USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 396 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 17 THR OG1 : rot 180:sc= -0.0951 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -166:sc= 0.111 USER MOD Single : A 20 GLN : amide:sc= -0.317 K(o=-0.32,f=-2.8!) USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 1.31 (180deg=0.949) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.236 F(o=-0.91,f=-0.24) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -133:sc= 0.218 USER MOD Single : A 32 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0.018) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.559 K(o=-0.56,f=-3.7!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -69:sc= 0.805 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.068) USER MOD Single : A 58 GLN : amide:sc= 0.589 K(o=0.59,f=-5.4!) USER MOD Single : A 59 ASN : amide:sc= 0.693 K(o=0.69,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 261 N PHE A 16 2.025 10.859 -4.497 1.00 45.43 N ATOM 262 CA PHE A 16 1.720 10.591 -3.061 1.00 64.03 C ATOM 263 C PHE A 16 2.202 11.748 -2.144 1.00 15.34 C ATOM 264 O PHE A 16 2.719 12.769 -2.622 1.00 11.11 O ATOM 265 CB PHE A 16 2.289 9.215 -2.581 1.00 53.33 C ATOM 266 CG PHE A 16 1.900 8.022 -3.461 1.00 22.52 C ATOM 267 CD1 PHE A 16 0.571 7.607 -3.571 1.00 24.22 C ATOM 268 CD2 PHE A 16 2.867 7.320 -4.186 1.00 41.42 C ATOM 269 CE1 PHE A 16 0.227 6.535 -4.379 1.00 62.04 C ATOM 270 CE2 PHE A 16 2.521 6.249 -4.991 1.00 54.13 C ATOM 271 CZ PHE A 16 1.200 5.855 -5.086 1.00 50.45 C ATOM 0 HA PHE A 16 0.634 10.535 -2.981 1.00 64.03 H new ATOM 0 HB2 PHE A 16 3.376 9.281 -2.540 1.00 53.33 H new ATOM 0 HB3 PHE A 16 1.943 9.028 -1.564 1.00 53.33 H new ATOM 0 HD1 PHE A 16 -0.198 8.128 -3.020 1.00 24.22 H new ATOM 0 HD2 PHE A 16 3.903 7.619 -4.117 1.00 41.42 H new ATOM 0 HE1 PHE A 16 -0.806 6.230 -4.456 1.00 62.04 H new ATOM 0 HE2 PHE A 16 3.283 5.721 -5.545 1.00 54.13 H new ATOM 0 HZ PHE A 16 0.929 5.017 -5.711 1.00 50.45 H new ATOM 281 N THR A 17 2.007 11.597 -0.821 1.00 31.30 N ATOM 282 CA THR A 17 2.468 12.600 0.184 1.00 45.41 C ATOM 283 C THR A 17 3.020 11.909 1.455 1.00 23.53 C ATOM 284 O THR A 17 2.910 10.689 1.590 1.00 31.11 O ATOM 285 CB THR A 17 1.323 13.607 0.568 1.00 3.42 C ATOM 286 OG1 THR A 17 1.839 14.649 1.411 1.00 14.41 O ATOM 287 CG2 THR A 17 0.156 12.913 1.283 1.00 42.11 C ATOM 0 H THR A 17 1.533 10.791 -0.412 1.00 31.30 H new ATOM 0 HA THR A 17 3.275 13.167 -0.281 1.00 45.41 H new ATOM 0 HB THR A 17 0.946 14.030 -0.363 1.00 3.42 H new ATOM 0 HG1 THR A 17 1.117 15.270 1.642 1.00 14.41 H new ATOM 0 HG21 THR A 17 -0.610 13.649 1.528 1.00 42.11 H new ATOM 0 HG22 THR A 17 -0.269 12.151 0.630 1.00 42.11 H new ATOM 0 HG23 THR A 17 0.517 12.446 2.199 1.00 42.11 H new ATOM 295 N SER A 18 3.585 12.713 2.385 1.00 10.12 N ATOM 296 CA SER A 18 4.214 12.220 3.646 1.00 3.53 C ATOM 297 C SER A 18 3.275 11.289 4.457 1.00 32.40 C ATOM 298 O SER A 18 3.685 10.213 4.888 1.00 61.52 O ATOM 299 CB SER A 18 4.654 13.412 4.530 1.00 52.34 C ATOM 300 OG SER A 18 5.261 12.971 5.740 1.00 63.42 O ATOM 0 H SER A 18 3.621 13.728 2.287 1.00 10.12 H new ATOM 0 HA SER A 18 5.085 11.633 3.354 1.00 3.53 H new ATOM 0 HB2 SER A 18 5.356 14.036 3.977 1.00 52.34 H new ATOM 0 HB3 SER A 18 3.789 14.033 4.762 1.00 52.34 H new ATOM 0 HG SER A 18 5.528 13.748 6.274 1.00 63.42 H new ATOM 306 N TYR A 19 2.007 11.720 4.626 1.00 15.04 N ATOM 307 CA TYR A 19 0.968 10.936 5.345 1.00 14.42 C ATOM 308 C TYR A 19 0.684 9.576 4.657 1.00 73.34 C ATOM 309 O TYR A 19 0.711 8.524 5.314 1.00 41.01 O ATOM 310 CB TYR A 19 -0.346 11.752 5.467 1.00 55.11 C ATOM 311 CG TYR A 19 -1.515 10.975 6.097 1.00 52.44 C ATOM 312 CD1 TYR A 19 -1.596 10.776 7.481 1.00 61.01 C ATOM 313 CD2 TYR A 19 -2.524 10.418 5.303 1.00 35.14 C ATOM 314 CE1 TYR A 19 -2.640 10.062 8.042 1.00 23.21 C ATOM 315 CE2 TYR A 19 -3.560 9.706 5.859 1.00 63.24 C ATOM 316 CZ TYR A 19 -3.619 9.528 7.227 1.00 30.10 C ATOM 317 OH TYR A 19 -4.665 8.816 7.780 1.00 15.34 O ATOM 0 H TYR A 19 1.671 12.616 4.272 1.00 15.04 H new ATOM 0 HA TYR A 19 1.357 10.729 6.342 1.00 14.42 H new ATOM 0 HB2 TYR A 19 -0.153 12.643 6.064 1.00 55.11 H new ATOM 0 HB3 TYR A 19 -0.643 12.092 4.475 1.00 55.11 H new ATOM 0 HD1 TYR A 19 -0.830 11.187 8.122 1.00 61.01 H new ATOM 0 HD2 TYR A 19 -2.488 10.550 4.232 1.00 35.14 H new ATOM 0 HE1 TYR A 19 -2.689 9.923 9.112 1.00 23.21 H new ATOM 0 HE2 TYR A 19 -4.328 9.286 5.226 1.00 63.24 H new ATOM 0 HH TYR A 19 -5.137 8.326 7.074 1.00 15.34 H new ATOM 327 N GLN A 20 0.385 9.624 3.337 1.00 44.20 N ATOM 328 CA GLN A 20 0.060 8.416 2.538 1.00 3.11 C ATOM 329 C GLN A 20 1.198 7.380 2.601 1.00 63.33 C ATOM 330 O GLN A 20 0.957 6.219 2.930 1.00 3.14 O ATOM 331 CB GLN A 20 -0.259 8.797 1.065 1.00 41.23 C ATOM 332 CG GLN A 20 -1.582 9.570 0.883 1.00 32.41 C ATOM 333 CD GLN A 20 -1.849 9.997 -0.566 1.00 14.11 C ATOM 334 OE1 GLN A 20 -0.928 10.259 -1.326 1.00 52.13 O ATOM 335 NE2 GLN A 20 -3.109 10.079 -0.956 1.00 24.35 N ATOM 0 H GLN A 20 0.362 10.491 2.800 1.00 44.20 H new ATOM 0 HA GLN A 20 -0.829 7.960 2.973 1.00 3.11 H new ATOM 0 HB2 GLN A 20 0.559 9.402 0.673 1.00 41.23 H new ATOM 0 HB3 GLN A 20 -0.298 7.887 0.467 1.00 41.23 H new ATOM 0 HG2 GLN A 20 -2.407 8.947 1.227 1.00 32.41 H new ATOM 0 HG3 GLN A 20 -1.565 10.456 1.517 1.00 32.41 H new ATOM 0 HE21 GLN A 20 -3.860 9.855 -0.304 1.00 24.35 H new ATOM 0 HE22 GLN A 20 -3.330 10.366 -1.909 1.00 24.35 H new ATOM 344 N LEU A 21 2.440 7.835 2.341 1.00 42.15 N ATOM 345 CA LEU A 21 3.646 6.980 2.402 1.00 53.33 C ATOM 346 C LEU A 21 3.849 6.377 3.811 1.00 72.31 C ATOM 347 O LEU A 21 4.184 5.211 3.931 1.00 11.12 O ATOM 348 CB LEU