USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=9 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= 0.159 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -160:sc= 1.4 USER MOD Single : A 20 GLN : amide:sc= -1.99 K(o=-2,f=-4.5!) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0.67 (180deg=0.625) USER MOD Single : A 29 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.15) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -109:sc= 0.0315 USER MOD Single : A 32 HIS : no HD1:sc= -0.0998 X(o=-0.1,f=0) 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 X(o=0,f=-0.0077) USER MOD Single : A 44 MET CE :methyl 180:sc= -0.414 (180deg=-0.414) USER MOD Single : A 46 THR OG1 : rot -73:sc= 0.975 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.137 K(o=-0.14,f=-11!) USER MOD Single : A 58 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.079) USER MOD Single : A 59 ASN : amide:sc= 0.675 K(o=0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 261 N PHE A 16 1.885 10.354 -4.265 1.00 4.02 N ATOM 262 CA PHE A 16 1.700 9.937 -2.856 1.00 21.22 C ATOM 263 C PHE A 16 2.246 11.004 -1.880 1.00 35.54 C ATOM 264 O PHE A 16 3.369 11.489 -2.058 1.00 53.13 O ATOM 265 CB PHE A 16 2.419 8.584 -2.603 1.00 61.34 C ATOM 266 CG PHE A 16 2.036 7.477 -3.587 1.00 23.34 C ATOM 267 CD1 PHE A 16 0.812 6.824 -3.484 1.00 23.13 C ATOM 268 CD2 PHE A 16 2.901 7.089 -4.615 1.00 42.23 C ATOM 269 CE1 PHE A 16 0.460 5.824 -4.372 1.00 2.31 C ATOM 270 CE2 PHE A 16 2.548 6.086 -5.503 1.00 54.33 C ATOM 271 CZ PHE A 16 1.325 5.454 -5.381 1.00 5.03 C ATOM 0 HA PHE A 16 0.631 9.823 -2.678 1.00 21.22 H new ATOM 0 HB2 PHE A 16 3.496 8.743 -2.653 1.00 61.34 H new ATOM 0 HB3 PHE A 16 2.193 8.249 -1.591 1.00 61.34 H new ATOM 0 HD1 PHE A 16 0.126 7.102 -2.698 1.00 23.13 H new ATOM 0 HD2 PHE A 16 3.858 7.578 -4.718 1.00 42.23 H new ATOM 0 HE1 PHE A 16 -0.496 5.331 -4.275 1.00 2.31 H new ATOM 0 HE2 PHE A 16 3.229 5.798 -6.291 1.00 54.33 H new ATOM 0 HZ PHE A 16 1.047 4.673 -6.073 1.00 5.03 H new ATOM 281 N THR A 17 1.457 11.365 -0.849 1.00 1.41 N ATOM 282 CA THR A 17 1.923 12.282 0.228 1.00 23.24 C ATOM 283 C THR A 17 2.869 11.533 1.202 1.00 43.30 C ATOM 284 O THR A 17 2.968 10.299 1.152 1.00 42.14 O ATOM 285 CB THR A 17 0.731 12.907 1.045 1.00 61.13 C ATOM 286 OG1 THR A 17 0.130 11.921 1.912 1.00 2.32 O ATOM 287 CG2 THR A 17 -0.352 13.493 0.116 1.00 30.22 C ATOM 0 H THR A 17 0.497 11.041 -0.733 1.00 1.41 H new ATOM 0 HA THR A 17 2.456 13.096 -0.263 1.00 23.24 H new ATOM 0 HB THR A 17 1.148 13.715 1.646 1.00 61.13 H new ATOM 0 HG1 THR A 17 -0.607 12.330 2.412 1.00 2.32 H new ATOM 0 HG21 THR A 17 -1.158 13.915 0.717 1.00 30.22 H new ATOM 0 HG22 THR A 17 0.085 14.275 -0.505 1.00 30.22 H new ATOM 0 HG23 THR A 17 -0.750 12.704 -0.522 1.00 30.22 H new ATOM 295 N SER A 18 3.550 12.274 2.095 1.00 21.44 N ATOM 296 CA SER A 18 4.443 11.666 3.115 1.00 62.21 C ATOM 297 C SER A 18 3.635 10.799 4.112 1.00 61.40 C ATOM 298 O SER A 18 4.071 9.709 4.479 1.00 43.03 O ATOM 299 CB SER A 18 5.240 12.759 3.858 1.00 13.14 C ATOM 300 OG SER A 18 6.092 13.469 2.967 1.00 2.10 O ATOM 0 H SER A 18 3.503 13.292 2.136 1.00 21.44 H new ATOM 0 HA SER A 18 5.151 11.015 2.603 1.00 62.21 H new ATOM 0 HB2 SER A 18 4.550 13.454 4.337 1.00 13.14 H new ATOM 0 HB3 SER A 18 5.835 12.304 4.650 1.00 13.14 H new ATOM 0 HG SER A 18 6.584 14.156 3.463 1.00 2.10 H new ATOM 306 N TYR A 19 2.439 11.290 4.509 1.00 72.42 N ATOM 307 CA TYR A 19 1.468 10.527 5.341 1.00 33.22 C ATOM 308 C TYR A 19 1.063 9.186 4.671 1.00 62.23 C ATOM 309 O TYR A 19 0.999 8.137 5.329 1.00 70.34 O ATOM 310 CB TYR A 19 0.207 11.402 5.617 1.00 65.10 C ATOM 311 CG TYR A 19 -1.025 10.623 6.110 1.00 2.21 C ATOM 312 CD1 TYR A 19 -1.059 10.041 7.383 1.00 1.34 C ATOM 313 CD2 TYR A 19 -2.145 10.444 5.288 1.00 31.12 C ATOM 314 CE1 TYR A 19 -2.159 9.322 7.811 1.00 65.35 C ATOM 315 CE2 TYR A 19 -3.241 9.725 5.713 1.00 61.55 C ATOM 316 CZ TYR A 19 -3.245 9.169 6.973 1.00 51.10 C ATOM 317 OH TYR A 19 -4.341 8.456 7.398 1.00 74.11 O ATOM 0 H TYR A 19 2.116 12.226 4.264 1.00 72.42 H new ATOM 0 HA TYR A 19 1.953 10.283 6.286 1.00 33.22 H new ATOM 0 HB2 TYR A 19 0.462 12.158 6.360 1.00 65.10 H new ATOM 0 HB3 TYR A 19 -0.058 11.931 4.702 1.00 65.10 H new ATOM 0 HD1 TYR A 19 -0.211 10.156 8.042 1.00 1.34 H new ATOM 0 HD2 TYR A 19 -2.150 10.879 4.300 1.00 31.12 H new ATOM 0 HE1 TYR A 19 -2.169 8.882 8.797 1.00 65.35 H new ATOM 0 HE2 TYR A 19 -4.093 9.598 5.061 1.00 61.55 H new ATOM 0 HH TYR A 19 -4.865 8.168 6.622 1.00 74.11 H new ATOM 327 N GLN A 20 0.756 9.259 3.370 1.00 14.31 N ATOM 328 CA GLN A 20 0.389 8.081 2.563 1.00 62.14 C ATOM 329 C GLN A 20 1.516 7.031 2.555 1.00 44.23 C ATOM 330 O GLN A 20 1.260 5.860 2.803 1.00 10.42 O ATOM 331 CB GLN A 20 -0.004 8.516 1.126 1.00 74.15 C ATOM 332 CG GLN A 20 -1.376 9.215 1.057 1.00 65.50 C ATOM 333 CD GLN A 20 -1.705 9.823 -0.302 1.00 5.41 C ATOM 334 OE1 GLN A 20 -1.188 9.410 -1.333 1.00 53.20 O ATOM 335 NE2 GLN A 20 -2.600 10.786 -0.313 1.00 4.22 N ATOM 0 H GLN A 20 0.754 10.133 2.845 1.00 14.31 H new ATOM 0 HA GLN A 20 -0.479 7.607 3.021 1.00 62.14 H new ATOM 0 HB2 GLN A 20 0.759 9.189 0.735 1.00 74.15 H new ATOM 0 HB3 GLN A 20 -0.017 7.639 0.479 1.00 74.15 H new ATOM 0 HG2 GLN A 20 -2.151 8.494 1.316 1.00 65.50 H new ATOM 0 HG3 GLN A 20 -1.408 10.002 1.811 1.00 65.50 H new ATOM 0 HE21 GLN A 20 -3.013 11.109 0.562 1.00 4.22 H new ATOM 0 HE22 GLN A 20 -2.882 11.210 -1.197 1.00 4.22 H new ATOM 344 N LEU A 21 2.767 7.482 2.331 1.00 11.13 N ATOM 345 CA LEU A 21 3.958 6.595 2.351 1.00 25.13 C ATOM 346 C LEU A 21 4.172 5.916 3.729 1.00 63.24 C ATOM 347 O LEU A 21 4.686 4.801 3.783 1.00 34.32 O ATOM 348 CB LEU A 21 5.238 7.375 1.961 1.00 23.13 C ATOM 349 CG LEU A 21 5.278 7.970 0.522 1.00 44.34 C ATOM 350 CD1 LEU A 21 6.614 8.697 0.268 1.00 24.30 C ATOM 351 CD2 LEU A 21 5.018 6.884 -0.544 1.00 53.42 C ATOM 0 H LEU A 21 2.984 8.459 2.133 1.00 11.13 H new ATOM 0 HA LEU A 21 3.766 5.813 1.616 1.00 25.13 H new ATOM 0 HB2 LEU A 21 5.370 8.191 2.671 1.00 23.13 H new ATOM 0 HB3 LEU A 21 6.093 6.709 2.079 1.00 23.13 H new ATOM 0 HG LEU A 21 4.475 8.703 0.440 1.00 44.34 H new ATOM 0 HD11 LEU A 21 6.620 9.105 -0.743 1.00 24.30 H new ATOM 0 HD12 LEU A 21 6.729 9.508 0.987 1.00 24.30 H new ATOM 0 HD13 LEU A 21 7.438 7.993 0.380 1.00 24.30 H new ATOM 0 HD21 LEU A 21 5.053 7.333 -1.537 1.00 53.42 H new ATOM 0 HD22 LEU A 21 5.782 6.110 -0.469 1.00 53.42 H new ATOM 0 HD23 LEU A 21 4.035 6.441 -0.380 1.00 53.42 H new ATOM 363 N GLU A 22 3.789 6.603 4.832 1.00 22.33 N ATOM 364 CA GLU A 22 3.871 6.037 6.205 1.00 2.00 C ATOM 365 C GLU A 22 3.014 4.756 6.335 1.00 42.43 C ATOM 366 O GLU A 22 3.509 3.717 6.772 1.00 12.32 O ATOM 367 CB GLU A 22 3.428 7.091 7.262 1.00 41.33 C ATOM 368 CG GLU A 22 4.361 8.315 7.362 1.00 2.24 C ATOM 369 CD GLU A 22 3.897 9.390 8.361 1.00 63.14 C ATOM 370 OE1 GLU A 22 3.835 9.093 9.572 1.00 45.32 O ATOM 371 OE2 GLU A 22 3.637 10.544 7.954 1.00 4.14 O ATOM 0 H GLU A 22 3.419 7.553 4.800 1.00 22.33 H new ATOM 0 HA GLU A 22 4.911 5.770 6.391 1.00 2.00 H new ATOM 0 HB2 GLU A 22 2.422 7.433 7.018 1.00 41.33 H new ATOM 0 HB3 GLU A 22 3.373 6.609 8.238 1.00 41.33 H new ATOM 0 HG2 GLU A 22 5.356 7.975 7.649 1.00 2.24 H new ATOM 0 HG3 GLU A 22 4.452 8.769 6.375 1.00 2.24 H new ATOM 378 N GLU A 23 1.742 4.843 5.912 1.00 25.12 N ATOM 379 CA GLU A 23 0.791 3.706 5.963 1.00 4.23 C ATOM 380 C GLU A 23 1.069 2.639 4.870 1.00 62.41 C ATOM 381 O GLU A 23 0.873 1.449 5.111 1.00 52.20 O ATOM 382 CB GLU A 23 -0.665 4.226 5.859 1.00 4.13 C ATOM 383 CG GLU A 23 -1.152 5.018 7.091 1.00 1.53 C ATOM 384 CD GLU A 23 -1.188 4.166 8.380 1.00 23.43 C ATOM 385 OE1 GLU A 23 -2.034 3.246 8.474 1.00 33.10 O ATOM 386 OE2 GLU A 23 -0.383 4.409 9.307 1.00 5.32 O ATOM 0 H GLU A 23 1.340 5.697 5.526 1.00 25.12 H new ATOM 0 HA GLU A 23 0.933 3.211 6.924 1.00 4.23 H new ATOM 0 HB2 GLU A 23 -0.748 4.862 4.978 1.00 4.13 H new ATOM 0 HB3 GLU A 23 -1.330 3.377 5.703 1.00 4.13 H new ATOM 0 HG2 GLU A 23 -0.498 5.876 7.247 1.00 1.53 H new ATOM 0 HG3 GLU A 23 -2.150 5.410 6.893 1.00 1.53 H new ATOM 393 N LEU A 24 1.513 3.077 3.674 1.00 71.33 N ATOM 394 CA LEU A 24 1.872 2.166 2.550 1.00 44.00 C ATOM 395 C LEU A 24 3.053 1.235 2.947 1.00 13.32 C ATOM 396 O LEU A 24 2.982 0.012 2.766 1.00 45.42 O ATOM 397 CB LEU A 24 2.219 2.991 1.274 1.00 54.45 C ATOM 398 CG LEU A 24 1.015 3.689 0.546 1.00 32.31 C ATOM 399 CD1 LEU A 24 1.502 4.728 -0.490 1.00 15.31 C ATOM 400 CD2 LEU A 24 0.082 2.654 -0.118 1.00 55.31 C ATOM 0 H LEU A 24 1.635 4.065 3.453 1.00 71.33 H new ATOM 0 HA LEU A 24 1.010 1.536 2.328 1.00 44.00 H new ATOM 0 HB2 LEU A 24 2.943 3.758 1.549 1.00 54.45 H new ATOM 0 HB3 LEU A 24 2.711 2.329 0.562 1.00 54.45 H new ATOM 0 HG LEU A 24 0.444 4.219 1.308 1.00 32.31 H new ATOM 0 HD11 LEU A 24 0.642 5.190 -0.974 1.00 15.31 H new ATOM 0 HD12 LEU A 24 2.091 5.495 0.013 1.00 15.31 H new ATOM 0 HD13 LEU A 24 2.117 4.232 -1.241 1.00 15.31 H new ATOM 0 HD21 LEU A 24 -0.741 3.170 -0.613 