USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 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 Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0632 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 150:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.04) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.03 K(o=-3,f=-1.1) USER MOD Single : A 32 MET CE :methyl -154:sc= 0 (180deg=-0.577) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.11) USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= 0 (180deg=-1.45) USER MOD Single : A 58 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.25) USER MOD Single : A 59 ASN : amide:sc= -0.569 K(o=-0.57,f=-1.1) USER MOD Single : A 62 MET CE :methyl 155:sc= -0.258 (180deg=-1.05) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= -1.03 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 264 N TYR A 16 -0.470 7.957 0.768 1.00 0.00 N ATOM 265 CA TYR A 16 -0.880 6.571 0.912 1.00 0.00 C ATOM 266 C TYR A 16 -2.139 6.276 0.111 1.00 0.00 C ATOM 267 O TYR A 16 -2.932 7.171 -0.185 1.00 0.00 O ATOM 268 CB TYR A 16 -1.119 6.248 2.385 1.00 0.00 C ATOM 269 CG TYR A 16 -2.098 7.181 3.064 1.00 0.00 C ATOM 270 CD1 TYR A 16 -1.663 8.347 3.681 1.00 0.00 C ATOM 271 CD2 TYR A 16 -3.458 6.894 3.086 1.00 0.00 C ATOM 272 CE1 TYR A 16 -2.555 9.200 4.300 1.00 0.00 C ATOM 273 CE2 TYR A 16 -4.356 7.743 3.704 1.00 0.00 C ATOM 274 CZ TYR A 16 -3.899 8.896 4.309 1.00 0.00 C ATOM 275 OH TYR A 16 -4.789 9.745 4.924 1.00 0.00 O ATOM 0 HA TYR A 16 -0.077 5.944 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.488 5.226 2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.167 6.287 2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.611 8.590 3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.819 5.993 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.201 10.103 4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.410 7.506 3.714 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.697 9.385 4.839 1.00 0.00 H new ATOM 285 N THR A 17 -2.310 5.008 -0.230 1.00 0.00 N ATOM 286 CA THR A 17 -3.471 4.567 -0.995 1.00 0.00 C ATOM 287 C THR A 17 -4.516 3.942 -0.077 1.00 0.00 C ATOM 288 O THR A 17 -4.310 3.841 1.132 1.00 0.00 O ATOM 289 CB THR A 17 -3.078 3.548 -2.083 1.00 0.00 C ATOM 290 OG1 THR A 17 -4.202 3.265 -2.923 1.00 0.00 O ATOM 291 CG2 THR A 17 -2.573 2.256 -1.460 1.00 0.00 C ATOM 0 H THR A 17 -1.658 4.262 0.011 1.00 0.00 H new ATOM 0 HA THR A 17 -3.891 5.449 -1.478 1.00 0.00 H new ATOM 0 HB THR A 17 -2.278 3.985 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.941 2.618 -3.612 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.302 1.554 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.698 2.466 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.356 1.821 -0.840 1.00 0.00 H new ATOM 299 N LYS A 18 -5.636 3.522 -0.657 1.00 0.00 N ATOM 300 CA LYS A 18 -6.711 2.906 0.111 1.00 0.00 C ATOM 301 C LYS A 18 -6.314 1.512 0.588 1.00 0.00 C ATOM 302 O LYS A 18 -6.712 1.076 1.669 1.00 0.00 O ATOM 303 CB LYS A 18 -7.987 2.827 -0.732 1.00 0.00 C ATOM 304 CG LYS A 18 -9.156 2.173 -0.013 1.00 0.00 C ATOM 305 CD LYS A 18 -9.561 2.957 1.223 1.00 0.00 C ATOM 306 CE LYS A 18 -10.695 2.272 1.970 1.00 0.00 C ATOM 307 NZ LYS A 18 -11.109 3.040 3.175 1.00 0.00 N ATOM 0 H LYS A 18 -5.822 3.597 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.899 3.527 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.275 3.834 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.775 2.269 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.006 2.098 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.886 1.156 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.701 3.065 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.869 3.962 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.549 2.154 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.382 1.271 2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.884 2.540 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.301 3.131 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.432 3.986 2.889 1.00 0.00 H new ATOM 321 N TYR A 19 -5.527 0.816 -0.225 1.00 0.00 N ATOM 322 CA TYR A 19 -5.077 -0.530 0.106 1.00 0.00 C ATOM 323 C TYR A 19 -4.136 -0.520 1.310 1.00 0.00 C ATOM 324 O TYR A 19 -4.320 -1.281 2.260 1.00 0.00 O ATOM 325 CB TYR A 19 -4.371 -1.155 -1.098 1.00 0.00 C ATOM 326 CG TYR A 19 -4.410 -2.664 -1.103 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.562 -3.342 -1.475 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.298 -3.409 -0.738 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.607 -4.724 -1.483 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.332 -4.791 -0.743 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.490 -5.443 -1.115 1.00 0.00 C ATOM 332 OH TYR A 19 -4.529 -6.819 -1.122 1.00 0.00 O ATOM 0 H TYR A 19 -5.187 1.164 -1.121 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.953 -1.125 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.834 -0.785 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.332 -0.826 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.439 -2.781 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.391 -2.901 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.511 -5.237 -1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.458 -5.357 -0.458 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.635 -7.171 -1.315 1.00 0.00 H new ATOM 342 N GLN A 20 -3.127 0.343 1.257 1.00 0.00 N ATOM 343 CA GLN A 20 -2.149 0.453 2.335 1.00 0.00 C ATOM 344 C GLN A 20 -2.811 0.831 3.658 1.00 0.00 C ATOM 345 O GLN A 20 -2.598 0.174 4.677 1.00 0.00 O ATOM 346 CB GLN A 20 -1.077 1.481 1.975 1.00 0.00 C ATOM 347 CG GLN A 20 -0.155 1.030 0.854 1.00 0.00 C ATOM 348 CD GLN A 20 0.958 2.022 0.581 1.00 0.00 C ATOM 349 OE1 GLN A 20 2.042 1.930 1.156 1.00 0.00 O ATOM 350 NE2 GLN A 20 0.695 2.981 -0.300 1.00 0.00 N ATOM 0 H GLN A 20 -2.964 0.979 0.476 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.684 -0.525 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.562 2.412 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.480 1.697 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.279 0.064 1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.738 0.885 -0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.218 3.020 -0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.406 3.678 -0.523 1.00 0.00 H new ATOM 359 N THR A 21 -3.611 1.893 3.638 1.00 0.00 N ATOM 360 CA THR A 21 -4.293 2.357 4.841 1.00 0.00 C ATOM 361 C THR A 21 -5.273 1.310 5.364 1.00 0.00 C ATOM 362 O THR A 21 -5.608 1.300 6.546 1.00 0.00 O ATOM 363 CB THR A 21 -5.048 3.675 4.586 1.00 0.00 C ATOM 364 OG1 THR A 21 -5.630 4.153 5.803 1.00 0.00 O ATOM 365 CG2 THR A 21 -6.136 3.481 3.542 1.00 0.00 C ATOM 0 H THR A 21 -3.802 2.447 2.803 1.00 0.00 H new ATOM 0 HA THR A 21 -3.522 2.529 5.592 1.00 0.00 H new ATOM 0 HB THR A 21 -4.333 4.409 4.214 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.106 4.992 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.656 4.425 3.378 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.687 3.147 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.846 2.732 3.892 1.00 0.00 H new ATOM 373 N LEU A 22 -5.730 0.433 4.474 1.00 0.00 N ATOM 374 CA LEU A 22 -6.670 -0.623 4.844 1.00 0.00 C ATOM 375 C LEU A 22 -6.029 -1.612 5.818 1.00 0.00 C ATOM 376 O LEU A 22 -6.603 -1.936 6.856 1.00 0.00 O ATOM 377 CB LEU A 22 -7.163 -1.350 3.583 1.00 0.00 C ATOM 378 CG LEU A 22 -7.231 -2.880 3.672 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.363 -3.321 4.587 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.398 -3.488 2.288 1.00 0.00 C ATOM 0 H LEU A 22 -5.464 0.432 3.489 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.523 -0.166 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.157 -0.976 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.508 -1.083 2.754 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.293 -3.236 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.390 -4.410 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.200 -2.919 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.311 -2.951 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.444 -4.574 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.319 -3.119 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.550 -3.208 1.663 1.00 0.00 H new ATOM 392 N GLU A 23 -4.840 -2.089 5.473 1.00 0.00 N ATOM 393 CA GLU A 23 -4.125 -3.047 6.308 1.00 0.00 C ATOM 394 C GLU A 23 -3.736 -2.431 7.651 1.00 0.00 C ATOM 395 O GLU A 23 -3.888 -3.057 8.704 1.00 0.00 O ATOM 396 CB GLU A 23 -2.879 -3.544 5.573 1.00 0.00 C ATOM 397 CG GLU A 23 -3.190 -4.457 4.398 1.00 0.00 C ATOM 398 CD GLU A 23 -3.969 -5.692 4.804 1.00 0.00 C ATOM 399 OE1 GLU A 23 -3.331 -6.708 5.153 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.217 -5.645 4.773 1.00 0.00 O ATOM 0 H GLU A 23 -4.349 -1.828 4.618 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.788 -3.889 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.312 -2.685 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.240 -4.077 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.760 -3.902 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.257 -4.761 3.923 1.00 0.00 H new ATOM 407 N LEU A 24 -3.244 -1.198 7.608 1.00 0.00 N ATOM 408 CA LEU A 24 -2.820 -0.498 8.815 1.00 0.00 C ATOM 409 C LEU A 24 -3.999 -0.173 9.729 1.00 0.00 C ATOM 410 O LEU A 24 -3.883 -0.270 10.950 1.00 0.00 O ATOM 411 CB LEU A 24 -2.071 0.786 8.447 1.00 0.00 C ATOM 412 CG LEU A 24 -0.572 0.610 8.185 1.00 0.00 C ATOM 413 CD1 LEU A 24 -0.333 -0.351 7.028 1.00 0.00 C ATOM 414 CD2 LEU A 24 0.079 1.955 7.905 1.00 0.00 C ATOM 0 H LEU A 24 -3.129 -0.661 6.748 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.152 -1.163 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.532 1.215 7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.201 1.508 9.253 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.117 0.184 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.739 -0.460 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.764 -1.323 7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.803 0.041 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.144 1.813 7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.384 2.408 7.028 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.056 2.611 8.765 1.00 0.00 H new ATOM 426 N GLU A 25 -5.131 0.208 9.143 1.00 0.00 N ATOM 427 CA GLU A 25 -6.314 0.546 9.931 1.00 0.00 C ATOM 428 C GLU A 25 -6.928 -0.702 10.558 1.00 0.00 C ATOM 429 O GLU A 25 -7.523 -0.636 11.635 1.00 0.00 O ATOM 430 CB GLU A 25 -7.356 1.271 9.073 1.00 0.00 C ATOM 431 CG GLU A 25 -8.064 0.374 8.071 1.00 0.00 C ATOM 432 CD GLU A 25 -9.165 1.096 7.320 1.00 0.00 C ATOM 433 OE1 GLU A 25 -10.308 1.123 7.825 1.00 0.00 O ATOM 434 OE2 GLU A 25 -8.885 1.634 6.228 1.00 0.00 O ATOM 0 H GLU A 25 -5.255 0.290 8.134 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.997 1.215 10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.100 1.724 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.867 2.084 8.536 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.336 -0.013 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.487 -0.484 8.593 1.00 0.00 H new ATOM 441 N LYS A 26 -6.783 -1.837 9.881 1.00 0.00 N ATOM 442 CA LYS A 26 -7.324 -3.097 10.381 1.00 0.00 C ATOM 443 C LYS A 26 -6.721 -3.447 11.738 1.00 0.00 C ATOM 444 O LYS A 26 -7.440 -3.809 12.669 1.00 0.00 O ATOM 445 CB LYS A 26 -7.059 -4.229 9.385 1.00 0.00 C ATOM 446 CG LYS A 26 -8.025 -4.248 8.208 1.00 0.00 C ATOM 447 CD LYS A 26 -9.415 -4.715 8.620 1.00 0.00 C ATOM 448 CE LYS A 26 -9.419 -6.183 9.023 1.00 0.00 C ATOM 449 NZ LYS A 26 -10.800 -6.693 9.254 1.00 0.00 N ATOM 0 H LYS A 26 -6.297 -1.911 8.987 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.401 -2.976 10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.041 -4.137 9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.119 -5.183 9.909 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.091 -3.249 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.637 -4.906 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.771 -4.108 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.110 -4.562 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.939 -6.775 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.828 -6.312 9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.759 -7.696 9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.249 -6.146 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.357 -6.594 8.381 1.00 0.00 H new ATOM 463 N GLU A 27 -5.400 -3.335 11.844 1.00 0.00 N ATOM 464 CA GLU A 27 -4.708 -3.641 13.093 1.00 0.00 C ATOM 465 C GLU A 27 -4.729 -2.444 14.040 1.00 0.00 C ATOM 466 O GLU A 27 -4.708 -2.606 15.258 1.00 0.00 O ATOM 467 CB GLU A 27 -3.263 -4.058 12.815 1.00 0.00 C ATOM 468 CG GLU A 27 -3.138 -5.204 11.825 1.00 0.00 C ATOM 469 CD GLU A 27 -1.701 -5.642 11.618 1.00 0.00 C ATOM 470 OE1 GLU A 27 -1.018 -5.051 10.754 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.258 -6.574 12.322 1.00 0.00 O ATOM 0 H GLU A 27 -4.789 -3.036 11.084 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.233 -4.468 13.571 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.713 -3.198 12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.791 -4.347 13.754 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.725 -6.051 12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.563 -4.901 10.868 