A 21 4.914 7.775 1.987 1.00 35.32 C ATOM 349 CG LEU A 21 4.936 8.309 0.519 1.00 13.12 C ATOM 350 CD1 LEU A 21 6.240 9.077 0.225 1.00 44.21 C ATOM 351 CD2 LEU A 21 4.715 7.173 -0.502 1.00 33.15 C ATOM 0 H LEU A 21 2.637 8.802 2.083 1.00 42.15 H new ATOM 0 HA LEU A 21 3.491 6.163 1.698 1.00 53.33 H new ATOM 0 HB2 LEU A 21 5.025 8.623 2.663 1.00 35.32 H new ATOM 0 HB3 LEU A 21 5.784 7.135 2.133 1.00 35.32 H new ATOM 0 HG LEU A 21 4.106 9.008 0.414 1.00 13.12 H new ATOM 0 HD11 LEU A 21 6.226 9.437 -0.804 1.00 44.21 H new ATOM 0 HD12 LEU A 21 6.324 9.925 0.905 1.00 44.21 H new ATOM 0 HD13 LEU A 21 7.093 8.413 0.366 1.00 44.21 H new ATOM 0 HD21 LEU A 21 4.737 7.582 -1.512 1.00 33.15 H new ATOM 0 HD22 LEU A 21 5.504 6.429 -0.395 1.00 33.15 H new ATOM 0 HD23 LEU A 21 3.748 6.704 -0.321 1.00 33.15 H new ATOM 363 N GLU A 22 3.618 7.184 4.863 1.00 13.43 N ATOM 364 CA GLU A 22 3.756 6.755 6.281 1.00 14.24 C ATOM 365 C GLU A 22 2.837 5.535 6.604 1.00 43.22 C ATOM 366 O GLU A 22 3.217 4.635 7.363 1.00 75.41 O ATOM 367 CB GLU A 22 3.444 7.980 7.214 1.00 43.12 C ATOM 368 CG GLU A 22 4.335 8.116 8.468 1.00 50.52 C ATOM 369 CD GLU A 22 3.986 7.135 9.597 1.00 13.21 C ATOM 370 OE1 GLU A 22 3.077 7.438 10.397 1.00 3.51 O ATOM 371 OE2 GLU A 22 4.594 6.048 9.688 1.00 4.01 O ATOM 0 H GLU A 22 3.329 8.157 4.761 1.00 13.43 H new ATOM 0 HA GLU A 22 4.779 6.422 6.458 1.00 14.24 H new ATOM 0 HB2 GLU A 22 3.536 8.893 6.626 1.00 43.12 H new ATOM 0 HB3 GLU A 22 2.405 7.912 7.536 1.00 43.12 H new ATOM 0 HG2 GLU A 22 5.375 7.965 8.179 1.00 50.52 H new ATOM 0 HG3 GLU A 22 4.254 9.134 8.849 1.00 50.52 H new ATOM 378 N GLU A 23 1.641 5.519 5.992 1.00 15.35 N ATOM 379 CA GLU A 23 0.655 4.420 6.137 1.00 54.44 C ATOM 380 C GLU A 23 0.982 3.208 5.220 1.00 65.34 C ATOM 381 O GLU A 23 0.809 2.052 5.620 1.00 34.25 O ATOM 382 CB GLU A 23 -0.764 4.954 5.820 1.00 63.42 C ATOM 383 CG GLU A 23 -1.242 6.115 6.718 1.00 71.31 C ATOM 384 CD GLU A 23 -1.287 5.738 8.208 1.00 40.03 C ATOM 385 OE1 GLU A 23 -2.211 4.998 8.611 1.00 62.41 O ATOM 386 OE2 GLU A 23 -0.398 6.159 8.978 1.00 41.14 O ATOM 0 H GLU A 23 1.324 6.269 5.378 1.00 15.35 H new ATOM 0 HA GLU A 23 0.703 4.067 7.167 1.00 54.44 H new ATOM 0 HB2 GLU A 23 -0.787 5.285 4.782 1.00 63.42 H new ATOM 0 HB3 GLU A 23 -1.473 4.131 5.908 1.00 63.42 H new ATOM 0 HG2 GLU A 23 -0.578 6.969 6.584 1.00 71.31 H new ATOM 0 HG3 GLU A 23 -2.235 6.430 6.398 1.00 71.31 H new ATOM 393 N LEU A 24 1.441 3.499 3.985 1.00 54.43 N ATOM 394 CA LEU A 24 1.795 2.469 2.964 1.00 32.22 C ATOM 395 C LEU A 24 2.996 1.597 3.430 1.00 73.13 C ATOM 396 O LEU A 24 2.981 0.366 3.279 1.00 21.33 O ATOM 397 CB LEU A 24 2.128 3.164 1.608 1.00 3.30 C ATOM 398 CG LEU A 24 0.936 3.871 0.876 1.00 25.55 C ATOM 399 CD1 LEU A 24 1.431 4.824 -0.234 1.00 74.21 C ATOM 400 CD2 LEU A 24 -0.074 2.849 0.316 1.00 21.40 C ATOM 0 H LEU A 24 1.580 4.455 3.659 1.00 54.43 H new ATOM 0 HA LEU A 24 0.937 1.810 2.833 1.00 32.22 H new ATOM 0 HB2 LEU A 24 2.907 3.905 1.786 1.00 3.30 H new ATOM 0 HB3 LEU A 24 2.547 2.416 0.935 1.00 3.30 H new ATOM 0 HG LEU A 24 0.419 4.474 1.622 1.00 25.55 H new ATOM 0 HD11 LEU A 24 0.575 5.295 -0.718 1.00 74.21 H new ATOM 0 HD12 LEU A 24 2.068 5.592 0.204 1.00 74.21 H new ATOM 0 HD13 LEU A 24 1.999 4.258 -0.972 1.00 74.21 H new ATOM 0 HD21 LEU A 24 -0.886 3.377 -0.184 1.00 21.40 H new ATOM 0 HD22 LEU A 24 0.428 2.195 -0.397 1.00 21.40 H new ATOM 0 HD23 LEU A 24 -0.479 2.252 1.133 1.00 21.40 H new ATOM 412 N GLU A 25 4.017 2.279 4.000 1.00 1.42 N ATOM 413 CA GLU A 25 5.232 1.659 4.588 1.00 52.45 C ATOM 414 C GLU A 25 4.873 0.583 5.642 1.00 53.31 C ATOM 415 O GLU A 25 5.417 -0.521 5.609 1.00 73.01 O ATOM 416 CB GLU A 25 6.119 2.762 5.240 1.00 42.12 C ATOM 417 CG GLU A 25 6.852 3.706 4.263 1.00 31.13 C ATOM 418 CD GLU A 25 8.086 3.065 3.619 1.00 32.14 C ATOM 419 OE1 GLU A 25 9.128 2.954 4.294 1.00 71.01 O ATOM 420 OE2 GLU A 25 8.030 2.663 2.442 1.00 41.12 O ATOM 0 H GLU A 25 4.021 3.297 4.066 1.00 1.42 H new ATOM 0 HA GLU A 25 5.781 1.168 3.785 1.00 52.45 H new ATOM 0 HB2 GLU A 25 5.491 3.366 5.895 1.00 42.12 H new ATOM 0 HB3 GLU A 25 6.863 2.276 5.871 1.00 42.12 H new ATOM 0 HG2 GLU A 25 6.161 4.016 3.480 1.00 31.13 H new ATOM 0 HG3 GLU A 25 7.155 4.607 4.796 1.00 31.13 H new ATOM 427 N LYS A 26 3.930 0.933 6.560 1.00 54.42 N ATOM 428 CA LYS A 26 3.423 0.013 7.629 1.00 51.50 C ATOM 429 C LYS A 26 3.018 -1.358 7.051 1.00 72.01 C ATOM 430 O LYS A 26 3.542 -2.397 7.454 1.00 54.20 O ATOM 431 CB LYS A 26 2.188 0.623 8.352 1.00 24.03 C ATOM 432 CG LYS A 26 2.452 1.916 9.141 1.00 73.14 C ATOM 433 CD LYS A 26 1.165 2.440 9.828 1.00 50.23 C ATOM 434 CE LYS A 26 1.410 3.665 10.719 1.00 41.13 C ATOM 435 NZ LYS A 26 1.923 4.817 9.949 1.00 72.44 N ATOM 0 H LYS A 26 3.498 1.857 6.584 1.00 54.42 H new ATOM 0 HA LYS A 26 4.240 -0.120 8.338 1.00 51.50 H new ATOM 0 HB2 LYS A 26 1.416 0.823 7.609 1.00 24.03 H new ATOM 0 HB3 LYS A 26 1.785 -0.123 9.037 1.00 24.03 H new ATOM 0 HG2 LYS A 26 3.218 1.733 9.894 1.00 73.14 H new ATOM 0 HG3 LYS A 26 2.842 2.680 8.468 1.00 73.14 H new ATOM 0 HD2 LYS A 26 0.432 2.696 9.063 1.00 50.23 H new ATOM 0 HD3 LYS A 26 0.732 1.642 10.431 1.00 50.23 H new ATOM 0 HE2 LYS A 26 0.480 3.945 11.214 1.00 41.13 H new ATOM 0 HE3 LYS A 26 2.122 3.407 11.502 1.00 41.13 H new ATOM 0 HZ1 LYS A 26 2.296 5.534 10.604 1.00 72.44 H new ATOM 0 HZ2 LYS A 26 2.683 4.499 9.314 1.00 72.44 H new ATOM 0 HZ3 LYS A 26 1.152 5.230 9.387 1.00 72.44 H new ATOM 449 N VAL A 27 2.110 -1.311 6.067 1.00 50.52 N ATOM 450 CA VAL A 27 1.492 -2.509 5.468 1.00 51.03 C ATOM 451 C VAL A 27 2.515 -3.347 4.657 1.00 20.15 C ATOM 452 O VAL A 27 2.399 -4.565 4.616 1.00 2.45 O ATOM 453 