1.00 55.31 H new ATOM 0 HD22 LEU A 24 0.643 2.077 -0.853 1.00 55.31 H new ATOM 0 HD23 LEU A 24 -0.316 1.982 0.643 1.00 55.31 H new ATOM 412 N GLU A 25 4.137 1.842 3.484 1.00 15.12 N ATOM 413 CA GLU A 25 5.284 1.103 4.065 1.00 20.44 C ATOM 414 C GLU A 25 4.844 0.223 5.254 1.00 41.23 C ATOM 415 O GLU A 25 5.231 -0.930 5.340 1.00 13.21 O ATOM 416 CB GLU A 25 6.403 2.084 4.524 1.00 23.52 C ATOM 417 CG GLU A 25 7.222 2.733 3.387 1.00 32.22 C ATOM 418 CD GLU A 25 8.133 1.760 2.599 1.00 63.43 C ATOM 419 OE1 GLU A 25 8.498 0.670 3.117 1.00 22.03 O ATOM 420 OE2 GLU A 25 8.510 2.091 1.457 1.00 53.00 O ATOM 0 H GLU A 25 4.242 2.856 3.527 1.00 15.12 H new ATOM 0 HA GLU A 25 5.679 0.455 3.283 1.00 20.44 H new ATOM 0 HB2 GLU A 25 5.947 2.876 5.118 1.00 23.52 H new ATOM 0 HB3 GLU A 25 7.087 1.546 5.181 1.00 23.52 H new ATOM 0 HG2 GLU A 25 6.533 3.208 2.689 1.00 32.22 H new ATOM 0 HG3 GLU A 25 7.841 3.524 3.811 1.00 32.22 H new ATOM 427 N LYS A 26 4.021 0.789 6.153 1.00 63.31 N ATOM 428 CA LYS A 26 3.505 0.088 7.361 1.00 3.30 C ATOM 429 C LYS A 26 2.756 -1.230 7.010 1.00 44.00 C ATOM 430 O LYS A 26 2.921 -2.246 7.693 1.00 75.42 O ATOM 431 CB LYS A 26 2.611 1.073 8.159 1.00 42.52 C ATOM 432 CG LYS A 26 1.821 0.487 9.351 1.00 31.20 C ATOM 433 CD LYS A 26 1.284 1.594 10.306 1.00 13.42 C ATOM 434 CE LYS A 26 0.048 1.164 11.112 1.00 62.33 C ATOM 435 NZ LYS A 26 -1.163 1.091 10.251 1.00 20.31 N ATOM 0 H LYS A 26 3.688 1.750 6.070 1.00 63.31 H new ATOM 0 HA LYS A 26 4.348 -0.219 7.980 1.00 3.30 H new ATOM 0 HB2 LYS A 26 3.243 1.878 8.533 1.00 42.52 H new ATOM 0 HB3 LYS A 26 1.899 1.522 7.467 1.00 42.52 H new ATOM 0 HG2 LYS A 26 0.985 -0.102 8.975 1.00 31.20 H new ATOM 0 HG3 LYS A 26 2.464 -0.192 9.911 1.00 31.20 H new ATOM 0 HD2 LYS A 26 2.076 1.882 10.997 1.00 13.42 H new ATOM 0 HD3 LYS A 26 1.036 2.479 9.720 1.00 13.42 H new ATOM 0 HE2 LYS A 26 0.230 0.192 11.569 1.00 62.33 H new ATOM 0 HE3 LYS A 26 -0.123 1.871 11.924 1.00 62.33 H new ATOM 0 HZ1 LYS A 26 -2.002 0.932 10.845 1.00 20.31 H new ATOM 0 HZ2 LYS A 26 -1.272 1.984 9.729 1.00 20.31 H new ATOM 0 HZ3 LYS A 26 -1.062 0.306 9.576 1.00 20.31 H new ATOM 449 N VAL A 27 1.962 -1.205 5.926 1.00 1.04 N ATOM 450 CA VAL A 27 1.294 -2.417 5.382 1.00 14.32 C ATOM 451 C VAL A 27 2.326 -3.371 4.717 1.00 53.14 C ATOM 452 O VAL A 27 2.239 -4.585 4.889 1.00 12.54 O ATOM 453 CB VAL A 27 0.149 -2.037 4.364 1.00 34.21 C ATOM 454 CG1 VAL A 27 -0.456 -3.285 3.664 1.00 33.32 C ATOM 455 CG2 VAL A 27 -0.964 -1.228 5.078 1.00 35.43 C ATOM 0 H VAL A 27 1.761 -0.355 5.400 1.00 1.04 H new ATOM 0 HA VAL A 27 0.834 -2.941 6.220 1.00 14.32 H new ATOM 0 HB VAL A 27 0.601 -1.419 3.589 1.00 34.21 H new ATOM 0 HG11 VAL A 27 -1.239 -2.971 2.974 1.00 33.32 H new ATOM 0 HG12 VAL A 27 0.326 -3.808 3.113 1.00 33.32 H new ATOM 0 HG13 VAL A 27 -0.880 -3.953 4.414 1.00 33.32 H new ATOM 0 HG21 VAL A 27 -1.746 -0.974 4.362 1.00 35.43 H new ATOM 0 HG22 VAL A 27 -1.390 -1.827 5.883 1.00 35.43 H new ATOM 0 HG23 VAL A 27 -0.540 -0.313 5.492 1.00 35.43 H new ATOM 465 N PHE A 28 3.314 -2.798 4.000 1.00 52.34 N ATOM 466 CA PHE A 28 4.380 -3.570 3.305 1.00 60.23 C ATOM 467 C PHE A 28 5.268 -4.369 4.297 1.00 15.31 C ATOM 468 O PHE A 28 5.668 -5.496 4.008 1.00 62.33 O ATOM 469 CB PHE A 28 5.266 -2.619 2.446 1.00 63.23 C ATOM 470 CG PHE A 28 6.345 -3.334 1.621 1.00 62.34 C ATOM 471 CD1 PHE A 28 6.012 -4.023 0.452 1.00 44.52 C ATOM 472 CD2 PHE A 28 7.689 -3.333 2.014 1.00 10.53 C ATOM 473 CE1 PHE A 28 6.977 -4.682 -0.291 1.00 34.30 C ATOM 474 CE2 PHE A 28 8.653 -3.991 1.268 1.00 3.10 C ATOM 475 CZ PHE A 28 8.297 -4.667 0.117 1.00 2.21 C ATOM 0 H PHE A 28 3.401 -1.788 3.883 1.00 52.34 H new ATOM 0 HA PHE A 28 3.883 -4.290 2.655 1.00 60.23 H new ATOM 0 HB2 PHE A 28 4.623 -2.055 1.770 1.00 63.23 H new ATOM 0 HB3 PHE A 28 5.748 -1.897 3.105 1.00 63.23 H new ATOM 0 HD1 PHE A 28 4.984 -4.042 0.122 1.00 44.52 H new ATOM 0 HD2 PHE A 28 7.979 -2.811 2.914 1.00 10.53 H new ATOM 0 HE1 PHE A 28 6.697 -5.209 -1.191 1.00 34.30 H new ATOM 0 HE2 PHE A 28 9.685 -3.976 1.587 1.00 3.10 H new ATOM 0 HZ PHE A 28 9.049 -5.182 -0.462 1.00 2.21 H new ATOM 485 N GLN A 29 5.577 -3.771 5.460 1.00 52.51 N ATOM 486 CA GLN A 29 6.488 -4.381 6.459 1.00 71.10 C ATOM 487 C GLN A 29 5.789 -5.510 7.249 1.00 65.43 C ATOM 488 O GLN A 29 6.443 -6.458 7.697 1.00 74.11 O ATOM 489 CB GLN A 29 7.047 -3.293 7.416 1.00 3.43 C ATOM 490 CG GLN A 29 7.775 -2.128 6.702 1.00 73.42 C ATOM 491 CD GLN A 29 8.938 -2.559 5.797 1.00 64.44 C ATOM 492 OE1 