1.00 0.00 H new ATOM 478 N PHE A 28 -4.779 -1.244 13.465 1.00 0.00 N ATOM 479 CA PHE A 28 -4.802 -0.004 14.242 1.00 0.00 C ATOM 480 C PHE A 28 -5.842 -0.060 15.360 1.00 0.00 C ATOM 481 O PHE A 28 -5.750 0.678 16.341 1.00 0.00 O ATOM 482 CB PHE A 28 -5.081 1.192 13.326 1.00 0.00 C ATOM 483 CG PHE A 28 -5.076 2.516 14.039 1.00 0.00 C ATOM 484 CD1 PHE A 28 -3.887 3.188 14.273 1.00 0.00 C ATOM 485 CD2 PHE A 28 -6.262 3.090 14.472 1.00 0.00 C ATOM 486 CE1 PHE A 28 -3.881 4.406 14.926 1.00 0.00 C ATOM 487 CE2 PHE A 28 -6.262 4.307 15.126 1.00 0.00 C ATOM 488 CZ PHE A 28 -5.069 4.966 15.353 1.00 0.00 C ATOM 0 H PHE A 28 -4.805 -1.103 12.455 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.821 0.116 14.702 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.333 1.214 12.534 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.049 1.052 12.846 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.955 2.755 13.941 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.197 2.579 14.296 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.948 4.920 15.102 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -7.193 4.742 15.459 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.066 5.918 15.864 1.00 0.00 H new ATOM 498 N LEU A 29 -6.829 -0.935 15.207 1.00 0.00 N ATOM 499 CA LEU A 29 -7.896 -1.063 16.191 1.00 0.00 C ATOM 500 C LEU A 29 -7.352 -1.554 17.521 1.00 0.00 C ATOM 501 O LEU A 29 -7.476 -0.886 18.548 1.00 0.00 O ATOM 502 CB LEU A 29 -8.977 -2.020 15.684 1.00 0.00 C ATOM 503 CG LEU A 29 -9.423 -1.796 14.236 1.00 0.00 C ATOM 504 CD1 LEU A 29 -10.551 -2.749 13.873 1.00 0.00 C ATOM 505 CD2 LEU A 29 -9.854 -0.352 14.020 1.00 0.00 C ATOM 0 H LEU A 29 -6.912 -1.566 14.410 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.336 -0.077 16.341 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.609 -3.041 15.779 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.849 -1.934 16.333 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.574 -1.999 13.583 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.856 -2.576 12.841 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.208 -3.778 13.982 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.400 -2.577 14.535 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.166 -0.217 12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.686 -0.117 14.684 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.018 0.313 14.237 1.00 0.00 H new ATOM 517 N PHE A 30 -6.752 -2.727 17.486 1.00 0.00 N ATOM 518 CA PHE A 30 -6.183 -3.337 18.679 1.00 0.00 C ATOM 519 C PHE A 30 -4.664 -3.238 18.668 1.00 0.00 C ATOM 520 O PHE A 30 -4.063 -2.649 19.568 1.00 0.00 O ATOM 521 CB PHE A 30 -6.613 -4.804 18.774 1.00 0.00 C ATOM 522 CG PHE A 30 -6.430 -5.400 20.141 1.00 0.00 C ATOM 523 CD1 PHE A 30 -7.211 -4.974 21.204 1.00 0.00 C ATOM 524 CD2 PHE A 30 -5.483 -6.388 20.362 1.00 0.00 C ATOM 525 CE1 PHE A 30 -7.050 -5.521 22.462 1.00 0.00 C ATOM 526 CE2 PHE A 30 -5.318 -6.938 21.619 1.00 0.00 C ATOM 527 CZ PHE A 30 -6.103 -6.504 22.671 1.00 0.00 C ATOM 0 H PHE A 30 -6.644 -3.284 16.638 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.555 -2.797 19.550 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.662 -4.885 18.490 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.041 -5.388 18.053 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.954 -4.206 21.047 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.868 -6.731 19.543 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.665 -5.180 23.282 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.576 -7.706 21.779 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.976 -6.933 23.654 1.00 0.00 H new ATOM 537 N ASN A 31 -4.066 -3.796 17.621 1.00 0.00 N ATOM 538 CA ASN A 31 -2.607 -3.825 17.446 1.00 0.00 C ATOM 539 C ASN A 31 -1.855 -3.994 18.768 1.00 0.00 C ATOM 540 O ASN A 31 -0.696 -3.592 18.882 1.00 0.00 O ATOM 541 CB ASN A 31 -2.125 -2.554 16.755 1.00 0.00 C ATOM 542 CG ASN A 31 -2.479 -1.303 17.531 1.00 0.00 C ATOM 543 OD1 ASN A 31 -1.687 -0.810 18.335 1.00 0.00 O ATOM 544 ND2 ASN A 31 -3.679 -0.786 17.299 1.00 0.00 N ATOM 0 H ASN A 31 -4.578 -4.245 16.862 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.390 -4.695 16.826 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.044 -2.603 16.624 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.564 -2.497 15.759 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.977 0.053 17.796 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.303 -1.228 16.624 1.00 0.00 H new ATOM 551 N MET A 32 -2.503 -4.596 19.755 1.00 0.00 N ATOM 552 CA MET A 32 -1.886 -4.802 21.053 1.00 0.00 C ATOM 553 C MET A 32 -1.490 -6.257 21.243 1.00 0.00 C ATOM 554 O MET A 32 -0.891 -6.625 22.255 1.00 0.00 O ATOM 555 CB MET A 32 -2.851 -4.378 22.151 1.00 0.00 C ATOM 556 CG MET A 32 -2.812 -2.889 22.444 1.00 0.00 C ATOM 557 SD MET A 32 -3.419 -2.482 24.094 1.00 0.00 S ATOM 558 CE MET A 32 -5.140 -2.959 23.956 1.00 0.00 C ATOM 0 H MET A 32 -3.457 -4.950 19.679 1.00 0.00 H new ATOM 0 HA MET A 32 -0.983 -4.195 21.107 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.864 -4.658 21.862 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.616 -4.927 23.063 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.788 -2.530 22.340 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.411 -2.362 21.702 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.736 -2.380 24.662 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.491 -2.767 22.942 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.242 -4.021 24.180 1.00 0.00 H new ATOM 568 N TYR A 33 -1.824 -7.074 20.258 1.00 0.00 N ATOM 569 CA TYR A 33 -1.517 -8.501 20.306 1.00 0.00 C ATOM 570 C TYR A 33 -1.866 -9.182 18.986 1.00 0.00 C ATOM 571 O TYR A 33 -3.026 -9.198 18.571 1.00 0.00 O ATOM 572 CB TYR A 33 -2.278 -9.171 21.453 1.00 0.00 C ATOM 573 CG TYR A 33 -2.021 -10.657 21.570 1.00 0.00 C ATOM 574 CD1 TYR A 33 -0.893 -11.137 22.224 1.00 0.00 C ATOM 575 CD2 TYR A 33 -2.906 -11.579 21.025 1.00 0.00 C ATOM 576 CE1 TYR A 33 -0.655 -12.495 22.331 1.00 0.00 C ATOM 577 CE2 TYR A 33 -2.675 -12.938 21.128 1.00 0.00 C ATOM 578 CZ TYR A 33 -1.548 -13.390 21.781 1.00 0.00 C ATOM 579 OH TYR A 33 -1.314 -14.741 21.884 1.00 0.00 O ATOM 0 H TYR A 33 -2.309 -6.776 19.412 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.446 -8.608 20.476 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.001 -8.689 22.391 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.346 -9.006 21.313 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.191 -10.439 22.655 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.789 -11.228 20.512 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.226 -12.853 22.843 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.373 -13.642 20.699 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.039 -15.233 21.445 1.00 0.00 H new ATOM 589 N LEU A 34 -0.857 -9.748 18.332 1.00 0.00 N ATOM 590 CA LEU A 34 -1.058 -10.433 17.062 1.00 0.00 C ATOM 591 C LEU A 34 -0.153 -11.653 16.941 1.00 0.00 C ATOM 592 O LEU A 34 0.611 -11.966 17.855 1.00 0.00 O ATOM 593 CB LEU A 34 -0.824 -9.481 15.890 1.00 0.00 C ATOM 594 CG LEU A 34 0.464 -8.662 15.948 1.00 0.00 C ATOM 595 CD1 LEU A 34 1.672 -9.518 15.604 1.00 0.00 C ATOM 596 CD2 LEU A 34 0.360 -7.487 14.999 1.00 0.00 C ATOM 0 H LEU A 34 0.108 -9.745 18.661 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.093 -10.775 17.032 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.821 -10.063 14.968 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.668 -8.793 15.831 1.00 0.00 H new ATOM 0 HG LEU A 34 0.598 -8.293 16.965 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.575 -8.909 15.653 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.750 -10.340 16.315 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.559 -9.919 14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.279 -6.903 15.041 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.208 -7.852 13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.482 -6.859 15.289 1.00 0.00 H new ATOM 608 N THR A 35 -0.246 -12.337 15.805 1.00 0.00 N ATOM 609 CA THR A 35 0.561 -13.527 15.556 1.00 0.00 C ATOM 610 C THR A 35 1.529 -13.303 14.398 1.00 0.00 C ATOM 611 O THR A 35 1.365 -12.369 13.614 1.00 0.00 O ATOM 612 CB THR A 35 -0.320 -14.754 15.246 1.00 0.00 C ATOM 613 OG1 THR A 35 0.502 -15.869 14.877 1.00 0.00 O ATOM 614 CG2 THR A 35 -1.304 -14.449 14.124 1.00 0.00 C ATOM 0 H THR A 35 -0.873 -12.087 15.041 1.00 0.00 H new ATOM 0 HA THR A 35 1.127 -13.719 16.468 1.00 0.00 H new ATOM 0 HB THR A 35 -0.885 -15.001 16.145 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.066 -16.644 14.683 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.913 -15.331 13.925 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.949 -13.622 14.420 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.755 -14.176 13.223 1.00 0.00 H new ATOM 622 N ARG A 36 2.538 -14.164 14.299 1.00 0.00 N ATOM 623 CA ARG A 36 3.528 -14.060 13.234 1.00 0.00 C ATOM 624 C ARG A 36 2.863 -14.170 11.868 1.00 0.00 C ATOM 625 O ARG A 36 3.281 -13.523 10.908 1.00 0.00 O ATOM 626 CB ARG A 36 4.590 -15.145 13.382 1.00 0.00 C ATOM 627 CG ARG A 36 5.890 -14.801 12.678 1.00 0.00 C ATOM 628 CD ARG A 36 6.935 -15.877 12.889 1.00 0.00 C ATOM 629 NE ARG A 36 7.274 -16.044 14.299 1.00 0.00 N ATOM 630 CZ ARG A 36 8.307 -16.762 14.729 1.00 0.00 C ATOM 631 NH1 ARG A 36 9.104 -17.370 13.861 1.00 0.00 N ATOM 632 NH2 ARG A 36 8.544 -16.870 16.030 1.00 0.00 N ATOM 0 H ARG A 36 2.691 -14.940 14.943 1.00 0.00 H new ATOM 0 HA ARG A 36 4.007 -13.084 13.313 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.789 -15.309 14.441 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.203 -16.082 12.981 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.705 -14.675 11.611 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.266 -13.848 13.051 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.567 -16.822 12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.834 -15.623 12.328 1.00 0.00 H new ATOM 0 HE ARG A 36 6.685 -15.584 14.993 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.925 -17.288 12.860 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.896 -17.920 14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.934 -16.402 16.700 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.336 -17.421 16.360 1.00 0.00 H new ATOM 646 N ASP A 37 1.824 -14.995 11.791 1.00 0.00 N ATOM 647 CA ASP A 37 1.093 -15.190 10.545 1.00 0.00 C ATOM 648 C ASP A 37 0.482 -13.876 10.068 1.00 0.00 C ATOM 649 O ASP A 37 0.351 -13.641 8.867 1.00 0.00 O ATOM 650 CB ASP A 37 -0.001 -16.243 10.726 1.00 0.00 C ATOM 651 CG ASP A 37 0.560 -17.597 11.114 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.023 -18.328 10.212 1.00 0.00 O ATOM 653 OD2 ASP A 37 0.538 -17.927 12.318 1.00 0.00 O ATOM 0 H ASP A 37 1.469 -15.539 12.577 1.00 0.00 H new ATOM 0 HA ASP A 37 1.796 -15.541 9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.700 -15.909 11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.566 -16.339 9.799 1.00 0.00 H new ATOM 658 N ARG A 38 0.111 -13.022 11.017 1.00 0.00 N ATOM 659 CA ARG A 38 -0.480 -11.729 10.692 1.00 0.00 C ATOM 660 C ARG A 38 0.542 -10.815 10.030 1.00 0.00 C ATOM 661 O ARG A 38 0.325 -10.327 8.923 1.00 0.00 O ATOM 662 CB ARG A 38 -1.036 -11.059 11.951 1.00 0.00 C ATOM 663 CG ARG A 38 -2.515 -11.324 12.184 1.00 0.00 C ATOM 664 CD ARG A 38 -3.381 -10.591 11.170 1.00 0.00 C ATOM 665 NE ARG A 38 -4.805 -10.833 11.392 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.761 -9.970 11.059 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.448 -8.815 10.489 1.00 0.00 N ATOM 668 NH2 ARG A 38 -7.032 -10.265 11.295 1.00 0.00 N ATOM 0 H ARG A 38 0.209 -13.202 12.016 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.298 -11.903 9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.473 -11.409 12.816 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.876 -9.983 11.880 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.708 -12.395 12.122 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.788 -11.009 13.191 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.181 -9.521 11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.111 -10.911 10.164 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.081 -11.713 11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.471 -8.586 10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.184 -8.156 10.235 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.277 -11.154 11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.765 -9.603 11.040 1.00 0.00 H new ATOM 682 N ARG A 39 1.660 -10.592 10.713 1.00 0.00 N ATOM 683 CA ARG A 39 2.718 -9.733 10.191 1.00 0.00 C ATOM 684 C ARG A 39 3.140 -10.160 8.789 1.00 0.00 C ATOM 685 O ARG A 39 3.564 -9.335 7.984 1.00 0.00 O ATOM 686 CB ARG A 39 3.931 -9.756 11.122 1.00 0.00 C ATOM 687 CG ARG A 39 3.647 -9.212 12.512 1.00 0.00 C ATOM 688 CD ARG A 39 4.893 -9.239 13.381 1.00 0.00 C ATOM 689 NE ARG A 39 4.639 -8.714 14.720 1.00 0.00 N ATOM 690 CZ ARG A 39 5.345 -9.055 15.795 1.00 0.00 C ATOM 691 NH1 ARG A 39 6.349 -9.916 15.689 1.00 0.00 N ATOM 692 NH2 ARG A 39 5.048 -8.534 16.976 1.00 0.00 N ATOM 0 H ARG A 39 1.857 -10.994 11.629 1.00 0.00 H new ATOM 0 HA ARG A 39 2.322 -8.719 10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.291 -10.781 11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.735 -9.174 10.671 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.276 -8.190 12.436 