CB VAL A 27 0.253 -2.104 4.584 1.00 42.11 C ATOM 454 CG1 VAL A 27 -0.470 -3.345 3.995 1.00 11.14 C ATOM 455 CG2 VAL A 27 -0.733 -1.228 5.403 1.00 73.24 C ATOM 0 H VAL A 27 1.779 -0.437 5.659 1.00 50.52 H new ATOM 0 HA VAL A 27 1.142 -3.144 6.282 1.00 51.03 H new ATOM 0 HB VAL A 27 0.626 -1.520 3.743 1.00 42.11 H new ATOM 0 HG11 VAL A 27 -1.318 -3.020 3.392 1.00 11.14 H new ATOM 0 HG12 VAL A 27 0.224 -3.908 3.371 1.00 11.14 H new ATOM 0 HG13 VAL A 27 -0.824 -3.979 4.808 1.00 11.14 H new ATOM 0 HG21 VAL A 27 -1.584 -0.956 4.778 1.00 73.24 H new ATOM 0 HG22 VAL A 27 -1.084 -1.788 6.270 1.00 73.24 H new ATOM 0 HG23 VAL A 27 -0.225 -0.323 5.737 1.00 73.24 H new ATOM 465 N PHE A 28 3.533 -2.689 4.052 1.00 62.45 N ATOM 466 CA PHE A 28 4.635 -3.389 3.317 1.00 72.42 C ATOM 467 C PHE A 28 5.548 -4.176 4.291 1.00 22.33 C ATOM 468 O PHE A 28 6.049 -5.259 3.956 1.00 51.22 O ATOM 469 CB PHE A 28 5.471 -2.360 2.503 1.00 32.44 C ATOM 470 CG PHE A 28 6.479 -2.958 1.494 1.00 73.34 C ATOM 471 CD1 PHE A 28 6.059 -3.399 0.236 1.00 24.54 C ATOM 472 CD2 PHE A 28 7.844 -3.052 1.787 1.00 73.24 C ATOM 473 CE1 PHE A 28 6.958 -3.910 -0.684 1.00 64.24 C ATOM 474 CE2 PHE A 28 8.745 -3.566 0.866 1.00 5.02 C ATOM 475 CZ PHE A 28 8.301 -3.993 -0.371 1.00 65.31 C ATOM 0 H PHE A 28 3.621 -1.673 4.054 1.00 62.45 H new ATOM 0 HA PHE A 28 4.184 -4.105 2.630 1.00 72.42 H new ATOM 0 HB2 PHE A 28 4.784 -1.711 1.960 1.00 32.44 H new ATOM 0 HB3 PHE A 28 6.018 -1.730 3.204 1.00 32.44 H new ATOM 0 HD1 PHE A 28 5.012 -3.340 -0.023 1.00 24.54 H new ATOM 0 HD2 PHE A 28 8.203 -2.718 2.749 1.00 73.24 H new ATOM 0 HE1 PHE A 28 6.609 -4.245 -1.649 1.00 64.24 H new ATOM 0 HE2 PHE A 28 9.794 -3.632 1.116 1.00 5.02 H new ATOM 0 HZ PHE A 28 9.002 -4.390 -1.091 1.00 65.31 H new ATOM 485 N GLN A 29 5.758 -3.608 5.497 1.00 1.33 N ATOM 486 CA GLN A 29 6.572 -4.236 6.563 1.00 55.13 C ATOM 487 C GLN A 29 5.790 -5.364 7.292 1.00 60.31 C ATOM 488 O GLN A 29 6.395 -6.283 7.859 1.00 51.34 O ATOM 489 CB GLN A 29 7.041 -3.164 7.583 1.00 31.55 C ATOM 490 CG GLN A 29 7.847 -1.980 6.992 1.00 71.33 C ATOM 491 CD GLN A 29 9.061 -2.415 6.173 1.00 15.31 C ATOM 492 OE1 GLN A 29 8.886 -2.545 4.874 1.00 43.43 O flip ATOM 493 NE2 GLN A 29 10.149 -2.621 6.706 1.00 60.25 N flip ATOM 0 H GLN A 29 5.369 -2.702 5.761 1.00 1.33 H new ATOM 0 HA GLN A 29 7.444 -4.688 6.091 1.00 55.13 H new ATOM 0 HB2 GLN A 29 6.163 -2.764 8.091 1.00 31.55 H new ATOM 0 HB3 GLN A 29 7.653 -3.653 8.341 1.00 31.55 H new ATOM 0 HG2 GLN A 29 7.189 -1.382 6.361 1.00 71.33 H new ATOM 0 HG3 GLN A 29 8.180 -1.336 7.806 1.00 71.33 H new ATOM 0 HE21 GLN A 29 10.252 -2.511 7.715 1.00 60.25 H new ATOM 0 HE22 GLN A 29 10.949 -2.901 6.139 1.00 60.25 H new ATOM 502 N LYS A 30 4.447 -5.269 7.291 1.00 35.14 N ATOM 503 CA LYS A 30 3.558 -6.321 7.843 1.00 54.13 C ATOM 504 C LYS A 30 3.412 -7.499 6.848 1.00 70.54 C ATOM 505 O LYS A 30 3.464 -8.676 7.236 1.00 14.41 O ATOM 506 CB LYS A 30 2.160 -5.726 8.171 1.00 1.00 C ATOM 507 CG LYS A 30 2.178 -4.630 9.258 1.00 53.10 C ATOM 508 CD LYS A 30 0.769 -4.086 9.579 1.00 75.21 C ATOM 509 CE LYS A 30 0.797 -2.982 10.648 1.00 4.23 C ATOM 510 NZ LYS A 30 -0.564 -2.527 11.014 1.00 51.23 N ATOM 0 H LYS A 30 3.945 -4.467 6.911 1.00 35.14 H new ATOM 0 HA LYS A 30 4.009 -6.699 8.761 1.00 54.13 H new ATOM 0 HB2 LYS A 30 1.731 -5.310 7.259 1.00 1.00 H new ATOM 0 HB3 LYS A 30 1.501 -6.532 8.494 1.00 1.00 H new ATOM 0 HG2 LYS A 30 2.623 -5.033 10.168 1.00 53.10 H new ATOM 0 HG3 LYS A 30 2.814 -3.808 8.929 1.00 53.10 H new ATOM 0 HD2 LYS A 30 0.317 -3.694 8.668 1.00 75.21 H new ATOM 0 HD3 LYS A 30 0.136 -4.904 9.922 1.00 75.21 H new ATOM 0 HE2 LYS A 30 1.307 -3.352 11.538 1.00 4.23 H new ATOM 0 HE3 LYS A 30 1.375 -2.135 10.279 1.00 4.23 H new ATOM 0 HZ1 LYS A 30 -0.498 -1.783 11.737 1.00 51.23 H new ATOM 0 HZ2 LYS A 30 -1.042 -2.150 10.171 1.00 51.23 H new ATOM 0 HZ3 LYS A 30 -1.108 -3.329 11.391 1.00 51.23 H new ATOM 524 N THR A 31 3.226 -7.149 5.562 1.00 30.13 N ATOM 525 CA THR A 31 3.060 -8.109 4.453 1.00 4.55 C ATOM 526 C THR A 31 3.447 -7.451 3.107 1.00 1.33 C ATOM 527 O THR A 31 2.948 -6.383 2.748 1.00 71.24 O ATOM 528 CB THR A 31 1.598 -8.684 4.356 1.00 0.33 C ATOM 529 OG1 THR A 31 1.485 -9.546 3.203 1.00 3.22 O ATOM 530 CG2 THR A 31 0.511 -7.584 4.290 1.00 34.44 C ATOM 0 H THR A 31 3.186 -6.176 5.259 1.00 30.13 H new ATOM 0 HA THR A 31 3.727 -8.945 4.665 1.00 4.55 H new ATOM 0 HB THR A 31 1.424 -9.247 5.273 1.00 0.33 H new ATOM 0 HG1 THR A 31 0.675 -9.317 2.702 1.00 3.22 H new ATOM 0 HG21 THR A 31 -0.473 -8.048 4.224 1.00 34.44 H new ATOM 0 HG22 THR A 31 0.562 -6.968 5.187 1.00 34.44 H new ATOM 0 HG23 THR A 31 0.677 -6.960 3.412 1.00 34.44 H new ATOM 538 N HIS A 32 4.342 -8.103 2.357 1.00 73.22 N ATOM 539 CA HIS A 32 4.773 -7.622 1.026 1.00 54.05 C ATOM 540 C HIS A 32 3.649 -7.756 -0.037 1.00 24.41 C ATOM 541 O HIS A 32 3.734 -7.154 -1.106 1.00 13.44 O ATOM 542 CB HIS A 32 6.059 -8.368 0.587 1.00 1.04 C ATOM 543 CG HIS A 32 7.224 -8.123 1.515 1.00 52.44 C ATOM 544 ND1 HIS A 32 7.714 -9.066 2.392 1.00 42.50 N ATOM 545 CD2 HIS A 32 7.984 -7.018 1.705 1.00 71.03 C ATOM 546 CE1 HIS A 32 8.711 -8.552 3.081 1.00 61.33 C ATOM 547 NE2 HIS A 32 8.898 -7.313 2.684 1.00 72.33 N ATOM 0 H HIS A 32 4.789 -8.973 2.646 1.00 73.22 H new ATOM 0 HA HIS A 32 4.994 -6.558 1.107 1.00 54.05 H new ATOM 0 HB2 HIS A 32 5.855 -9.438 0.542 1.00 1.04 H new ATOM 0 HB3 HIS A 32 6.330 -8.052 -0.420 1.00 1.04 H new ATOM 0 HD2 HIS A 32 7.888 -6.078 1.182 1.00 71.03 H new ATOM 0 HE1 HIS A 32 9.280 -9.062 3.844 1.00 61.33 H new ATOM 0 HE2 HIS A 32 9.607 -6.675 3.045 1.00 72.33 H new ATOM 556 N TYR A 33 2.583 -8.515 0.294 1.00 33.03 N ATOM 557 