GLN A 29 9.633 -3.536 6.065 1.00 34.23 O ATOM 493 NE2 GLN A 29 9.158 -1.834 4.712 1.00 21.13 N ATOM 0 H GLN A 29 5.210 -2.861 5.738 1.00 52.51 H new ATOM 0 HA GLN A 29 7.323 -4.831 5.923 1.00 71.10 H new ATOM 0 HB2 GLN A 29 6.224 -2.886 8.004 1.00 3.43 H new ATOM 0 HB3 GLN A 29 7.738 -3.762 8.117 1.00 3.43 H new ATOM 0 HG2 GLN A 29 7.050 -1.577 6.102 1.00 73.42 H new ATOM 0 HG3 GLN A 29 8.155 -1.438 7.456 1.00 73.42 H new ATOM 0 HE21 GLN A 29 8.568 -1.027 4.510 1.00 21.13 H new ATOM 0 HE22 GLN A 29 9.918 -2.082 4.078 1.00 21.13 H new ATOM 502 N LYS A 30 4.459 -5.387 7.430 1.00 21.13 N ATOM 503 CA LYS A 30 3.619 -6.482 7.983 1.00 72.20 C ATOM 504 C LYS A 30 3.475 -7.625 6.948 1.00 32.23 C ATOM 505 O LYS A 30 3.687 -8.804 7.256 1.00 44.53 O ATOM 506 CB LYS A 30 2.206 -5.958 8.361 1.00 15.01 C ATOM 507 CG LYS A 30 2.182 -4.861 9.443 1.00 75.01 C ATOM 508 CD LYS A 30 0.743 -4.375 9.748 1.00 41.43 C ATOM 509 CE LYS A 30 0.696 -3.277 10.827 1.00 62.30 C ATOM 510 NZ LYS A 30 -0.699 -2.878 11.140 1.00 62.15 N ATOM 0 H LYS A 30 3.937 -4.541 7.202 1.00 21.13 H new ATOM 0 HA LYS A 30 4.111 -6.860 8.879 1.00 72.20 H new ATOM 0 HB2 LYS A 30 1.727 -5.570 7.462 1.00 15.01 H new ATOM 0 HB3 LYS A 30 1.604 -6.799 8.705 1.00 15.01 H new ATOM 0 HG2 LYS A 30 2.636 -5.244 10.357 1.00 75.01 H new ATOM 0 HG3 LYS A 30 2.788 -4.016 9.116 1.00 75.01 H new ATOM 0 HD2 LYS A 30 0.291 -3.996 8.831 1.00 41.43 H new ATOM 0 HD3 LYS A 30 0.140 -5.223 10.073 1.00 41.43 H new ATOM 0 HE2 LYS A 30 1.185 -3.635 11.733 1.00 62.30 H new ATOM 0 HE3 LYS A 30 1.256 -2.406 10.486 1.00 62.30 H new ATOM 0 HZ1 LYS A 30 -0.693 -2.137 11.870 1.00 62.15 H new ATOM 0 HZ2 LYS A 30 -1.157 -2.513 10.280 1.00 62.15 H new ATOM 0 HZ3 LYS A 30 -1.226 -3.704 11.489 1.00 62.15 H new ATOM 524 N THR A 31 3.112 -7.229 5.714 1.00 52.42 N ATOM 525 CA THR A 31 2.840 -8.146 4.591 1.00 2.13 C ATOM 526 C THR A 31 3.278 -7.494 3.253 1.00 14.10 C ATOM 527 O THR A 31 2.677 -6.521 2.786 1.00 52.42 O ATOM 528 CB THR A 31 1.319 -8.569 4.544 1.00 64.24 C ATOM 529 OG1 THR A 31 1.050 -9.364 3.372 1.00 2.12 O ATOM 530 CG2 THR A 31 0.343 -7.368 4.598 1.00 73.22 C ATOM 0 H THR A 31 2.998 -6.247 5.465 1.00 52.42 H new ATOM 0 HA THR A 31 3.422 -9.054 4.745 1.00 2.13 H new ATOM 0 HB THR A 31 1.143 -9.160 5.443 1.00 64.24 H new ATOM 0 HG1 THR A 31 0.513 -8.843 2.739 1.00 2.12 H new ATOM 0 HG21 THR A 31 -0.684 -7.732 4.562 1.00 73.22 H new ATOM 0 HG22 THR A 31 0.499 -6.814 5.523 1.00 73.22 H new ATOM 0 HG23 THR A 31 0.526 -6.712 3.747 1.00 73.22 H new ATOM 538 N HIS A 32 4.368 -8.029 2.659 1.00 5.11 N ATOM 539 CA HIS A 32 4.934 -7.520 1.378 1.00 65.12 C ATOM 540 C HIS A 32 3.914 -7.619 0.220 1.00 61.00 C ATOM 541 O HIS A 32 3.951 -6.831 -0.732 1.00 2.54 O ATOM 542 CB HIS A 32 6.236 -8.287 1.010 1.00 41.14 C ATOM 543 CG HIS A 32 7.405 -8.030 1.930 1.00 10.23 C ATOM 544 ND1 HIS A 32 8.710 -7.967 1.484 1.00 51.23 N ATOM 545 CD2 HIS A 32 7.470 -7.839 3.269 1.00 5.02 C ATOM 546 CE1 HIS A 32 9.509 -7.739 2.502 1.00 40.41 C ATOM 547 NE2 HIS A 32 8.787 -7.657 3.594 1.00 71.44 N ATOM 0 H HIS A 32 4.881 -8.821 3.047 1.00 5.11 H new ATOM 0 HA HIS A 32 5.171 -6.466 1.525 1.00 65.12 H new ATOM 0 HB2 HIS A 32 6.022 -9.356 1.007 1.00 41.14 H new ATOM 0 HB3 HIS A 32 6.525 -8.017 -0.006 1.00 41.14 H new ATOM 0 HD2 HIS A 32 6.636 -7.832 3.955 1.00 5.02 H new ATOM 0 HE1 HIS A 32 10.583 -7.636 2.448 1.00 40.41 H new ATOM 0 HE2 HIS A 32 9.148 -7.486 4.532 1.00 71.44 H new ATOM 556 N TYR A 33 3.006 -8.601 0.333 1.00 62.40 N ATOM 557 CA TYR A 33 1.938 -8.853 -0.649 1.00 34.20 C ATOM 558 C TYR A 33 0.557 -8.664 0.044 1.00 45.12 C ATOM 559 O TYR A 33 0.029 -9.618 0.628 1.00 2.14 O ATOM 560 CB TYR A 33 2.090 -10.296 -1.224 1.00 65.14 C ATOM 561 CG TYR A 33 3.539 -10.675 -1.571 1.00 24.43 C ATOM 562 CD1 TYR A 33 4.162 -10.193 -2.723 1.00 22.40 C ATOM 563 CD2 TYR A 33 4.302 -11.478 -0.714 1.00 63.43 C ATOM 564 CE1 TYR A 33 5.481 -10.507 -3.012 1.00 74.32 C ATOM 565 CE2 TYR A 33 5.619 -11.787 -0.995 1.00 64.32 C ATOM 566 CZ TYR A 33 6.204 -11.300 -2.144 1.00 44.02 C ATOM 567 OH TYR A 33 7.522 -11.606 -2.418 1.00 31.50 O ATOM 0 H TYR A 33 2.992 -9.251 1.119 1.00 62.40 H new ATOM 0 HA TYR A 33 2.010 -8.149 -1.478 1.00 34.20 H new ATOM 0 HB2 TYR A 33 1.701 -11.010 -0.497 1.00 65.14 H new ATOM 0 HB3 TYR A 33 1.476 -10.387 -2.120 1.00 65.14 H new ATOM 0 HD1 TYR A 33 3.606 -9.564 -3.402 1.00 22.40 H new ATOM 0 HD2 TYR A 33 3.850 -11.865 0.188 1.00 63.43 H new ATOM 0 HE1 TYR A 33 5.942 -10.132 -3.914 