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.860 -9.802 12.982 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.260 -10.263 13.457 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.679 -8.653 12.905 1.00 0.00 H new ATOM 0 HE ARG A 39 3.876 -8.047 14.838 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.582 -10.319 14.781 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.888 -10.175 16.515 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.278 -7.871 17.062 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.590 -8.796 17.800 1.00 0.00 H new ATOM 706 N TYR A 40 3.017 -11.453 8.500 1.00 0.00 N ATOM 707 CA TYR A 40 3.402 -11.983 7.195 1.00 0.00 C ATOM 708 C TYR A 40 2.360 -11.660 6.127 1.00 0.00 C ATOM 709 O TYR A 40 2.670 -11.014 5.127 1.00 0.00 O ATOM 710 CB TYR A 40 3.610 -13.496 7.276 1.00 0.00 C ATOM 711 CG TYR A 40 4.048 -14.119 5.968 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.302 -13.846 5.432 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.211 -14.981 5.272 1.00 0.00 C ATOM 714 CE1 TYR A 40 5.707 -14.416 4.239 1.00 0.00 C ATOM 715 CE2 TYR A 40 3.608 -15.555 4.079 1.00 0.00 C ATOM 716 CZ TYR A 40 4.856 -15.269 3.566 1.00 0.00 C ATOM 717 OH TYR A 40 5.256 -15.840 2.379 1.00 0.00 O ATOM 0 H TYR A 40 2.655 -12.151 9.150 1.00 0.00 H new ATOM 0 HA TYR A 40 4.338 -11.504 6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.358 -13.711 8.039 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.681 -13.965 7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.970 -13.178 5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.233 -15.207 5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.684 -14.195 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.944 -16.224 3.551 1.00 0.00 H new ATOM 0 HH TYR A 40 4.541 -16.415 2.035 1.00 0.00 H new ATOM 727 N GLU A 41 1.128 -12.116 6.341 1.00 0.00 N ATOM 728 CA GLU A 41 0.048 -11.884 5.385 1.00 0.00 C ATOM 729 C GLU A 41 -0.118 -10.397 5.079 1.00 0.00 C ATOM 730 O GLU A 41 -0.310 -10.012 3.925 1.00 0.00 O ATOM 731 CB GLU A 41 -1.270 -12.458 5.914 1.00 0.00 C ATOM 732 CG GLU A 41 -1.748 -11.809 7.204 1.00 0.00 C ATOM 733 CD GLU A 41 -3.071 -12.370 7.684 1.00 0.00 C ATOM 734 OE1 GLU A 41 -4.125 -11.855 7.256 1.00 0.00 O ATOM 735 OE2 GLU A 41 -3.054 -13.327 8.487 1.00 0.00 O ATOM 0 H GLU A 41 0.853 -12.648 7.167 1.00 0.00 H new ATOM 0 HA GLU A 41 0.314 -12.394 4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.040 -12.339 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.149 -13.528 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.995 -11.952 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.848 -10.734 7.050 1.00 0.00 H new ATOM 742 N VAL A 42 -0.040 -9.567 6.112 1.00 0.00 N ATOM 743 CA VAL A 42 -0.190 -8.126 5.946 1.00 0.00 C ATOM 744 C VAL A 42 1.022 -7.525 5.239 1.00 0.00 C ATOM 745 O VAL A 42 0.916 -6.495 4.577 1.00 0.00 O ATOM 746 CB VAL A 42 -0.391 -7.419 7.303 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.516 -8.077 8.087 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.901 -7.413 8.108 1.00 0.00 C ATOM 0 H VAL A 42 0.126 -9.866 7.073 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.077 -7.968 5.333 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.670 -6.383 7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.643 -7.565 9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.442 -8.015 7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.270 -9.124 8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.734 -6.909 9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.220 -8.439 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.675 -6.886 7.550 1.00 0.00 H new ATOM 758 N ALA A 43 2.172 -8.178 5.378 1.00 0.00 N ATOM 759 CA ALA A 43 3.402 -7.704 4.754 1.00 0.00 C ATOM 760 C ALA A 43 3.476 -8.137 3.298 1.00 0.00 C ATOM 761 O ALA A 43 4.137 -7.498 2.479 1.00 0.00 O ATOM 762 CB ALA A 43 4.612 -8.215 5.516 1.00 0.00 C ATOM 0 H ALA A 43 2.277 -9.037 5.918 1.00 0.00 H new ATOM 0 HA ALA A 43 3.400 -6.614 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.522 -7.853 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.574 -7.854 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.610 -9.305 5.514 1.00 0.00 H new ATOM 768 N ARG A 44 2.793 -9.230 2.983 1.00 0.00 N ATOM 769 CA ARG A 44 2.776 -9.759 1.630 1.00 0.00 C ATOM 770 C ARG A 44 1.910 -8.896 0.721 1.00 0.00 C ATOM 771 O ARG A 44 2.180 -8.766 -0.472 1.00 0.00 O ATOM 772 CB ARG A 44 2.262 -11.199 1.644 1.00 0.00 C ATOM 773 CG ARG A 44 3.255 -12.197 2.219 1.00 0.00 C ATOM 774 CD ARG A 44 4.494 -12.320 1.347 1.00 0.00 C ATOM 775 NE ARG A 44 4.172 -12.793 0.003 1.00 0.00 N ATOM 776 CZ ARG A 44 5.085 -13.049 -0.929 1.00 0.00 C ATOM 777 NH1 ARG A 44 6.374 -12.881 -0.665 1.00 0.00 N ATOM 778 NH2 ARG A 44 4.708 -13.473 -2.128 1.00 0.00 N ATOM 0 H ARG A 44 2.242 -9.768 3.652 1.00 0.00 H new ATOM 0 HA ARG A 44 3.793 -9.746 1.238 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.341 -11.241 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.011 -11.496 0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.545 -11.885 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.778 -13.172 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.989 -11.351 1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.199 -13.007 1.814 1.00 0.00 H new ATOM 0 HE ARG A 44 3.190 -12.935 -0.234 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.668 -12.554 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.072 -13.078 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.718 -13.603 -2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.408 -13.669 -2.843 1.00 0.00 H new ATOM 792 N VAL A 45 0.865 -8.310 1.296 1.00 0.00 N ATOM 793 CA VAL A 45 -0.045 -7.460 0.542 1.00 0.00 C ATOM 794 C VAL A 45 0.435 -6.011 0.529 1.00 0.00 C ATOM 795 O VAL A 45 0.129 -5.254 -0.391 1.00 0.00 O ATOM 796 CB VAL A 45 -1.474 -7.527 1.116 1.00 0.00 C ATOM 797 CG1 VAL A 45 -1.903 -8.974 1.288 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.568 -6.781 2.440 1.00 0.00 C ATOM 0 H VAL A 45 0.628 -8.409 2.283 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.060 -7.834 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.148 -7.042 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.914 -9.008 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.883 -9.477 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.220 -9.477 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.587 -6.845 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.882 -7.229 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.302 -5.735 2.288 1.00 0.00 H new ATOM 808 N LEU A 46 1.188 -5.636 1.558 1.00 0.00 N ATOM 809 CA LEU A 46 1.713 -4.278 1.671 1.00 0.00 C ATOM 810 C LEU A 46 3.109 -4.178 