CA TYR A 33 1.420 -8.738 -0.596 1.00 63.21 C ATOM 558 C TYR A 33 0.077 -8.585 0.191 1.00 40.43 C ATOM 559 O TYR A 33 -0.394 -9.524 0.844 1.00 53.04 O ATOM 560 CB TYR A 33 1.535 -10.129 -1.306 1.00 42.13 C ATOM 561 CG TYR A 33 1.655 -11.351 -0.363 1.00 60.21 C ATOM 562 CD1 TYR A 33 2.829 -11.593 0.363 1.00 73.53 C ATOM 563 CD2 TYR A 33 0.590 -12.245 -0.188 1.00 20.02 C ATOM 564 CE1 TYR A 33 2.936 -12.676 1.216 1.00 23.51 C ATOM 565 CE2 TYR A 33 0.694 -13.327 0.671 1.00 63.12 C ATOM 566 CZ TYR A 33 1.867 -13.536 1.371 1.00 1.31 C ATOM 567 OH TYR A 33 1.969 -14.604 2.240 1.00 73.32 O ATOM 0 H TYR A 33 2.503 -8.994 1.191 1.00 33.03 H new ATOM 0 HA TYR A 33 1.420 -7.974 -1.373 1.00 63.21 H new ATOM 0 HB2 TYR A 33 0.660 -10.267 -1.941 1.00 42.13 H new ATOM 0 HB3 TYR A 33 2.405 -10.112 -1.962 1.00 42.13 H new ATOM 0 HD1 TYR A 33 3.667 -10.920 0.254 1.00 73.53 H new ATOM 0 HD2 TYR A 33 -0.329 -12.088 -0.733 1.00 20.02 H new ATOM 0 HE1 TYR A 33 3.853 -12.849 1.759 1.00 23.51 H new ATOM 0 HE2 TYR A 33 -0.138 -14.004 0.793 1.00 63.12 H new ATOM 0 HH TYR A 33 1.131 -15.111 2.235 1.00 73.32 H new ATOM 577 N PRO A 34 -0.534 -7.358 0.214 1.00 62.13 N ATOM 578 CA PRO A 34 -1.894 -7.153 0.773 1.00 41.33 C ATOM 579 C PRO A 34 -3.006 -7.714 -0.157 1.00 12.03 C ATOM 580 O PRO A 34 -3.017 -7.435 -1.359 1.00 52.41 O ATOM 581 CB PRO A 34 -2.011 -5.599 0.924 1.00 70.14 C ATOM 582 CG PRO A 34 -0.621 -5.078 0.687 1.00 63.33 C ATOM 583 CD PRO A 34 0.051 -6.076 -0.229 1.00 12.20 C ATOM 0 HA PRO A 34 -2.029 -7.683 1.716 1.00 41.33 H new ATOM 0 HB2 PRO A 34 -2.716 -5.185 0.203 1.00 70.14 H new ATOM 0 HB3 PRO A 34 -2.371 -5.325 1.916 1.00 70.14 H new ATOM 0 HG2 PRO A 34 -0.648 -4.088 0.232 1.00 63.33 H new ATOM 0 HG3 PRO A 34 -0.076 -4.982 1.626 1.00 63.33 H new ATOM 0 HD2 PRO A 34 -0.163 -5.873 -1.278 1.00 12.20 H new ATOM 0 HD3 PRO A 34 1.135 -6.064 -0.117 1.00 12.20 H new ATOM 591 N ASP A 35 -3.920 -8.515 0.411 1.00 74.12 N ATOM 592 CA ASP A 35 -5.148 -8.986 -0.289 1.00 62.42 C ATOM 593 C ASP A 35 -6.151 -7.820 -0.483 1.00 74.30 C ATOM 594 O ASP A 35 -5.983 -6.763 0.122 1.00 1.10 O ATOM 595 CB ASP A 35 -5.792 -10.144 0.512 1.00 32.20 C ATOM 596 CG ASP A 35 -6.019 -9.787 1.991 1.00 32.11 C ATOM 597 OD1 ASP A 35 -5.098 -10.009 2.810 1.00 42.22 O ATOM 598 OD2 ASP A 35 -7.096 -9.258 2.340 1.00 43.31 O ATOM 0 H ASP A 35 -3.839 -8.860 1.367 1.00 74.12 H new ATOM 0 HA ASP A 35 -4.874 -9.354 -1.278 1.00 62.42 H new ATOM 0 HB2 ASP A 35 -6.746 -10.410 0.056 1.00 32.20 H new ATOM 0 HB3 ASP A 35 -5.152 -11.024 0.449 1.00 32.20 H new ATOM 603 N VAL A 36 -7.204 -8.043 -1.290 1.00 4.42 N ATOM 604 CA VAL A 36 -8.199 -6.992 -1.658 1.00 40.43 C ATOM 605 C VAL A 36 -8.819 -6.274 -0.416 1.00 2.42 C ATOM 606 O VAL A 36 -9.105 -5.074 -0.458 1.00 15.44 O ATOM 607 CB VAL A 36 -9.338 -7.606 -2.563 1.00 52.03 C ATOM 608 CG1 VAL A 36 -10.195 -8.652 -1.795 1.00 74.42 C ATOM 609 CG2 VAL A 36 -10.228 -6.502 -3.191 1.00 12.14 C ATOM 0 H VAL A 36 -7.398 -8.952 -1.710 1.00 4.42 H new ATOM 0 HA VAL A 36 -7.657 -6.232 -2.220 1.00 40.43 H new ATOM 0 HB VAL A 36 -8.841 -8.133 -3.378 1.00 52.03 H new ATOM 0 HG11 VAL A 36 -10.966 -9.047 -2.457 1.00 74.42 H new ATOM 0 HG12 VAL A 36 -9.556 -9.467 -1.455 1.00 74.42 H new ATOM 0 HG13 VAL A 36 -10.665 -8.176 -0.934 1.00 74.42 H new ATOM 0 HG21 VAL A 36 -11.000 -6.963 -3.807 1.00 12.14 H new ATOM 0 HG22 VAL A 36 -10.697 -5.918 -2.399 1.00 12.14 H new ATOM 0 HG23 VAL A 36 -9.614 -5.848 -3.809 1.00 12.14 H new ATOM 619 N TYR A 37 -8.973 -7.029 0.694 1.00 71.23 N ATOM 620 CA TYR A 37 -9.552 -6.522 1.962 1.00 61.42 C ATOM 621 C TYR A 37 -8.497 -5.734 2.780 1.00 63.42 C ATOM 622 O TYR A 37 -8.814 -4.719 3.411 1.00 21.32 O ATOM 623 CB TYR A 37 -10.116 -7.714 2.775 1.00 0.35 C ATOM 624 CG TYR A 37 -10.912 -7.331 4.023 1.00 52.41 C ATOM 625 CD1 TYR A 37 -12.255 -6.969 3.921 1.00 64.44 C ATOM 626 CD2 TYR A 37 -10.333 -7.340 5.296 1.00 63.31 C ATOM 627 CE1 TYR A 37 -12.989 -6.632 5.039 1.00 22.55 C ATOM 628 CE2 TYR A 37 -11.063 -7.007 6.412 1.00 21.32 C ATOM 629 CZ TYR A 37 -12.385 -6.653 6.284 1.00 64.30 C ATOM 630 OH TYR A 37 -13.106 -6.327 7.408 1.00 64.21 O ATOM 0 H TYR A 37 -8.699 -8.011 0.738 1.00 71.23 H new ATOM 0 HA TYR A 37 -10.363 -5.830 1.735 1.00 61.42 H new ATOM 0 HB2 TYR A 37 -10.757 -8.307 2.123 1.00 0.35 H new ATOM 0 HB3 TYR A 37 -9.286 -8.354 3.075 1.00 0.35 H new ATOM 0 HD1 TYR A 37 -12.728 -6.952 2.950 1.00 64.44 H new ATOM 0 HD2 TYR A 37 -9.294 -7.613 5.404 1.00 63.31 H new ATOM 0 HE1 TYR A 37 -14.028 -6.354 4.944 1.00 22.55 H new ATOM 0 HE2 TYR A 37 -10.599 -7.023 7.387 1.00 21.32 H new ATOM 0 HH TYR A 37 -12.529 -6.394 8.197 1.00 64.21 H new ATOM 640 N ALA A 38 -7.240 -6.218 2.758 1.00 25.11 N ATOM 641 CA ALA A 38 -6.094 -5.530 3.401 1.00 12.42 C ATOM 642 C ALA A 38 -5.782 -4.175 2.709 1.00 41.44 C ATOM 643 O ALA A 38 -5.338 -3.216 3.360 1.00 5.23 O ATOM 644 CB ALA A 38 -4.858 -6.438 3.392 1.00 1.31 C ATOM 0 H ALA A 38 -6.987 -7.092 2.297 1.00 25.11 H new ATOM 0 HA ALA A 38 -6.367 -5.316 4.434 1.00 12.42 H new ATOM 0 HB1 ALA A 38 -4.024 -5.922 3.867 1.00 1.31 H new ATOM 0 HB2 ALA A 38 -5.076 -7.355 3.940 1.00 1.31 H new ATOM 0 HB3 ALA A 38 -4.595 -6.684 2.363 1.00 1.31 H new ATOM 650 N ARG A 39 -6.024 -4.118 1.382 1.00 22.24 N ATOM 651 CA ARG A 39 -5.892 -2.877 0.587 1.00 35.03 C ATOM 652 C ARG A 39 -7.016 -1.883 0.941 1.00 1.30 C ATOM 653 O ARG A 39 -6.793 -0.684 0.921 1.00 50.05 O ATOM 654 CB ARG A 39 -5.944 -3.172 -0.933 1.00 2.44 C ATOM 655 CG ARG A 39 -4.910 -4.195 -1.440 1.00 14.24 C ATOM 656 CD ARG A 39 -5.085 -4.500 -2.944 1.00 20.43 C ATOM 657 NE ARG A 39 -4.419 -5.761 -3.348 1.00 5.33 N ATOM 658 CZ ARG A 39 -4.842 -6.562 -4.304 1.00 72.12 C ATOM 659 NH1 ARG A 39 -5.911 -6.277 -4.981 1.00 41.00 N ATOM 660 NH2 ARG A 39 -4.201 -7.657 -4.562 1.00 54.32 N ATOM 0 H ARG A 39 -6.315 -4.927 0.833 1.00 22.24 H new ATOM 0 HA ARG A 39 -4.924 -2.440 0.831 1.00 35.03 H new ATOM 0 HB2 ARG A 39 -6.941 -3.534 -1.182 1.00 2.44 H new ATOM 0 HB3 ARG A 39 -5.800 -2.236 -1.473 1.00 2.44 H new ATOM 0 HG2 ARG A 39 -3.905 -3.812 -1.263 1.00 14.24 H new ATOM 0 HG3 ARG A 39 -5.005 -5.119 -0.870 1.00 14.24 H new ATOM 0 HD2 ARG A 39 -6.148 -4.563 -3.177 1.00 20.43 H new ATOM 0 HD3 ARG A 39 -4.679 -3.675 -3.529 1.00 20.43 H new ATOM 0 HE ARG A 39 -3.571 -6.028 -2.849 1.00 5.33 H new ATOM 0 HH11 ARG A 39 -6.433 -5.425 -4.775 1.00 41.00 H new ATOM 0 HH12 ARG A 39 -6.230 -6.905 -5.719 1.00 41.00 H new ATOM 0 HH21 ARG A 39 -3.368 -7.899 -4.025 1.00 54.32 H new ATOM 0 HH22 ARG A 39 -4.529 -8.277 -5.302 1.00 54.32 H new ATOM 674 N GLU A 40 -8.233 -2.410 1.240 1.00 24.44 N ATOM 675 CA GLU A 40 -9.396 -1.594 1.698 1.00 63.24 C ATOM 676 C GLU A 40 -9.110 -0.851 3.026 1.00 64.02 C ATOM 677 O GLU A 40 -9.418 0.336 3.156 1.00 11.30 O ATOM 678 CB GLU A 40 -10.656 -2.495 1.860 1.00 62.42 C ATOM 679 CG GLU A 40 -11.354 -2.866 0.542 1.00 41.42 C ATOM 680 CD GLU A 40 -12.025 -1.658 -0.137 1.00 72.22 C ATOM 681 OE1 GLU A 40 -13.121 -1.253 0.310 1.00 12.05 O ATOM 682 OE2 GLU A 40 -11.472 -1.107 -1.113 1.00 43.34 O ATOM 0 H GLU A 40 -8.438 -3.407 1.172 1.00 24.44 H new ATOM 0 HA GLU A 40 -9.577 -0.840 0.932 1.00 63.24 H new ATOM 0 HB2 GLU A 40 -10.366 -3.412 2.373 1.00 62.42 H new ATOM 0 HB3 GLU A 40 -11.372 -1.983 2.503 1.00 62.42 H new ATOM 0 HG2 GLU A 40 -10.624 -3.302 -0.140 1.00 41.42 H new ATOM 0 HG3 GLU A 40 -12.105 -3.631 0.737 1.00 41.42 H new ATOM 689 N GLN A 41 -8.533 -1.573 4.005 1.00 62.45 N ATOM 690 CA GLN A 41 -8.126 -0.996 5.316 1.00 3.12 C ATOM 691 C GLN A 41 -7.115 0.159 5.116 1.00 3.10 C ATOM 692 O GLN A 41 -7.243 1.241 5.707 1.00 64.23 O ATOM 693 CB GLN A 41 -7.500 -2.111 6.196 1.00 3.31 C ATOM 694 CG GLN A 41 -8.451 -3.285 6.504 1.00 54.11 C ATOM 695 CD GLN A 41 -7.754 -4.449 7.211 1.00 11.52 C ATOM 696 OE1 GLN A 41 -7.255 -5.365 6.576 1.00 14.32 O ATOM 697 NE2 GLN A 41 -7.701 -4.417 8.526 1.00 33.11 N ATOM 0 H GLN A 41 -8.333 -2.569 3.918 1.00 62.45 H new ATOM 0 HA GLN A 41 -9.007 -0.591 5.814 1.00 3.12 H new ATOM 0 HB2 GLN A 41 -6.613 -2.499 5.694 1.00 3.31 H new ATOM 0 HB3 GLN A 41 -7.167 -1.672 7.136 1.00 3.31 H new ATOM 0 HG2 GLN A 41 -9.271 -2.927 7.127 1.00 54.11 H new ATOM 0 HG3 GLN A 41 -8.891 -3.643 5.573 1.00 54.11 H new ATOM 0 HE21 GLN A 41 -8.125 -3.641 9.035 1.00 33.11 H new ATOM 0 HE22 GLN A 41 -7.236 -5.168 9.036 1.00 33.11 H new ATOM 706 N LEU A 42 -6.137 -0.099 4.237 1.00 43.31 N ATOM 707 CA LEU A 42 -5.083 0.866 3.861 1.00 52.22 C ATOM 708 C LEU A 42 -5.642 2.042 3.013 1.00 5.52 C ATOM 709 O LEU A 42 -5.158 3.171 3.111 1.00 33.23 O ATOM 710 CB LEU A 42 -3.979 0.099 3.094 1.00 42.34 C ATOM 711 CG LEU A 42 -2.778 0.930 2.544 1.00 24.23 C ATOM 712 CD1 LEU A 42 -2.081 1.749 3.655 1.00 23.24 C ATOM 713 CD2 LEU A 42 -1.785 0.001 1.816 1.00 20.34 C ATOM 0 H LEU A 42 -6.051 -0.995 3.758 1.00 43.31 H new ATOM 0 HA LEU A 42 -4.670 1.316 4.764 1.00 52.22 H new ATOM 0 HB2 LEU A 42 -3.581 -0.670 3.756 1.00 42.34 H new ATOM 0 HB3 LEU A 42 -4.447 -0.414 2.254 1.00 42.34 H new ATOM 0 HG LEU A 42 -3.167 1.654 1.828 1.00 24.23 H new ATOM 0 HD11 LEU A 42 -1.252 2.311 3.226 1.00 23.24 H new ATOM 0 HD12 LEU A 42 -2.796 2.440 4.101 1.00 23.24 H new ATOM 0 HD13 LEU A 42 -1.703 1.073 4.422 1.00 23.24 H new ATOM 0 HD21 LEU A 42 -0.950 0.588 1.435 1.00 20.34 H new ATOM 0 HD22 LEU A 42 -1.413 -0.751 2.512 1.00 20.34 H new ATOM 0 HD23 LEU A 42 -2.290 -0.492 0.986 1.00 20.34 H new ATOM 725 N ALA A 43 -6.663 1.763 2.193 1.00 75.42 N ATOM 726 CA ALA A 43 -7.345 2.776 1.352 1.00 4.02 C ATOM 727 C ALA A 43 -8.202 3.737 2.209 1.00 12.14 C ATOM 728 O ALA A 43 -8.351 4.912 1.881 1.00 34.12 O ATOM 729 CB ALA A 43 -8.211 2.081 0.295 1.00 22.33 C ATOM 0 H ALA A 43 -7.048 0.824 2.088 1.00 75.42 H new ATOM 0 HA ALA A 43 -6.582 3.373 0.852 1.00 4.02 H new ATOM 0 HB1 ALA A 43 -8.709 2.832 -0.319 1.00 22.33 H new ATOM 0 HB2 ALA A 43 -7.581 1.455 -0.337 1.00 22.33 H new ATOM 0 HB3 ALA A 43 -8.960 1.461 0.788 1.00 22.33 H new ATOM 735 N MET A 44 -8.760 3.214 3.320 1.00 74.52 N ATOM 736 CA MET A 44 -9.488 4.032 4.326 1.00 65.04 C ATOM 737 C MET A 44 -8.512 4.817 5.244 1.00 50.23 C ATOM 738 O MET A 44 -8.940 5.642 6.059 1.00 25.45 O ATOM 739 CB MET A 44 -10.455 3.148 5.155 1.00 23.21 C ATOM 740 CG MET A 44 -11.566 2.517 4.303 1.00 24.23 C ATOM 741 SD MET A 44 -12.501 3.760 3.372 1.00 12.25 S ATOM 742 CE MET A 44 -13.499 2.743 2.277 1.00 50.31 C ATOM 0 H MET A 44 -8.722 2.221 3.549 1.00 74.52 H new ATOM 0 HA MET A 44 -10.082 4.770 3.787 1.00 65.04 H new ATOM 0 HB2 MET A 44 -9.887 2.358 5.645 1.00 23.21 H new ATOM 0 HB3 MET A 44 -10.906 3.752 5.942 1.00 23.21 H new ATOM 0 HG2 MET A 44 -11.127 1.800 3.609 1.00 24.23 H new ATOM 0 HG3 MET A 44 -12.246 1.961 4.949 1.00 24.23 H new ATOM 0 HE1 MET A 44 -14.120 3.384 1.651 1.00 50.31 H new ATOM 0 HE2 MET A 44 -12.847 2.140 1.645 1.00 50.31 H new ATOM 0 HE3 MET A 44 -14.137 2.087 2.870 1.00 50.31 H new ATOM 752 N ARG A 45 -7.200 4.544 5.108 1.00 60.24 N ATOM 753 CA ARG A 45 -6.130 5.378 5.692 1.00 30.01 C ATOM 754 C ARG A 45 -5.670 6.469 4.684 1.00 3.15 C ATOM 755 O ARG A 45 -5.625 7.647 5.019 1.00 61.40 O ATOM 756 CB ARG A 45 -4.921 4.488 6.117 1.00 24.33 C ATOM 757 CG ARG A 45 -5.217 3.500 7.266 1.00 2.23 C ATOM 758 CD ARG A 45 -5.585 4.218 8.578 1.00 62.33 C ATOM 759 NE ARG A 45 -5.724 3.281 9.710 1.00 54.34 N ATOM 760 CZ ARG A 45 -4.883 3.168 10.725 