1.00 74.32 H new ATOM 0 HE2 TYR A 33 6.187 -12.407 -0.318 1.00 64.32 H new ATOM 0 HH TYR A 33 7.882 -12.172 -1.704 1.00 31.50 H new ATOM 577 N PRO A 34 -0.022 -7.412 0.070 1.00 51.51 N ATOM 578 CA PRO A 34 -1.350 -7.157 0.689 1.00 51.14 C ATOM 579 C PRO A 34 -2.521 -7.812 -0.096 1.00 75.31 C ATOM 580 O PRO A 34 -2.585 -7.731 -1.331 1.00 41.01 O ATOM 581 CB PRO A 34 -1.459 -5.605 0.676 1.00 14.41 C ATOM 582 CG PRO A 34 -0.596 -5.189 -0.472 1.00 24.14 C ATOM 583 CD PRO A 34 0.573 -6.153 -0.453 1.00 4.43 C ATOM 0 HA PRO A 34 -1.425 -7.591 1.686 1.00 51.14 H new ATOM 0 HB2 PRO A 34 -2.490 -5.279 0.539 1.00 14.41 H new ATOM 0 HB3 PRO A 34 -1.110 -5.173 1.614 1.00 14.41 H new ATOM 0 HG2 PRO A 34 -1.139 -5.246 -1.415 1.00 24.14 H new ATOM 0 HG3 PRO A 34 -0.260 -4.158 -0.360 1.00 24.14 H new ATOM 0 HD2 PRO A 34 0.995 -6.292 -1.449 1.00 4.43 H new ATOM 0 HD3 PRO A 34 1.379 -5.794 0.187 1.00 4.43 H new ATOM 591 N ASP A 35 -3.422 -8.477 0.638 1.00 52.10 N ATOM 592 CA ASP A 35 -4.659 -9.070 0.078 1.00 2.52 C ATOM 593 C ASP A 35 -5.757 -7.986 -0.126 1.00 33.12 C ATOM 594 O ASP A 35 -5.507 -6.795 0.095 1.00 61.41 O ATOM 595 CB ASP A 35 -5.147 -10.196 1.022 1.00 35.12 C ATOM 596 CG ASP A 35 -5.411 -9.691 2.453 1.00 35.00 C ATOM 597 OD1 ASP A 35 -4.447 -9.564 3.241 1.00 72.32 O ATOM 598 OD2 ASP A 35 -6.574 -9.405 2.790 1.00 71.04 O ATOM 0 H ASP A 35 -3.320 -8.624 1.642 1.00 52.10 H new ATOM 0 HA ASP A 35 -4.446 -9.493 -0.904 1.00 2.52 H new ATOM 0 HB2 ASP A 35 -6.061 -10.633 0.620 1.00 35.12 H new ATOM 0 HB3 ASP A 35 -4.401 -10.990 1.052 1.00 35.12 H new ATOM 603 N VAL A 36 -6.970 -8.415 -0.536 1.00 64.54 N ATOM 604 CA VAL A 36 -8.120 -7.505 -0.786 1.00 31.12 C ATOM 605 C VAL A 36 -8.502 -6.688 0.482 1.00 73.14 C ATOM 606 O VAL A 36 -8.713 -5.478 0.407 1.00 30.12 O ATOM 607 CB VAL A 36 -9.374 -8.309 -1.326 1.00 4.22 C ATOM 608 CG1 VAL A 36 -9.885 -9.361 -0.298 1.00 2.05 C ATOM 609 CG2 VAL A 36 -10.517 -7.353 -1.770 1.00 52.34 C ATOM 0 H VAL A 36 -7.184 -9.398 -0.704 1.00 64.54 H new ATOM 0 HA VAL A 36 -7.805 -6.796 -1.552 1.00 31.12 H new ATOM 0 HB VAL A 36 -9.040 -8.858 -2.206 1.00 4.22 H new ATOM 0 HG11 VAL A 36 -10.745 -9.887 -0.713 1.00 2.05 H new ATOM 0 HG12 VAL A 36 -9.091 -10.076 -0.084 1.00 2.05 H new ATOM 0 HG13 VAL A 36 -10.177 -8.857 0.623 1.00 2.05 H new ATOM 0 HG21 VAL A 36 -11.361 -7.939 -2.135 1.00 52.34 H new ATOM 0 HG22 VAL A 36 -10.835 -6.748 -0.921 1.00 52.34 H new ATOM 0 HG23 VAL A 36 -10.157 -6.701 -2.566 1.00 52.34 H new ATOM 619 N TYR A 37 -8.511 -7.363 1.648 1.00 25.32 N ATOM 620 CA TYR A 37 -8.922 -6.770 2.944 1.00 53.21 C ATOM 621 C TYR A 37 -7.833 -5.815 3.483 1.00 32.42 C ATOM 622 O TYR A 37 -8.142 -4.767 4.058 1.00 33.01 O ATOM 623 CB TYR A 37 -9.240 -7.898 3.959 1.00 62.52 C ATOM 624 CG TYR A 37 -9.761 -7.413 5.316 1.00 4.13 C ATOM 625 CD1 TYR A 37 -11.055 -6.906 5.437 1.00 31.33 C ATOM 626 CD2 TYR A 37 -8.973 -7.469 6.469 1.00 53.22 C ATOM 627 CE1 TYR A 37 -11.541 -6.472 6.654 1.00 64.32 C ATOM 628 CE2 TYR A 37 -9.454 -7.039 7.688 1.00 74.11 C ATOM 629 CZ TYR A 37 -10.738 -6.542 7.778 1.00 35.22 C ATOM 630 OH TYR A 37 -11.223 -6.108 8.992 1.00 11.02 O ATOM 0 H TYR A 37 -8.232 -8.341 1.722 1.00 25.32 H new ATOM 0 HA TYR A 37 -9.825 -6.178 2.793 1.00 53.21 H new ATOM 0 HB2 TYR A 37 -9.981 -8.566 3.519 1.00 62.52 H new ATOM 0 HB3 TYR A 37 -8.337 -8.487 4.121 1.00 62.52 H new ATOM 0 HD1 TYR A 37 -11.688 -6.852 4.563 1.00 31.33 H new ATOM 0 HD2 TYR A 37 -7.967 -7.857 6.404 1.00 53.22 H new ATOM 0 HE1 TYR A 37 -12.544 -6.079 6.728 1.00 64.32 H new ATOM 0 HE2 TYR A 37 -8.829 -7.091 8.567 1.00 74.11 H new ATOM 0 HH TYR A 37 -10.535 -6.226 9.680 1.00 11.02 H new ATOM 640 N ALA A 38 -6.556 -6.192 3.272 1.00 11.45 N ATOM 641 CA ALA A 38 -5.396 -5.315 3.568 1.00 45.31 C ATOM 642 C ALA A 38 -5.461 -4.002 2.742 1.00 14.34 C ATOM 643 O ALA A 38 -5.069 -2.934 3.227 1.00 73.15 O ATOM 644 CB ALA A 38 -4.085 -6.063 3.303 1.00 50.43 C ATOM 0 H ALA A 38 -6.297 -7.104 2.895 1.00 11.45 H new ATOM 0 HA ALA A 38 -5.433 -5.043 4.623 1.00 45.31 H new ATOM 0 HB1 ALA A 38 -3.242 -5.409 3.524 1.00 50.43 H new ATOM 0 HB2 ALA A 38 -4.035 -6.947 3.939 1.00 50.43 H new ATOM 0 HB3 ALA A 38 -4.044 -6.367 2.257 1.00 50.43 H new ATOM 650 N ARG A 39 -5.974 -4.103 1.496 1.00 55.01 N ATOM 651 CA ARG A 39 -6.200 -2.936 0.612 1.00 65.02 C ATOM 652 C ARG A 39 -7.443 -2.122 1.034 1.00 44.34 C ATOM 653 O ARG A 39 -7.468 -0.919 0.813 1.00 71.51 O ATOM 654 CB ARG A 39 -6.368 -3.371 -0.862 1.00 22.13 C ATOM 655 CG