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 445 1.913 13.112 6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 445 0.260 10.604 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 445 1.631 11.156 7.571 1.00 0.00 H new ATOM 0 HE ARG A 445 -0.831 12.847 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 445 1.429 10.845 9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 445 0.788 11.378 10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -1.631 13.517 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -0.931 12.878 10.933 1.00 0.00 H new ATOM 1314 N ALA A 446 1.115 15.083 7.205 1.00 0.00 N ATOM 1315 CA ALA A 446 1.149 15.548 8.585 1.00 0.00 C ATOM 1316 C ALA A 446 1.219 17.069 8.639 1.00 0.00 C ATOM 1317 O ALA A 446 0.875 17.684 9.647 1.00 0.00 O ATOM 1318 CB ALA A 446 2.330 14.934 9.322 1.00 0.00 C ATOM 0 H ALA A 446 2.029 14.856 6.814 1.00 0.00 H new ATOM 0 HA ALA A 446 0.230 15.231 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 446 2.342 15.291 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 446 2.238 13.848 9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 446 3.257 15.223 8.827 1.00 0.00 H new