1.060 1.00 0.00 C ATOM 811 O LEU A 46 3.706 -3.101 1.026 1.00 0.00 O ATOM 812 CB LEU A 46 1.749 -3.845 3.139 1.00 0.00 C ATOM 813 CG LEU A 46 0.383 -3.704 3.812 1.00 0.00 C ATOM 814 CD1 LEU A 46 0.556 -3.303 5.269 1.00 0.00 C ATOM 815 CD2 LEU A 46 -0.474 -2.688 3.074 1.00 0.00 C ATOM 0 H LEU A 46 1.449 -6.253 2.327 1.00 0.00 H new ATOM 0 HA LEU A 46 1.050 -3.611 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.339 -4.570 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.269 -2.890 3.206 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.126 -4.667 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.423 -3.205 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.134 -4.066 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.081 -2.350 5.324 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.442 -2.601 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.024 -1.719 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.620 -3.014 2.044 1.00 0.00 H new ATOM 827 N ASN A 47 3.620 -5.310 0.582 1.00 0.00 N ATOM 828 CA ASN A 47 4.942 -5.364 -0.036 1.00 0.00 C ATOM 829 C ASN A 47 6.026 -4.915 0.941 1.00 0.00 C ATOM 830 O ASN A 47 7.036 -4.334 0.542 1.00 0.00 O ATOM 831 CB ASN A 47 4.977 -4.494 -1.297 1.00 0.00 C ATOM 832 CG ASN A 47 3.907 -4.887 -2.299 1.00 0.00 C ATOM 833 OD1 ASN A 47 2.793 -4.363 -2.271 1.00 0.00 O ATOM 834 ND2 ASN A 47 4.240 -5.814 -3.188 1.00 0.00 N ATOM 0 H ASN A 47 3.135 -6.207 0.611 1.00 0.00 H new ATOM 0 HA ASN A 47 5.141 -6.399 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.844 -3.449 -1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.958 -4.577 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.561 -6.119 -3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.175 -6.221 -3.174 1.00 0.00 H new ATOM 841 N LEU A 48 5.812 -5.200 2.221 1.00 0.00 N ATOM 842 CA LEU A 48 6.767 -4.828 3.261 1.00 0.00 C ATOM 843 C LEU A 48 7.316 -6.066 3.963 1.00 0.00 C ATOM 844 O LEU A 48 6.950 -7.193 3.631 1.00 0.00 O ATOM 845 CB LEU A 48 6.107 -3.899 4.283 1.00 0.00 C ATOM 846 CG LEU A 48 5.286 -2.752 3.688 1.00 0.00 C ATOM 847 CD1 LEU A 48 4.736 -1.862 4.790 1.00 0.00 C ATOM 848 CD2 LEU A 48 6.126 -1.940 2.713 1.00 0.00 C ATOM 0 H LEU A 48 4.985 -5.688 2.564 1.00 0.00 H new ATOM 0 HA LEU A 48 7.596 -4.303 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.458 -4.494 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.884 -3.476 4.920 1.00 0.00 H new ATOM 0 HG LEU A 48 4.446 -3.180 3.141 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.155 -1.052 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.096 -2.450 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.562 -1.444 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.524 -1.130 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.988 -1.523 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.469 -2.585 1.904 1.00 0.00 H new ATOM 860 N THR A 49 8.206 -5.848 4.928 1.00 0.00 N ATOM 861 CA THR A 49 8.802 -6.944 5.684 1.00 0.00 C ATOM 862 C THR A 49 8.143 -7.075 7.055 1.00 0.00 C ATOM 863 O THR A 49 7.730 -6.079 7.647 1.00 0.00 O ATOM 864 CB THR A 49 10.318 -6.738 5.869 1.00 0.00 C ATOM 865 OG1 THR A 49 10.936 -6.485 4.601 1.00 0.00 O ATOM 866 CG2 THR A 49 10.959 -7.960 6.513 1.00 0.00 C ATOM 0 H THR A 49 8.530 -4.921 5.204 1.00 0.00 H new ATOM 0 HA THR A 49 8.638 -7.858 5.113 1.00 0.00 H new ATOM 0 HB THR A 49 10.466 -5.881 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.899 -6.353 4.727 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.029 -7.789 6.633 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.508 -8.135 7.490 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.799 -8.832 5.878 1.00 0.00 H new ATOM 874 N GLU A 50 8.051 -8.307 7.553 1.00 0.00 N ATOM 875 CA GLU A 50 7.437 -8.565 8.854 1.00 0.00 C ATOM 876 C GLU A 50 8.020 -7.649 9.925 1.00 0.00 C ATOM 877 O GLU A 50 7.297 -7.137 10.781 1.00 0.00 O ATOM 878 CB GLU A 50 7.640 -10.027 9.260 1.00 0.00 C ATOM 879 CG GLU A 50 7.139 -11.024 8.229 1.00 0.00 C ATOM 880 CD GLU A 50 7.284 -12.461 8.691 1.00 0.00 C ATOM 881 OE1 GLU A 50 8.381 -13.033 8.518 1.00 0.00 O ATOM 882 OE2 GLU A 50 6.300 -13.014 9.226 1.00 0.00 O ATOM 0 H GLU A 50 8.393 -9.141 7.076 1.00 0.00 H new ATOM 0 HA GLU A 50 6.370 -8.362 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.702 -10.202 9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.127 -10.207 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.091 -10.820 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.690 -10.888 7.299 1.00 0.00 H new ATOM 889 N ARG A 51 9.331 -7.447 9.868 1.00 0.00 N ATOM 890 CA ARG A 51 10.020 -6.593 10.829 1.00 0.00 C ATOM 891 C ARG A 51 9.573 -5.144 10.692 1.00 0.00 C ATOM 892 O ARG A 51 9.165 -4.513 11.667 1.00 0.00 O ATOM 893 CB ARG A 51 11.531 -6.685 10.624 1.00 0.00 C ATOM 894 CG ARG A 51 12.078 -8.097 10.757 1.00 0.00 C ATOM 895 CD ARG A 51 13.590 -8.123 10.620 1.00 0.00 C ATOM 896 NE ARG A 51 14.126 -9.478 10.719 1.00 0.00 N ATOM 897 CZ ARG A 51 15.395 -9.751 11.015 1.00 0.00 C ATOM 898 NH1 ARG A 51 16.250 -8.766 11.256 1.00 0.00 N ATOM 899 NH2 ARG A 51 15.807 -11.009 11.073 1.00 0.00 N ATOM 0 H ARG A 51 9.940 -7.864 9.164 1.00 0.00 H new ATOM 0 HA ARG A 51 9.767 -6.940 11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.779 -6.300 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.028 -6.042 11.351 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.792 -8.509 11.725 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.631 -8.735 9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.874 -7.690 9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.035 -7.500 11.396 1.00 0.00 H new ATOM 0 HE ARG A 51 13.492 -10.259 10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.936 -7.796 11.215 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.222 -8.978 11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.152 -11.769 10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.779 -11.217 11.300 1.00 0.00 H new ATOM 913 N GLN A 52 9.654 -4.624 9.473 1.00 0.00 N ATOM 914 CA GLN A 52 9.273 -3.245 9.195 1.00 0.00 C ATOM 915 C GLN A 52 7.838 -2.960 9.635 1.00 0.00 C ATOM 916 O GLN A 52 7.488 -1.817 9.930 1.00 0.00 O ATOM 917 CB GLN A 52 9.433 -2.952 7.703 1.00 0.00 C ATOM 918 CG GLN A 52 9.262 -1.485 7.349 1.00 0.00 C ATOM 919 CD GLN A 52 10.274 -0.590 8.041 1.00 0.00 C ATOM 920 OE1 GLN A 52 9.990 0.569 8.343 1.00 0.00 O ATOM 921 NE2 GLN A 52 11.465 -1.123 8.295 1.00 0.00 N ATOM 0 H GLN A 52 9.982 -5.140 8.657 1.00 0.00 H new ATOM 0 HA GLN A 52 9.932 -2.592 9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.420 -3.282 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.703 -3.539 7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.355 -1.363 6.270 