ARG A 39 -5.116 -3.991 -1.510 1.00 53.13 C ATOM 656 CD ARG A 39 -5.384 -4.391 -2.975 1.00 2.04 C ATOM 657 NE ARG A 39 -4.215 -5.007 -3.617 1.00 1.51 N ATOM 658 CZ ARG A 39 -4.044 -6.296 -3.827 1.00 34.31 C ATOM 659 NH1 ARG A 39 -4.873 -7.178 -3.355 1.00 62.43 N ATOM 660 NH2 ARG A 39 -3.028 -6.685 -4.517 1.00 25.31 N ATOM 0 H ARG A 39 -6.243 -4.992 1.075 1.00 55.01 H new ATOM 0 HA ARG A 39 -5.316 -2.306 0.709 1.00 65.02 H new ATOM 0 HB2 ARG A 39 -7.183 -4.093 -0.920 1.00 22.13 H new ATOM 0 HB3 ARG A 39 -6.669 -2.503 -1.448 1.00 22.13 H new ATOM 0 HG2 ARG A 39 -4.292 -3.278 -1.470 1.00 53.13 H new ATOM 0 HG3 ARG A 39 -4.806 -4.868 -0.942 1.00 53.13 H new ATOM 0 HD2 ARG A 39 -6.222 -5.088 -3.010 1.00 2.04 H new ATOM 0 HD3 ARG A 39 -5.680 -3.507 -3.540 1.00 2.04 H new ATOM 0 HE ARG A 39 -3.471 -4.382 -3.927 1.00 1.51 H new ATOM 0 HH11 ARG A 39 -5.679 -6.878 -2.807 1.00 62.43 H new ATOM 0 HH12 ARG A 39 -4.717 -8.170 -3.532 1.00 62.43 H new ATOM 0 HH21 ARG A 39 -2.372 -5.999 -4.890 1.00 25.31 H new ATOM 0 HH22 ARG A 39 -2.879 -7.679 -4.690 1.00 25.31 H new ATOM 674 N GLU A 40 -8.486 -2.782 1.603 1.00 25.40 N ATOM 675 CA GLU A 40 -9.707 -2.074 2.093 1.00 4.14 C ATOM 676 C GLU A 40 -9.324 -1.021 3.158 1.00 65.11 C ATOM 677 O GLU A 40 -9.629 0.167 3.026 1.00 15.21 O ATOM 678 CB GLU A 40 -10.751 -3.061 2.702 1.00 21.51 C ATOM 679 CG GLU A 40 -11.271 -4.161 1.752 1.00 51.40 C ATOM 680 CD GLU A 40 -11.894 -3.618 0.455 1.00 71.04 C ATOM 681 OE1 GLU A 40 -13.027 -3.085 0.509 1.00 52.13 O ATOM 682 OE2 GLU A 40 -11.269 -3.725 -0.624 1.00 54.12 O ATOM 0 H GLU A 40 -8.510 -3.793 1.735 1.00 25.40 H new ATOM 0 HA GLU A 40 -10.161 -1.586 1.231 1.00 4.14 H new ATOM 0 HB2 GLU A 40 -10.304 -3.541 3.573 1.00 21.51 H new ATOM 0 HB3 GLU A 40 -11.603 -2.483 3.059 1.00 21.51 H new ATOM 0 HG2 GLU A 40 -10.447 -4.827 1.497 1.00 51.40 H new ATOM 0 HG3 GLU A 40 -12.014 -4.760 2.278 1.00 51.40 H new ATOM 689 N GLN A 41 -8.602 -1.497 4.184 1.00 12.15 N ATOM 690 CA GLN A 41 -8.164 -0.677 5.337 1.00 20.00 C ATOM 691 C GLN A 41 -7.176 0.430 4.888 1.00 0.32 C ATOM 692 O GLN A 41 -7.318 1.591 5.268 1.00 11.33 O ATOM 693 CB GLN A 41 -7.504 -1.597 6.404 1.00 71.45 C ATOM 694 CG GLN A 41 -8.334 -2.850 6.758 1.00 2.22 C ATOM 695 CD GLN A 41 -7.617 -3.799 7.725 1.00 34.23 C ATOM 696 OE1 GLN A 41 -6.869 -4.682 7.314 1.00 24.41 O ATOM 697 NE2 GLN A 41 -7.849 -3.640 9.014 1.00 4.32 N ATOM 0 H GLN A 41 -8.300 -2.470 4.242 1.00 12.15 H new ATOM 0 HA GLN A 41 -9.035 -0.187 5.772 1.00 20.00 H new ATOM 0 HB2 GLN A 41 -6.526 -1.913 6.040 1.00 71.45 H new ATOM 0 HB3 GLN A 41 -7.335 -1.018 7.312 1.00 71.45 H new ATOM 0 HG2 GLN A 41 -9.280 -2.538 7.201 1.00 2.22 H new ATOM 0 HG3 GLN A 41 -8.574 -3.389 5.842 1.00 2.22 H new ATOM 0 HE21 GLN A 41 -8.474 -2.899 9.332 1.00 4.32 H new ATOM 0 HE22 GLN A 41 -7.403 -4.258 9.692 1.00 4.32 H new ATOM 706 N LEU A 42 -6.200 0.042 4.046 1.00 14.53 N ATOM 707 CA LEU A 42 -5.136 0.950 3.546 1.00 31.15 C ATOM 708 C LEU A 42 -5.683 2.064 2.611 1.00 61.15 C ATOM 709 O LEU A 42 -5.280 3.220 2.727 1.00 15.12 O ATOM 710 CB LEU A 42 -4.051 0.109 2.821 1.00 45.44 C ATOM 711 CG LEU A 42 -2.863 0.884 2.162 1.00 4.11 C ATOM 712 CD1 LEU A 42 -2.125 1.793 3.174 1.00 60.05 C ATOM 713 CD2 LEU A 42 -1.891 -0.106 1.485 1.00 32.44 C ATOM 0 H LEU A 42 -6.122 -0.910 3.689 1.00 14.53 H new ATOM 0 HA LEU A 42 -4.702 1.462 4.405 1.00 31.15 H new ATOM 0 HB2 LEU A 42 -3.635 -0.597 3.540 1.00 45.44 H new ATOM 0 HB3 LEU A 42 -4.542 -0.478 2.045 1.00 45.44 H new ATOM 0 HG LEU A 42 -3.279 1.542 1.399 1.00 4.11 H new ATOM 0 HD11 LEU A 42 -1.308 2.310 2.670 1.00 60.05 H new ATOM 0 HD12 LEU A 42 -2.822 2.525 3.581 1.00 60.05 H new ATOM 0 HD13 LEU A 42 -1.724 1.184 3.984 1.00 60.05 H new ATOM 0 HD21 LEU A 42 -1.068 0.446 1.030 1.00 32.44 H new ATOM 0 HD22 LEU A 42 -1.497 -0.796 2.231 1.00 32.44 H new ATOM 0 HD23 LEU A 42 -2.421 -0.667 0.716 1.00 32.44 H new ATOM 725 N ALA A 43 -6.604 1.703 1.705 1.00 35.30 N ATOM 726 CA ALA A 43 -7.183 2.651 0.716 1.00 11.42 C ATOM 727 C ALA A 43 -8.102 3.696 1.389 1.00 63.21 C ATOM 728 O ALA A 43 -8.177 4.842 0.936 1.00 24.41 O ATOM 729 CB ALA A 43 -7.935 1.892 -0.387 1.00 52.10 C ATOM 0 H ALA A 43 -6.972 0.755 1.630 1.00 35.30 H new ATOM 0 HA ALA A 43 -6.355 3.194 0.261 1.00 11.42 H new ATOM 0 HB1 ALA A 43 -8.351 2.604 -1.100 1.00 52.10 H new ATOM 0 HB2 ALA A 43 -7.246 1.222 -0.902 1.00 52.10 H new ATOM 0 HB3 ALA A 43 -8.742 1.310 0.057 1.00 52.10 H new ATOM 735 N MET A 44 -8.801 3.291 2.470 1.00 