1.00 22.10 C ATOM 761 NH1 ARG A 45 -3.776 3.850 10.771 1.00 21.43 N ATOM 762 NH2 ARG A 45 -5.154 2.349 11.686 1.00 70.44 N ATOM 0 H ARG A 45 -6.851 3.738 4.589 1.00 60.24 H new ATOM 0 HA ARG A 45 -6.527 5.875 6.577 1.00 30.01 H new ATOM 0 HB2 ARG A 45 -4.581 3.923 5.249 1.00 24.33 H new ATOM 0 HB3 ARG A 45 -4.098 5.137 6.417 1.00 24.33 H new ATOM 0 HG2 ARG A 45 -6.035 2.842 6.974 1.00 2.23 H new ATOM 0 HG3 ARG A 45 -4.344 2.869 7.433 1.00 2.23 H new ATOM 0 HD2 ARG A 45 -4.818 4.956 8.813 1.00 62.33 H new ATOM 0 HD3 ARG A 45 -6.520 4.761 8.442 1.00 62.33 H new ATOM 0 HE ARG A 45 -6.539 2.668 9.710 1.00 54.34 H new ATOM 0 HH11 ARG A 45 -3.540 4.490 10.013 1.00 21.43 H new ATOM 0 HH12 ARG A 45 -3.145 3.745 11.565 1.00 21.43 H new ATOM 0 HH21 ARG A 45 -6.011 1.796 11.658 1.00 70.44 H new ATOM 0 HH22 ARG A 45 -4.511 2.255 12.473 1.00 70.44 H new ATOM 776 N THR A 46 -5.387 6.058 3.432 1.00 70.04 N ATOM 777 CA THR A 46 -4.622 6.887 2.445 1.00 63.13 C ATOM 778 C THR A 46 -5.484 7.534 1.330 1.00 61.31 C ATOM 779 O THR A 46 -4.939 8.288 0.512 1.00 34.44 O ATOM 780 CB THR A 46 -3.527 6.014 1.753 1.00 71.33 C ATOM 781 OG1 THR A 46 -4.140 4.912 1.055 1.00 4.32 O ATOM 782 CG2 THR A 46 -2.499 5.470 2.756 1.00 65.03 C ATOM 0 H THR A 46 -5.675 5.150 3.066 1.00 70.04 H new ATOM 0 HA THR A 46 -4.195 7.699 3.034 1.00 63.13 H new ATOM 0 HB THR A 46 -3.001 6.659 1.049 1.00 71.33 H new ATOM 0 HG1 THR A 46 -4.508 4.277 1.705 1.00 4.32 H new ATOM 0 HG21 THR A 46 -1.758 4.869 2.228 1.00 65.03 H new ATOM 0 HG22 THR A 46 -2.003 6.302 3.256 1.00 65.03 H new ATOM 0 HG23 THR A 46 -3.006 4.852 3.497 1.00 65.03 H new ATOM 790 N ASP A 47 -6.800 7.217 1.285 1.00 74.01 N ATOM 791 CA ASP A 47 -7.748 7.682 0.218 1.00 1.45 C ATOM 792 C ASP A 47 -7.401 7.118 -1.199 1.00 62.34 C ATOM 793 O ASP A 47 -7.954 7.586 -2.206 1.00 53.44 O ATOM 794 CB ASP A 47 -7.846 9.244 0.177 1.00 43.25 C ATOM 795 CG ASP A 47 -8.441 9.857 1.455 1.00 20.04 C ATOM 796 OD1 ASP A 47 -7.693 10.061 2.432 1.00 61.41 O ATOM 797 OD2 ASP A 47 -9.659 10.136 1.488 1.00 20.34 O ATOM 0 H ASP A 47 -7.247 6.628 1.988 1.00 74.01 H new ATOM 0 HA ASP A 47 -8.723 7.278 0.491 1.00 1.45 H new ATOM 0 HB2 ASP A 47 -6.851 9.658 0.015 1.00 43.25 H new ATOM 0 HB3 ASP A 47 -8.457 9.539 -0.676 1.00 43.25 H new ATOM 802 N LEU A 48 -6.514 6.103 -1.277 1.00 31.03 N ATOM 803 CA LEU A 48 -6.018 5.575 -2.571 1.00 71.10 C ATOM 804 C LEU A 48 -6.932 4.462 -3.138 1.00 61.13 C ATOM 805 O LEU A 48 -7.507 3.672 -2.395 1.00 13.33 O ATOM 806 CB LEU A 48 -4.568 5.046 -2.424 1.00 43.13 C ATOM 807 CG LEU A 48 -3.489 6.105 -2.023 1.00 33.15 C ATOM 808 CD1 LEU A 48 -2.109 5.444 -1.821 1.00 3.41 C ATOM 809 CD2 LEU A 48 -3.414 7.259 -3.051 1.00 1.10 C ATOM 0 H LEU A 48 -6.125 5.631 -0.460 1.00 31.03 H new ATOM 0 HA LEU A 48 -6.030 6.404 -3.279 1.00 71.10 H new ATOM 0 HB2 LEU A 48 -4.566 4.253 -1.676 1.00 43.13 H new ATOM 0 HB3 LEU A 48 -4.270 4.593 -3.370 1.00 43.13 H new ATOM 0 HG LEU A 48 -3.794 6.539 -1.070 1.00 33.15 H new ATOM 0 HD11 LEU A 48 -1.379 6.204 -1.543 1.00 3.41 H new ATOM 0 HD12 LEU A 48 -2.175 4.698 -1.029 1.00 3.41 H new ATOM 0 HD13 LEU A 48 -1.797 4.963 -2.748 1.00 3.41 H new ATOM 0 HD21 LEU A 48 -2.654 7.975 -2.739 1.00 1.10 H new ATOM 0 HD22 LEU A 48 -3.154 6.857 -4.030 1.00 1.10 H new ATOM 0 HD23 LEU A 48 -4.381 7.758 -3.109 1.00 1.10 H new ATOM 821 N THR A 49 -7.040 4.440 -4.477 1.00 20.01 N ATOM 822 CA THR A 49 -7.764 3.396 -5.249 1.00 74.20 C ATOM 823 C THR A 49 -6.961 2.070 -5.260 1.00 0.30 C ATOM 824 O THR A 49 -5.733 2.114 -5.142 1.00 61.15 O ATOM 825 CB THR A 49 -7.983 3.900 -6.726 1.00 31.12 C ATOM 826 OG1 THR A 49 -8.717 5.139 -6.702 1.00 13.12 O ATOM 827 CG2 THR A 49 -8.720 2.885 -7.627 1.00 11.41 C ATOM 0 H THR A 49 -6.622 5.156 -5.071 1.00 20.01 H new ATOM 0 HA THR A 49 -8.728 3.210 -4.776 1.00 74.20 H new ATOM 0 HB THR A 49 -6.992 4.036 -7.159 1.00 31.12 H new ATOM 0 HG1 THR A 49 -8.853 5.456 -7.619 1.00 13.12 H new ATOM 0 HG21 THR A 49 -8.834 3.302 -8.628 1.00 11.41 H new ATOM 0 HG22 THR A 49 -8.143 1.962 -7.682 1.00 11.41 H new ATOM 0 HG23 THR A 49 -9.704 2.674 -7.208 1.00 11.41 H new ATOM 835 N GLU A 50 -7.656 0.907 -5.411 1.00 21.33 N ATOM 836 CA GLU A 50 -7.014 -0.429 -5.630 1.00 63.42 C ATOM 837 C GLU A 50 -5.791 -0.349 -6.580 1.00 70.12 C ATOM 838 O GLU A 50 -4.736 -0.905 -6.286 1.00 71.22 O ATOM 839 CB GLU A 50 -8.049 -1.424 -6.229 1.00 64.20 C ATOM 840 CG GLU A 50 -9.042 -2.046 -5.233 1.00 10.22 C ATOM 841 CD GLU A 50 -8.440 -3.177 -4.372 1.00 71.25 C ATOM 842 OE1 GLU A 50 -8.045 -4.223 -4.943 1.00 54.11 O ATOM 843 OE2 GLU A 50 -8.383 -3.039 -3.134 1.00 0.13 O ATOM 0 H GLU A 50 -8.675 0.866 -5.385 1.00 21.33 H new ATOM 0 HA GLU A 50 -6.665 -0.776 -4.657 1.00 63.42 H new ATOM 0 HB2 GLU A 50 -8.617 -0.905 -7.001 1.00 64.20 H new ATOM 0 HB3 GLU A 50 -7.505 -2.231 -6.721 1.00 64.20 H new ATOM 0 HG2 GLU A 50 -9.419 -1.263 -4.575 1.00 10.22 H new ATOM 0 HG3 GLU A 50 -9.897 -2.438 -5.784 1.00 10.22 H new ATOM 850 N ALA A 51 -5.968 0.367 -7.713 1.00 72.52 N ATOM 851 CA ALA A 51 -4.890 0.641 -8.686 1.00 23.10 C ATOM 852 C ALA A 51 -3.651 1.281 -8.007 1.00 63.40 C ATOM 853 O ALA A 51 -2.585 0.683 -7.995 1.00 11.54 O ATOM 854 CB ALA A 51 -5.419 1.546 -9.813 1.00 31.15 C ATOM 0 H ALA A 51 -6.866 0.772 -7.978 1.00 72.52 H new ATOM 0 HA ALA A 51 -4.570 -0.310 -9.111 1.00 23.10 H new ATOM 0 HB1 ALA A 51 -4.619 1.744 -10.527 1.00 31.15 H new ATOM 0 HB2 ALA A 51 -6.244 1.048 -10.322 1.00 31.15 H new ATOM 0 HB3 ALA A 51 -5.769 2.488 -9.390 1.00 31.15 H new ATOM 860 N ARG A 52 -3.833 2.462 -7.380 1.00 24.51 N ATOM 861 CA ARG A 52 -2.720 3.250 -6.761 1.00 64.52 C ATOM 862 C ARG A 52 -2.018 2.504 -5.597 1.00 