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.256 -1.166 7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.659 -2.088 8.028 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.185 -0.567 8.757 1.00 0.00 H new ATOM 930 N VAL A 53 7.010 -4.000 9.678 1.00 0.00 N ATOM 931 CA VAL A 53 5.616 -3.845 10.083 1.00 0.00 C ATOM 932 C VAL A 53 5.493 -3.601 11.586 1.00 0.00 C ATOM 933 O VAL A 53 4.999 -2.559 12.015 1.00 0.00 O ATOM 934 CB VAL A 53 4.777 -5.085 9.702 1.00 0.00 C ATOM 935 CG1 VAL A 53 3.368 -4.982 10.272 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.728 -5.254 8.191 1.00 0.00 C ATOM 0 H VAL A 53 7.278 -4.955 9.439 1.00 0.00 H new ATOM 0 HA VAL A 53 5.232 -2.976 9.549 1.00 0.00 H new ATOM 0 HB VAL A 53 5.256 -5.964 10.133 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.796 -5.866 9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.419 -4.914 11.359 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.879 -4.092 9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.133 -6.133 7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.276 -4.370 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.740 -5.381 7.806 1.00 0.00 H new ATOM 946 N LYS A 54 5.947 -4.567 12.379 1.00 0.00 N ATOM 947 CA LYS A 54 5.879 -4.463 13.834 1.00 0.00 C ATOM 948 C LYS A 54 6.636 -3.240 14.351 1.00 0.00 C ATOM 949 O LYS A 54 6.135 -2.506 15.203 1.00 0.00 O ATOM 950 CB LYS A 54 6.434 -5.735 14.480 1.00 0.00 C ATOM 951 CG LYS A 54 7.807 -6.134 13.962 1.00 0.00 C ATOM 952 CD LYS A 54 8.288 -7.432 14.593 1.00 0.00 C ATOM 953 CE LYS A 54 8.627 -7.248 16.063 1.00 0.00 C ATOM 954 NZ LYS A 54 9.008 -8.535 16.710 1.00 0.00 N ATOM 0 H LYS A 54 6.367 -5.432 12.038 1.00 0.00 H new ATOM 0 HA LYS A 54 4.831 -4.345 14.108 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.491 -5.589 15.559 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.737 -6.555 14.305 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.769 -6.248 12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.522 -5.339 14.174 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.517 -8.195 14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.167 -7.793 14.059 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.447 -6.536 16.160 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.770 -6.820 16.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.465 -8.656 17.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.801 -9.323 16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.024 -8.525 16.930 1.00 0.00 H new ATOM 968 N ILE A 55 7.840 -3.026 13.832 1.00 0.00 N ATOM 969 CA ILE A 55 8.667 -1.896 14.251 1.00 0.00 C ATOM 970 C ILE A 55 7.985 -0.562 13.955 1.00 0.00 C ATOM 971 O ILE A 55 8.151 0.406 14.700 1.00 0.00 O ATOM 972 CB ILE A 55 10.044 -1.927 13.558 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.785 -3.218 13.916 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.870 -0.707 13.951 1.00 0.00 C ATOM 975 CD1 ILE A 55 12.065 -3.425 13.135 1.00 0.00 C ATOM 0 H ILE A 55 8.267 -3.619 13.120 1.00 0.00 H new ATOM 0 HA ILE A 55 8.805 -1.989 15.328 1.00 0.00 H new ATOM 0 HB ILE A 55 9.892 -1.901 12.479 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.018 -3.209 14.981 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.123 -4.066 13.742 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.838 -0.747 13.452 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.345 0.200 13.652 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.018 -0.701 15.031 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.533 -4.360 13.444 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.838 -3.467 12.070 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.747 -2.597 13.328 1.00 0.00 H new ATOM 987 N TRP A 56 7.219 -0.514 12.870 1.00 0.00 N ATOM 988 CA TRP A 56 6.524 0.708 12.481 1.00 0.00 C ATOM 989 C TRP A 56 5.535 1.146 13.560 1.00 0.00 C ATOM 990 O TRP A 56 5.603 2.272 14.053 1.00 0.00 O ATOM 991 CB TRP A 56 5.794 0.506 11.152 1.00 0.00 C ATOM 992 CG TRP A 56 5.230 1.775 10.587 1.00 0.00 C ATOM 993 CD1 TRP A 56 5.850 2.633 9.724 1.00 0.00 C ATOM 994 CD2 TRP A 56 3.936 2.329 10.844 1.00 0.00 C ATOM 995 NE1 TRP A 56 5.020 3.688 9.432 1.00 0.00 N ATOM 996 CE2 TRP A 56 3.839 3.523 10.106 1.00 0.00 C ATOM 997 CE3 TRP A 56 2.850 1.932 11.627 1.00 0.00 C ATOM 998 CZ2 TRP A 56 2.697 4.323 10.128 1.00 0.00 C ATOM 999 CZ3 TRP A 56 1.718 2.725 11.649 1.00 0.00 C ATOM 1000 CH2 TRP A 56 1.649 3.908 10.903 1.00 0.00 C ATOM 0 H TRP A 56 7.064 -1.305 12.246 1.00 0.00 H new ATOM 0 HA TRP A 56 7.270 1.494 12.361 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.483 0.069 10.429 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.986 -0.211 11.295 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.847 2.501 9.329 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.246 4.467 8.814 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.894 1.021 12.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.642 5.236 9.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 0.873 2.427 12.252 1.00 0.00 H new ATOM 0 HH2 TRP A 56 0.750 4.505 10.940 1.00 0.00 H new ATOM 1011 N PHE A 57 4.621 0.250 13.922 1.00 0.00 N ATOM 1012 CA PHE A 57 3.616 0.551 14.937 1.00 0.00 C ATOM 1013 C PHE A 57 4.260 0.843 16.291 1.00 0.00 C ATOM 1014 O PHE A 57 3.873 1.787 16.979 1.00 0.00 O ATOM 1015 CB PHE A 57 2.629 -0.611 15.073 1.00 0.00 C ATOM 1016 CG PHE A 57 1.774 -0.825 13.855 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.643 -0.052 13.641 1.00 0.00 C ATOM 1018 CD2 PHE A 57 2.100 -1.799 12.925 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.145 -0.246 12.523 1.00 0.00 C ATOM 1020 CE2 PHE A 57 1.315 -1.999 11.805 1.00 0.00 C ATOM 1021 CZ PHE A 57 0.191 -1.221 11.604 1.00 0.00 C ATOM 0 H PHE A 57 4.556 -0.689 13.528 1.00 0.00 H new ATOM 0 HA PHE A 57 3.080 1.443 14.614 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.185 -1.525 15.281 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.983 -0.428 15.932 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.375 0.711 14.357 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.978 -2.409 13.077 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.023 0.364 12.368 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.580 -2.762 11.088 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.424 -1.375 10.730 1.00 0.00 H new ATOM 1031 N GLN A 58 5.242 0.027 16.668 1.00 0.00 N ATOM 1032 CA GLN A 58 5.934 0.195 17.943 1.00 0.00 C ATOM 1033 C GLN A 58 6.480 1.612 18.102 1.00 0.00 C ATOM 1034 O GLN A 58 6.199 2.285 19.092 1.00 0.00 O ATOM 1035 CB GLN A 58 7.074 -0.817 18.066 1.00 0.00 C ATOM 1036 CG GLN A 58 6.599 -2.246 18.281 1.00 0.00 C ATOM 1037 CD GLN A 58 5.742 -2.395 19.524 1.00 0.00 C ATOM 1038 OE1 