62.54 N ATOM 736 CA MET A 44 -9.615 4.221 3.291 1.00 73.41 C ATOM 737 C MET A 44 -8.702 5.132 4.157 1.00 11.01 C ATOM 738 O MET A 44 -8.979 6.326 4.321 1.00 44.45 O ATOM 739 CB MET A 44 -10.606 3.438 4.194 1.00 23.21 C ATOM 740 CG MET A 44 -11.692 2.664 3.425 1.00 12.44 C ATOM 741 SD MET A 44 -12.894 1.863 4.517 1.00 1.34 S ATOM 742 CE MET A 44 -11.870 0.698 5.417 1.00 61.15 C ATOM 0 H MET A 44 -8.820 2.325 2.797 1.00 62.54 H new ATOM 0 HA MET A 44 -10.191 4.851 2.613 1.00 73.41 H new ATOM 0 HB2 MET A 44 -10.042 2.735 4.808 1.00 23.21 H new ATOM 0 HB3 MET A 44 -11.090 4.139 4.875 1.00 23.21 H new ATOM 0 HG2 MET A 44 -12.215 3.349 2.757 1.00 12.44 H new ATOM 0 HG3 MET A 44 -11.218 1.908 2.799 1.00 12.44 H new ATOM 0 HE1 MET A 44 -12.487 0.141 6.122 1.00 61.15 H new ATOM 0 HE2 MET A 44 -11.405 0.005 4.716 1.00 61.15 H new ATOM 0 HE3 MET A 44 -11.096 1.239 5.961 1.00 61.15 H new ATOM 752 N ARG A 45 -7.614 4.537 4.688 1.00 53.34 N ATOM 753 CA ARG A 45 -6.585 5.234 5.503 1.00 14.14 C ATOM 754 C ARG A 45 -5.941 6.408 4.709 1.00 22.05 C ATOM 755 O ARG A 45 -5.953 7.560 5.146 1.00 52.11 O ATOM 756 CB ARG A 45 -5.479 4.198 5.957 1.00 73.10 C ATOM 757 CG ARG A 45 -5.263 4.069 7.483 1.00 45.01 C ATOM 758 CD ARG A 45 -4.782 5.381 8.128 1.00 0.13 C ATOM 759 NE ARG A 45 -4.382 5.210 9.536 1.00 55.43 N ATOM 760 CZ ARG A 45 -4.173 6.191 10.389 1.00 2.03 C ATOM 761 NH1 ARG A 45 -4.349 7.432 10.055 1.00 41.22 N ATOM 762 NH2 ARG A 45 -3.786 5.923 11.587 1.00 51.15 N ATOM 0 H ARG A 45 -7.418 3.544 4.563 1.00 53.34 H new ATOM 0 HA ARG A 45 -7.066 5.657 6.385 1.00 14.14 H new ATOM 0 HB2 ARG A 45 -5.743 3.217 5.562 1.00 73.10 H new ATOM 0 HB3 ARG A 45 -4.532 4.482 5.498 1.00 73.10 H new ATOM 0 HG2 ARG A 45 -6.196 3.759 7.953 1.00 45.01 H new ATOM 0 HG3 ARG A 45 -4.532 3.284 7.677 1.00 45.01 H new ATOM 0 HD2 ARG A 45 -3.938 5.772 7.560 1.00 0.13 H new ATOM 0 HD3 ARG A 45 -5.578 6.123 8.068 1.00 0.13 H new ATOM 0 HE ARG A 45 -4.257 4.257 9.877 1.00 55.43 H new ATOM 0 HH11 ARG A 45 -4.657 7.667 9.111 1.00 41.22 H new ATOM 0 HH12 ARG A 45 -4.180 8.172 10.736 1.00 41.22 H new ATOM 0 HH21 ARG A 45 -3.643 4.954 11.872 1.00 51.15 H new ATOM 0 HH22 ARG A 45 -3.623 6.679 12.251 1.00 51.15 H new ATOM 776 N THR A 46 -5.405 6.075 3.527 1.00 12.01 N ATOM 777 CA THR A 46 -4.617 7.003 2.675 1.00 32.11 C ATOM 778 C THR A 46 -5.486 7.797 1.669 1.00 4.52 C ATOM 779 O THR A 46 -4.960 8.679 0.974 1.00 15.55 O ATOM 780 CB THR A 46 -3.521 6.208 1.885 1.00 63.23 C ATOM 781 OG1 THR A 46 -4.137 5.191 1.070 1.00 44.54 O ATOM 782 CG2 THR A 46 -2.491 5.556 2.824 1.00 15.50 C ATOM 0 H THR A 46 -5.502 5.144 3.122 1.00 12.01 H new ATOM 0 HA THR A 46 -4.159 7.725 3.352 1.00 32.11 H new ATOM 0 HB THR A 46 -2.995 6.924 1.253 1.00 63.23 H new ATOM 0 HG1 THR A 46 -4.449 4.458 1.641 1.00 44.54 H new ATOM 0 HG21 THR A 46 -1.751 5.016 2.233 1.00 15.50 H new ATOM 0 HG22 THR A 46 -1.994 6.328 3.411 1.00 15.50 H new ATOM 0 HG23 THR A 46 -2.998 4.861 3.494 1.00 15.50 H new ATOM 790 N ASP A 47 -6.803 7.464 1.600 1.00 3.35 N ATOM 791 CA ASP A 47 -7.786 8.083 0.658 1.00 10.13 C ATOM 792 C ASP A 47 -7.476 7.761 -0.832 1.00 43.41 C ATOM 793 O ASP A 47 -7.988 8.429 -1.740 1.00 51.41 O ATOM 794 CB ASP A 47 -7.887 9.618 0.903 1.00 74.12 C ATOM 795 CG ASP A 47 -8.469 9.948 2.287 1.00 40.33 C ATOM 796 OD1 ASP A 47 -7.702 9.978 3.279 1.00 12.11 O ATOM 797 OD2 ASP A 47 -9.694 10.172 2.396 1.00 33.21 O ATOM 0 H ASP A 47 -7.220 6.752 2.200 1.00 3.35 H new ATOM 0 HA ASP A 47 -8.758 7.636 0.867 1.00 10.13 H new ATOM 0 HB2 ASP A 47 -6.897 10.065 0.811 1.00 74.12 H new ATOM 0 HB3 ASP A 47 -8.512 10.067 0.131 1.00 74.12 H new ATOM 802 N LEU A 48 -6.682 6.702 -1.068 1.00 73.11 N ATOM 803 CA LEU A 48 -6.227 6.314 -2.424 1.00 32.43 C ATOM 804 C LEU A 48 -7.161 5.284 -3.094 1.00 22.05 C ATOM 805 O LEU A 48 -7.838 4.505 -2.423 1.00 73.14 O ATOM 806 CB LEU A 48 -4.784 5.746 -2.352 1.00 14.11 C ATOM 807 CG LEU A 48 -3.684 6.762 -1.924 1.00 44.31 C ATOM 808 CD1 LEU A 48 -2.307 6.073 -1.794 1.00 11.15 C ATOM 809 CD2 LEU A 48 -3.632 7.966 -2.896 1.00 33.30 C ATOM 0 H LEU A 48 -6.336 6.089 -0.330 1.00 73.11 H new ATOM 0 HA LEU A 48 -6.247 7.214 -3.039 1.00 32.43 H new ATOM 0 HB2 LEU A 48 -4.775 4.911 -1.651 1.00 14.11 H new ATOM 0 HB3 LEU A 48 -4.521 5.344 -3.330 1.00 14.11 H new ATOM 0 HG LEU A 48 -3.947 7.148 -0.939 1.00 44.31 H new ATOM 0 HD11 LEU A 48 -1.560 6.807 -1.494 1.00 11.15 H new ATOM 0 HD12 LEU A 48 -2.364 5.285 -1.043 1.00 11.15 H new ATOM 0 HD13 LEU A 48 -2.025 