52.11 C ATOM 863 O ARG A 52 -0.806 2.668 -5.391 1.00 44.13 O ATOM 864 CB ARG A 52 -3.230 4.629 -6.272 1.00 51.33 C ATOM 865 CG ARG A 52 -3.606 5.607 -7.404 1.00 23.11 C ATOM 866 CD ARG A 52 -4.048 6.983 -6.870 1.00 4.22 C ATOM 867 NE ARG A 52 -4.250 7.964 -7.954 1.00 61.33 N ATOM 868 CZ ARG A 52 -4.972 9.061 -7.872 1.00 71.10 C ATOM 869 NH1 ARG A 52 -5.629 9.358 -6.795 1.00 32.30 N ATOM 870 NH2 ARG A 52 -5.039 9.849 -8.893 1.00 24.24 N ATOM 0 H ARG A 52 -4.747 2.904 -7.283 1.00 24.51 H new ATOM 0 HA ARG A 52 -1.976 3.391 -7.545 1.00 64.52 H new ATOM 0 HB2 ARG A 52 -4.102 4.476 -5.636 1.00 51.33 H new ATOM 0 HB3 ARG A 52 -2.460 5.089 -5.652 1.00 51.33 H new ATOM 0 HG2 ARG A 52 -2.751 5.736 -8.068 1.00 23.11 H new ATOM 0 HG3 ARG A 52 -4.411 5.176 -8.000 1.00 23.11 H new ATOM 0 HD2 ARG A 52 -4.974 6.871 -6.306 1.00 4.22 H new ATOM 0 HD3 ARG A 52 -3.296 7.360 -6.177 1.00 4.22 H new ATOM 0 HE ARG A 52 -3.790 7.775 -8.844 1.00 61.33 H new ATOM 0 HH11 ARG A 52 -5.593 8.736 -5.988 1.00 32.30 H new ATOM 0 HH12 ARG A 52 -6.182 10.214 -6.755 1.00 32.30 H new ATOM 0 HH21 ARG A 52 -4.536 9.618 -9.750 1.00 24.24 H new ATOM 0 HH22 ARG A 52 -5.595 10.703 -8.843 1.00 24.24 H new ATOM 884 N VAL A 53 -2.796 1.702 -4.840 1.00 60.54 N ATOM 885 CA VAL A 53 -2.258 0.830 -3.772 1.00 72.35 C ATOM 886 C VAL A 53 -1.295 -0.217 -4.387 1.00 0.20 C ATOM 887 O VAL A 53 -0.111 -0.257 -4.043 1.00 64.33 O ATOM 888 CB VAL A 53 -3.421 0.118 -2.966 1.00 43.51 C ATOM 889 CG1 VAL A 53 -2.862 -0.826 -1.866 1.00 43.35 C ATOM 890 CG2 VAL A 53 -4.384 1.161 -2.339 1.00 40.23 C ATOM 0 H VAL A 53 -3.808 1.640 -4.950 1.00 60.54 H new ATOM 0 HA VAL A 53 -1.706 1.451 -3.066 1.00 72.35 H new ATOM 0 HB VAL A 53 -3.980 -0.489 -3.678 1.00 43.51 H new ATOM 0 HG11 VAL A 53 -3.690 -1.296 -1.335 1.00 43.35 H new ATOM 0 HG12 VAL A 53 -2.243 -1.596 -2.327 1.00 43.35 H new ATOM 0 HG13 VAL A 53 -2.260 -0.250 -1.163 1.00 43.35 H new ATOM 0 HG21 VAL A 53 -5.173 0.645 -1.792 1.00 40.23 H new ATOM 0 HG22 VAL A 53 -3.829 1.804 -1.656 1.00 40.23 H new ATOM 0 HG23 VAL A 53 -4.827 1.768 -3.129 1.00 40.23 H new ATOM 900 N GLN A 54 -1.810 -0.992 -5.367 1.00 35.13 N ATOM 901 CA GLN A 54 -1.026 -2.033 -6.077 1.00 73.00 C ATOM 902 C GLN A 54 0.221 -1.441 -6.784 1.00 52.51 C ATOM 903 O GLN A 54 1.276 -2.040 -6.726 1.00 73.35 O ATOM 904 CB GLN A 54 -1.908 -2.793 -7.108 1.00 75.23 C ATOM 905 CG GLN A 54 -3.078 -3.594 -6.482 1.00 51.41 C ATOM 906 CD GLN A 54 -3.961 -4.339 -7.498 1.00 13.21 C ATOM 907 OE1 GLN A 54 -5.166 -4.491 -7.304 1.00 72.34 O ATOM 908 NE2 GLN A 54 -3.374 -4.844 -8.569 1.00 10.52 N ATOM 0 H GLN A 54 -2.775 -0.916 -5.688 1.00 35.13 H new ATOM 0 HA GLN A 54 -0.681 -2.736 -5.319 1.00 73.00 H new ATOM 0 HB2 GLN A 54 -2.315 -2.074 -7.819 1.00 75.23 H new ATOM 0 HB3 GLN A 54 -1.276 -3.478 -7.673 1.00 75.23 H new ATOM 0 HG2 GLN A 54 -2.669 -4.318 -5.777 1.00 51.41 H new ATOM 0 HG3 GLN A 54 -3.704 -2.910 -5.910 1.00 51.41 H new ATOM 0 HE21 GLN A 54 -2.374 -4.708 -8.714 1.00 10.52 H new ATOM 0 HE22 GLN A 54 -3.921 -5.369 -9.251 1.00 10.52 H new ATOM 917 N VAL A 55 0.084 -0.248 -7.417 1.00 45.41 N ATOM 918 CA VAL A 55 1.200 0.447 -8.124 1.00 30.12 C ATOM 919 C VAL A 55 2.390 0.729 -7.169 1.00 13.32 C ATOM 920 O VAL A 55 3.546 0.417 -7.507 1.00 73.24 O ATOM 921 CB VAL A 55 0.719 1.795 -8.801 1.00 23.03 C ATOM 922 CG1 VAL A 55 1.912 2.638 -9.344 1.00 15.13 C ATOM 923 CG2 VAL A 55 -0.295 1.513 -9.939 1.00 50.53 C ATOM 0 H VAL A 55 -0.799 0.261 -7.454 1.00 45.41 H new ATOM 0 HA VAL A 55 1.538 -0.228 -8.910 1.00 30.12 H new ATOM 0 HB VAL A 55 0.226 2.379 -8.024 1.00 23.03 H new ATOM 0 HG11 VAL A 55 1.533 3.553 -9.799 1.00 15.13 H new ATOM 0 HG12 VAL A 55 2.582 2.892 -8.522 1.00 15.13 H new ATOM 0 HG13 VAL A 55 2.456 2.060 -10.090 1.00 15.13 H new ATOM 0 HG21 VAL A 55 -0.610 2.455 -10.388 1.00 50.53 H new ATOM 0 HG22 VAL A 55 0.175 0.889 -10.699 1.00 50.53 H new ATOM 0 HG23 VAL A 55 -1.164 0.997 -9.532 1.00 50.53 H new ATOM 933 N TRP A 56 2.087 1.295 -5.971 1.00 14.11 N ATOM 934 CA TRP A 56 3.111 1.591 -4.935 1.00 32.41 C ATOM 935 C TRP A 56 3.879 0.302 -4.557 1.00 43.24 C ATOM 936 O TRP A 56 5.105 0.240 -4.683 1.00 25.20 O ATOM 937 CB TRP A 56 2.466 2.221 -3.668 1.00 24.42 C ATOM 938 CG TRP A 56 3.474 2.702 -2.628 1.00 41.12 C ATOM 939 CD1 TRP A 56 4.071 3.930 -2.577 1.00 45.32 C ATOM 940 CD2 TRP A 56 4.013 1.963 -1.510 1.00 11.42 C ATOM 941 NE1 TRP A 56 4.904 4.012 -1.489 1.00 62.12 N ATOM 942 CE2 TRP A 56 4.895 2.820 -0.828 1.00 63.44 C ATOM 943 CE3 TRP A 56 3.832 0.668 -1.023 1.00 44.43 C ATOM 944 CZ2 TRP A 56 5.584 2.428 0.319 1.00 51.11 C ATOM 945 CZ3 TRP A 56 4.518 0.276 0.108 1.00 23.23 C ATOM 946 CH2 TRP A 56 5.385 1.153 0.769 1.00 12.13 C ATOM 0 H TRP A 56 1.139 1.556 -5.699 1.00 14.11 H new ATOM 0 HA TRP A 56 3.811 2.314 -5.353 1.00 32.41 H new ATOM 0 HB2 TRP A 56 1.843 3.063 -3.971 1.00 24.42 H new ATOM 0 HB3 TRP A 56 1.806 1.487 -3.206 1.00 24.42 H new ATOM 0 HD1 TRP A 56 3.910 4.724 -3.292 1.00 45.32 H new ATOM 0 HE1 TRP A 56 5.444 4.834 -1.218 1.00 62.12 H new ATOM 0 HE3 TRP A 56 3.165 -0.017 -1.524 1.00 44.43 H new ATOM 0 HZ2 TRP A 56 6.250 3.106 0.832 1.00 51.11 H new ATOM 0 HZ3 TRP A 56 4.383 -0.725 0.490 1.00 23.23 H new ATOM 0 HH2 TRP A 56 5.907 0.816 1.652 1.00 12.13 H new ATOM 957 N PHE A 57 3.122 -0.731 -4.146 1.00 23.22 N ATOM 958 CA PHE A 57 3.687 -2.037 -3.749 1.00 43.24 C ATOM 959 C PHE A 57 4.485 -2.696 -4.897 1.00 40.33 C ATOM 960 O PHE A 57 5.562 -3.197 -4.658 1.00 14.43 O ATOM 961 CB PHE A 57 2.569 -2.989 -3.231 1.00 11.03 C ATOM 962 CG PHE A 57 2.081 -2.644 -1.826 1.00 61.45 C ATOM 963 CD1 PHE A 57 1.065 -1.722 -1.622 1.00 60.42 C ATOM 964 CD2 PHE A 57 2.669 -3.224 -0.707 1.00 65.32 C ATOM 965 CE1 PHE A 57 0.650 -1.390 -0.352 1.00 5.10 C ATOM 966 CE2 PHE A 57 2.257 -2.887 0.567 1.00 33.24 C ATOM 967 CZ PHE A 57 1.248 -1.970 0.743 1.00 72.34 C ATOM 0 H PHE A 57 2.105 -0.686 -4.079 1.00 23.22 H new ATOM 0 HA PHE A 57 4.388 -1.853 -2.935 1.00 43.24 H new ATOM 0 HB2 PHE A 57 1.725 -2.954 -3.920 1.00 11.03 H new ATOM 0 HB3 PHE A 57 2.943 -4.013 -3.236 1.00 11.03 H new ATOM 0 HD1 PHE A 57 0.591 -1.257 -2.474 1.00 60.42 H new ATOM 0 HD2 PHE A 57 3.459 -3.949 -0.836 1.00 65.32 H new ATOM 0 HE1 PHE A 57 -0.146 -0.673 -0.215 1.00 5.10 H new ATOM 0 HE2 PHE A 57 2.727 -3.344 1.425 1.00 33.24 H new ATOM 0 HZ PHE A 57 0.925 -1.705 1.739 1.00 72.34 H new ATOM 977 N GLN A 58 3.981 -2.622 -6.140 1.00 71.25 N ATOM 978 CA GLN A 58 4.603 -3.285 -7.316 1.00 40.11 C ATOM 979 C GLN A 58 5.990 -2.706 -7.671 1.00 35.03 C ATOM 980 O GLN A 58 6.923 -3.476 -7.925 1.00 35.25 O ATOM 981 CB GLN A 58 3.658 -3.224 -8.551 1.00 24.13 C ATOM 982 CG GLN A 58 2.520 -4.267 -8.534 1.00 71.32 C ATOM 983 CD GLN A 58 3.026 -5.705 -8.683 1.00 24.13 C ATOM 984 OE1 GLN A 58 3.321 -6.384 -7.711 1.00 2.33 O ATOM 985 NE2 GLN A 58 3.153 -6.167 -9.911 1.00 73.41 N ATOM 0 H GLN A 58 3.132 -2.103 -6.366 1.00 71.25 H new ATOM 0 HA GLN A 58 4.757 -4.327 -7.035 1.00 40.11 H new ATOM 0 HB2 GLN A 58 3.220 -2.227 -8.610 1.00 24.13 H new ATOM 0 HB3 GLN A 58 4.251 -3.366 -9.455 1.00 24.13 H new ATOM 0 HG2 GLN A 58 1.966 -4.177 -7.600 1.00 71.32 H new ATOM 0 HG3 GLN A 58 1.821 -4.048 -9.341 1.00 71.32 H new ATOM 0 HE21 GLN A 58 2.900 -5.580 -10.706 1.00 73.41 H new ATOM 0 HE22 GLN A 58 3.505 -7.112 -10.067 1.00 73.41 H new ATOM 994 N ASN A 59 6.134 -1.359 -7.689 1.00 32.21 N ATOM 995 CA ASN A 59 7.448 -0.741 -7.983 1.00 1.13 C ATOM 996 C ASN A 59 8.428 -0.992 -6.809 1.00 21.41 C ATOM 997 O ASN A 59 9.617 -1.202 -7.030 1.00 0.31 O ATOM 998 CB ASN A 59 7.339 0.772 -8.332 1.00 25.34 C ATOM 999 CG ASN A 59 7.102 1.698 -7.141 1.00 40.03 C ATOM 1000 OD1 ASN A 59 8.045 2.136 -6.489 1.00 30.30 O ATOM 1001 ND2 ASN A 59 5.860 2.025 -6.858 1.00 60.33 N ATOM 0 H ASN A 59 5.380 -0.696 -7.509 1.00 32.21 H new ATOM 0 HA ASN A 59 7.845 -1.221 -8.877 1.00 1.13 H new ATOM 0 HB2 ASN A 59 8.256 1.080 -8.834 1.00 25.34 H new ATOM 0 HB3 ASN A 59 6.525 0.907 -9.044 1.00 25.34 H new ATOM 0 HD21 ASN A 59 5.663 2.656 -6.081 1.00 60.33 H new ATOM 0 HD22 ASN A 59 5.094 1.647 -7.415 1.00 60.33 H new ATOM 1008 N ARG A 60 7.892 -1.009 -5.563 1.00 63.22 N ATOM 1009 CA ARG A 60 8.675 -1.377 -4.358 1.00 50.42 C ATOM 1010 C ARG A 60 9.212 -2.830 -4.471 1.00 63.51 C ATOM 1011 O ARG A 60 10.395 -3.045 -4.267 1.00 44.43 O ATOM 1012 CB ARG A 60 7.838 -1.181 -3.043 1.00 64.34 C ATOM 1013 CG ARG A 60 8.000 0.204 -2.356 1.00 70.50 C ATOM 1014 CD ARG A 60 7.638 1.392 -3.268 1.00 12.55 C ATOM 1015 NE ARG A 60 7.815 2.696 -2.606 1.00 42.54 N ATOM 1016 CZ ARG A 60 7.688 3.871 -3.190 1.00 43.30 C ATOM 1017 NH1 ARG A 60 7.393 3.980 -4.447 1.00 41.10 N ATOM 1018 NH2 ARG A 60 7.860 4.943 -2.492 1.00 63.02 N ATOM 0 H ARG A 60 6.920 -0.772 -5.367 1.00 63.22 H new ATOM 0 HA ARG A 60 9.530 -0.704 -4.301 1.00 50.42 H new ATOM 0 HB2 ARG A 60 6.784 -1.332 -3.276 1.00 64.34 H new ATOM 0 HB3 ARG A 60 8.121 -1.957 -2.332 1.00 64.34 H new ATOM 0 HG2 ARG A 60 7.371 0.235 -1.467 1.00 70.50 H new ATOM 0 HG3 ARG A 60 9.031 0.315 -2.021 1.00 70.50 H new ATOM 0 HD2 ARG A 60 8.258 1.358 -4.164 1.00 12.55 H new ATOM 0 HD3 ARG A 60 6.602 1.292 -3.593 1.00 12.55 H new ATOM 0 HE ARG A 60 8.055 2.689 -1.615 1.00 42.54 H new ATOM 0 HH11 ARG A 60 7.252 3.143 -5.012 1.00 41.10 H new ATOM 0 HH12 ARG A 60 7.301 4.903 -4.871 1.00 41.10 H new ATOM 0 HH21 ARG A 60 8.091 4.875 -1.501 1.00 63.02 H new ATOM 0 HH22 ARG A 60 7.765 5.859 -2.932 1.00 63.02 H new ATOM 1032 N ARG A 61 8.339 -3.788 -4.864 1.00 35.30 N ATOM 1033 CA ARG A 61 8.686 -5.237 -5.010 1.00 25.14 C ATOM 1034 C ARG A 61 9.708 -5.467 -6.142 1.00 41.12 C ATOM 1035 O ARG A 61 10.617 -6.282 -6.006 1.00 54.15 O ATOM 1036 CB ARG A 61 7.416 -6.083 -5.322 1.00 0.14 C ATOM 1037 CG ARG A 61 6.334 -6.099 -4.217 1.00 41.20 C ATOM 1038 CD ARG A 61 4.986 -6.642 -4.743 1.00 23.34 C ATOM 1039 NE ARG A 61 3.889 -6.457 -3.785 1.00 74.33 N ATOM 1040 CZ ARG A 61 2.609 -6.570 -4.055 1.00 51.20 C ATOM 1041 NH1 ARG A 61 2.181 -6.872 -5.240 1.00 62.33 N ATOM 1042 NH2 ARG A 61 1.760 -6.384 -3.109 1.00 73.01 N ATOM 0 H ARG A 61 7.366 -3.584 -5.092 1.00 35.30 H new ATOM 0 HA ARG A 61 9.122 -5.550 -4.061 1.00 25.14 H new ATOM 0 HB2 ARG A 61 6.966 -5.705 -6.240 1.00 0.14 H new ATOM 0 HB3 ARG A 61 7.725 -7.110 -5.518 1.00 0.14 H new ATOM 0 HG2 ARG A 61 6.674 -6.715 -3.384 1.00 41.20 H new ATOM 0 HG3 ARG A 61 6.194 -5.089 -3.831 1.00 41.20 H new ATOM 0 HD2 ARG A 61 4.736 -6.139 -5.677 1.00 23.34 H new ATOM 0 HD3 ARG A 61 5.090 -7.703 -4.970 1.00 23.34 H new ATOM 0 HE ARG A 61 4.143 -6.220 -2.826 1.00 74.33 H new ATOM 0 HH11 ARG A 61 2.846 -7.030 -5.997 1.00 62.33 H new ATOM 0 HH12 ARG A 61 1.179 -6.952 -5.415 1.00 62.33 H new ATOM 0 HH21 ARG A 61 2.085 -6.153 -2.170 1.00 73.01 H new ATOM 0 HH22 ARG A 61 0.761 -6.467 -3.297 1.00 73.01 H new ATOM 1056 N ALA A 62 9.518 -4.746 -7.262 1.00 34.22 N ATOM 1057 CA ALA A 62 10.377 -4.868 -8.460 1.00 51.54 C ATOM 1058 C ALA A 62 11.814 -4.372 -8.186 1.00 42.13 C ATOM 1059 O ALA A 62 12.776 -4.948 -8.673 1.00 12.24 O ATOM 1060 CB ALA A 62 9.748 -4.099 -9.633 1.00 12.25 C ATOM 0 H ALA A 62 8.767 -4.063 -7.365 1.00 34.22 H new ATOM 0 HA ALA A 62 10.447 -5.924 -8.722 1.00 51.54 H new ATOM 0 HB1 ALA A 62 10.385 -4.192 -10.513 1.00 12.25 H new ATOM 0 HB2 ALA A 62 8.763 -4.512 -9.853 1.00 12.25 H new ATOM 0 HB3 ALA A 62 9.649 -3.047 -9.367 1.00 12.25 H new