GLN A 58 6.253 -2.639 20.618 1.00 0.00 O ATOM 1039 NE2 GLN A 58 4.432 -2.254 19.361 1.00 0.00 N ATOM 0 H GLN A 58 5.576 -0.757 16.108 1.00 0.00 H new ATOM 0 HA GLN A 58 5.208 0.020 18.737 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.683 -0.777 17.163 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.717 -0.528 18.897 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.029 -2.570 17.410 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.464 -2.905 18.359 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.052 -2.052 18.436 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.806 -2.348 20.161 1.00 0.00 H new ATOM 1048 N ASN A 59 7.266 2.053 17.124 1.00 0.00 N ATOM 1049 CA ASN A 59 7.851 3.391 17.153 1.00 0.00 C ATOM 1050 C ASN A 59 6.779 4.459 17.341 1.00 0.00 C ATOM 1051 O ASN A 59 6.937 5.377 18.146 1.00 0.00 O ATOM 1052 CB ASN A 59 8.625 3.662 15.862 1.00 0.00 C ATOM 1053 CG ASN A 59 9.902 2.851 15.770 1.00 0.00 C ATOM 1054 OD1 ASN A 59 10.527 2.537 16.782 1.00 0.00 O ATOM 1055 ND2 ASN A 59 10.299 2.508 14.549 1.00 0.00 N ATOM 0 H ASN A 59 7.513 1.503 16.301 1.00 0.00 H new ATOM 0 HA ASN A 59 8.535 3.435 18.001 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.990 3.432 15.006 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.867 4.723 15.803 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.152 1.963 14.424 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.750 2.789 13.736 1.00 0.00 H new ATOM 1062 N ARG A 60 5.689 4.332 16.591 1.00 0.00 N ATOM 1063 CA ARG A 60 4.586 5.284 16.665 1.00 0.00 C ATOM 1064 C ARG A 60 4.006 5.349 18.075 1.00 0.00 C ATOM 1065 O ARG A 60 3.392 6.346 18.456 1.00 0.00 O ATOM 1066 CB ARG A 60 3.492 4.895 15.670 1.00 0.00 C ATOM 1067 CG ARG A 60 3.943 4.952 14.218 1.00 0.00 C ATOM 1068 CD ARG A 60 4.102 6.385 13.739 1.00 0.00 C ATOM 1069 NE ARG A 60 2.827 7.097 13.709 1.00 0.00 N ATOM 1070 CZ ARG A 60 2.635 8.237 13.054 1.00 0.00 C ATOM 1071 NH1 ARG A 60 3.631 8.794 12.378 1.00 0.00 N ATOM 1072 NH2 ARG A 60 1.445 8.821 13.075 1.00 0.00 N ATOM 0 H ARG A 60 5.546 3.575 15.922 1.00 0.00 H new ATOM 0 HA ARG A 60 4.973 6.271 16.411 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.149 3.885 15.896 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.638 5.559 15.803 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.890 4.424 14.109 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.217 4.436 13.590 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.796 6.911 14.395 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.542 6.387 12.742 1.00 0.00 H new ATOM 0 HE ARG A 60 2.040 6.697 14.219 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.548 8.347 12.360 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.480 9.669 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.677 8.395 13.594 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.297 9.696 12.572 1.00 0.00 H new ATOM 1086 N ARG A 61 4.199 4.282 18.842 1.00 0.00 N ATOM 1087 CA ARG A 61 3.694 4.220 20.210 1.00 0.00 C ATOM 1088 C ARG A 61 4.645 4.909 21.184 1.00 0.00 C ATOM 1089 O ARG A 61 4.214 5.679 22.043 1.00 0.00 O ATOM 1090 CB ARG A 61 3.485 2.764 20.632 1.00 0.00 C ATOM 1091 CG ARG A 61 2.422 2.038 19.824 1.00 0.00 C ATOM 1092 CD ARG A 61 1.031 2.577 20.115 1.00 0.00 C ATOM 1093 NE ARG A 61 0.637 2.356 21.504 1.00 0.00 N ATOM 1094 CZ ARG A 61 -0.622 2.395 21.929 1.00 0.00 C ATOM 1095 NH1 ARG A 61 -1.608 2.644 21.077 1.00 0.00 N ATOM 1096 NH2 ARG A 61 -0.897 2.184 23.209 1.00 0.00 N ATOM 0 H ARG A 61 4.702 3.447 18.540 1.00 0.00 H new ATOM 0 HA ARG A 61 2.739 4.745 20.237 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.430 2.229 20.536 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.209 2.737 21.686 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.638 2.143 18.761 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.455 0.973 20.053 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.003 3.644 19.896 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.310 2.097 19.453 1.00 0.00 H new ATOM 0 HE ARG A 61 1.369 2.161 22.187 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.402 2.806 20.091 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.573 2.673 21.408 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.142 1.992 23.868 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.863 2.214 23.535 1.00 0.00 H new ATOM 1110 N MET A 62 5.936 4.620 21.048 1.00 0.00 N ATOM 1111 CA MET A 62 6.954 5.202 21.918 1.00 0.00 C ATOM 1112 C MET A 62 6.834 6.721 21.987 1.00 0.00 C ATOM 1113 O MET A 62 6.855 7.302 23.072 1.00 0.00 O ATOM 1114 CB MET A 62 8.348 4.815 21.425 1.00 0.00 C ATOM 1115 CG MET A 62 8.493 3.333 21.128 1.00 0.00 C ATOM 1116 SD MET A 62 10.199 2.853 20.788 1.00 0.00 S ATOM 1117 CE MET A 62 10.985 3.267 22.344 1.00 0.00 C ATOM 0 H MET A 62 6.303 3.984 20.341 1.00 0.00 H new ATOM 0 HA MET A 62 6.797 4.807 22.922 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.577 5.383 20.523 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.084 5.101 22.177 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.121 2.759 21.976 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.870 3.076 20.271 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.879 2.658 22.473 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.261 4.321 22.343 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.293 3.074 23.164 1.00 0.00 H new ATOM 1127 N LYS A 63 6.710 7.361 20.828 1.00 0.00 N ATOM 1128 CA LYS A 63 6.591 8.813 20.771 1.00 0.00 C ATOM 1129 C LYS A 63 5.392 9.290 21.585 1.00 0.00 C ATOM 1130 O LYS A 63 5.424 10.364 22.185 1.00 0.00 O ATOM 1131 CB LYS A 63 6.466 9.290 19.322 1.00 0.00 C ATOM 1132 CG LYS A 63 5.182 8.848 18.643 1.00 0.00 C ATOM 1133 CD LYS A 63 5.017 9.504 17.282 1.00 0.00 C ATOM 1134 CE LYS A 63 3.645 9.222 16.693 1.00 0.00 C ATOM 1135 NZ LYS A 63 3.441 9.928 15.397 1.00 0.00 N ATOM 0 H LYS A 63 6.689 6.898 19.919 1.00 0.00 H new ATOM 0 HA LYS A 63 7.496 9.241 21.202 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.522 10.378 19.301 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.316 8.916 18.751 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.185 7.764 18.528 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.330 9.099 19.275 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.160 10.581 17.376 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.788 9.138 16.604 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.527 8.149 16.544 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.876 9.532 17.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.481 9.737 15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.561 10.952 15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.138 9.589 14.703 1.00 0.00 H new