5.639 -2.754 1.00 11.15 H new ATOM 0 HD21 LEU A 48 -2.856 8.660 -2.574 1.00 33.30 H new ATOM 0 HD22 LEU A 48 -3.408 7.612 -3.902 1.00 33.30 H new ATOM 0 HD23 LEU A 48 -4.596 8.475 -2.897 1.00 33.30 H new ATOM 821 N THR A 49 -7.174 5.308 -4.437 1.00 61.23 N ATOM 822 CA THR A 49 -7.849 4.296 -5.283 1.00 1.44 C ATOM 823 C THR A 49 -7.154 2.910 -5.142 1.00 13.21 C ATOM 824 O THR A 49 -5.955 2.850 -4.852 1.00 15.02 O ATOM 825 CB THR A 49 -7.817 4.766 -6.786 1.00 34.43 C ATOM 826 OG1 THR A 49 -8.415 6.071 -6.892 1.00 3.42 O ATOM 827 CG2 THR A 49 -8.542 3.795 -7.742 1.00 12.33 C ATOM 0 H THR A 49 -6.711 6.039 -4.978 1.00 61.23 H new ATOM 0 HA THR A 49 -8.883 4.194 -4.955 1.00 1.44 H new ATOM 0 HB THR A 49 -6.770 4.790 -7.088 1.00 34.43 H new ATOM 0 HG1 THR A 49 -8.394 6.365 -7.826 1.00 3.42 H new ATOM 0 HG21 THR A 49 -8.483 4.177 -8.761 1.00 12.33 H new ATOM 0 HG22 THR A 49 -8.068 2.815 -7.694 1.00 12.33 H new ATOM 0 HG23 THR A 49 -9.588 3.707 -7.447 1.00 12.33 H new ATOM 835 N GLU A 50 -7.913 1.806 -5.330 1.00 23.12 N ATOM 836 CA GLU A 50 -7.349 0.426 -5.322 1.00 63.34 C ATOM 837 C GLU A 50 -6.173 0.298 -6.322 1.00 23.11 C ATOM 838 O GLU A 50 -5.103 -0.197 -5.974 1.00 72.54 O ATOM 839 CB GLU A 50 -8.442 -0.614 -5.687 1.00 55.32 C ATOM 840 CG GLU A 50 -9.692 -0.594 -4.797 1.00 13.33 C ATOM 841 CD GLU A 50 -10.773 -1.590 -5.264 1.00 22.24 C ATOM 842 OE1 GLU A 50 -11.397 -1.343 -6.322 1.00 32.44 O ATOM 843 OE2 GLU A 50 -10.980 -2.634 -4.601 1.00 54.51 O ATOM 0 H GLU A 50 -8.920 1.839 -5.490 1.00 23.12 H new ATOM 0 HA GLU A 50 -6.982 0.229 -4.315 1.00 63.34 H new ATOM 0 HB2 GLU A 50 -8.749 -0.446 -6.719 1.00 55.32 H new ATOM 0 HB3 GLU A 50 -8.001 -1.610 -5.643 1.00 55.32 H new ATOM 0 HG2 GLU A 50 -9.406 -0.829 -3.772 1.00 13.33 H new ATOM 0 HG3 GLU A 50 -10.111 0.412 -4.789 1.00 13.33 H new ATOM 850 N ALA A 51 -6.410 0.782 -7.559 1.00 33.32 N ATOM 851 CA ALA A 51 -5.401 0.810 -8.650 1.00 72.31 C ATOM 852 C ALA A 51 -4.131 1.616 -8.259 1.00 65.24 C ATOM 853 O ALA A 51 -3.014 1.254 -8.636 1.00 5.21 O ATOM 854 CB ALA A 51 -6.044 1.399 -9.918 1.00 3.35 C ATOM 0 H ALA A 51 -7.313 1.168 -7.836 1.00 33.32 H new ATOM 0 HA ALA A 51 -5.077 -0.214 -8.837 1.00 72.31 H new ATOM 0 HB1 ALA A 51 -5.308 1.422 -10.722 1.00 3.35 H new ATOM 0 HB2 ALA A 51 -6.890 0.781 -10.218 1.00 3.35 H new ATOM 0 HB3 ALA A 51 -6.390 2.412 -9.714 1.00 3.35 H new ATOM 860 N ARG A 52 -4.329 2.703 -7.491 1.00 12.22 N ATOM 861 CA ARG A 52 -3.227 3.565 -6.988 1.00 31.32 C ATOM 862 C ARG A 52 -2.307 2.777 -6.014 1.00 30.31 C ATOM 863 O ARG A 52 -1.075 2.845 -6.100 1.00 34.00 O ATOM 864 CB ARG A 52 -3.813 4.808 -6.263 1.00 41.33 C ATOM 865 CG ARG A 52 -2.800 5.939 -5.998 1.00 54.43 C ATOM 866 CD ARG A 52 -2.489 6.758 -7.264 1.00 10.32 C ATOM 867 NE ARG A 52 -3.660 7.538 -7.698 1.00 51.33 N ATOM 868 CZ ARG A 52 -4.002 7.804 -8.938 1.00 4.14 C ATOM 869 NH1 ARG A 52 -3.308 7.377 -9.947 1.00 5.25 N ATOM 870 NH2 ARG A 52 -5.057 8.506 -9.158 1.00 74.21 N ATOM 0 H ARG A 52 -5.255 3.014 -7.198 1.00 12.22 H new ATOM 0 HA ARG A 52 -2.632 3.889 -7.842 1.00 31.32 H new ATOM 0 HB2 ARG A 52 -4.633 5.206 -6.860 1.00 41.33 H new ATOM 0 HB3 ARG A 52 -4.238 4.489 -5.311 1.00 41.33 H new ATOM 0 HG2 ARG A 52 -3.193 6.602 -5.227 1.00 54.43 H new ATOM 0 HG3 ARG A 52 -1.876 5.511 -5.609 1.00 54.43 H new ATOM 0 HD2 ARG A 52 -1.654 7.430 -7.069 1.00 10.32 H new ATOM 0 HD3 ARG A 52 -2.178 6.088 -8.066 1.00 10.32 H new ATOM 0 HE ARG A 52 -4.264 7.908 -6.964 1.00 51.33 H new ATOM 0 HH11 ARG A 52 -2.470 6.817 -9.789 1.00 5.25 H new ATOM 0 HH12 ARG A 52 -3.600 7.601 -10.898 1.00 5.25 H new ATOM 0 HH21 ARG A 52 -5.615 8.848 -8.375 1.00 74.21 H new ATOM 0 HH22 ARG A 52 -5.336 8.721 -10.115 1.00 74.21 H new ATOM 884 N VAL A 53 -2.954 2.035 -5.095 1.00 42.42 N ATOM 885 CA VAL A 53 -2.282 1.156 -4.110 1.00 24.35 C ATOM 886 C VAL A 53 -1.486 0.022 -4.819 1.00 70.24 C ATOM 887 O VAL A 53 -0.356 -0.287 -4.427 1.00 23.14 O ATOM 888 CB VAL A 53 -3.343 0.559 -3.102 1.00 53.30 C ATOM 889 CG1 VAL A 53 -2.718 -0.474 -2.131 1.00 74.04 C ATOM 890 CG2 VAL A 53 -4.054 1.695 -2.311 1.00 45.02 C ATOM 0 H VAL A 53 -3.971 2.027 -5.012 1.00 42.42 H new ATOM 0 HA VAL A 53 -1.566 1.755 -3.547 1.00 24.35 H new ATOM 0 HB VAL A 53 -4.085 0.029 -3.699 1.00 53.30 H new ATOM 0 HG11 VAL A 53 -3.488 -0.854 -1.459 1.00 74.04 H new ATOM 0 HG12 VAL A 53 -2.294 -1.300 -2.702 1.00 74.04 H new ATOM 0 HG13 VAL A 53 -1.932 0.005 -1.547 1.00 74.04 H new ATOM 0 HG21 VAL A 53 -4.780 1.261 -1.624 1.00 45.02 H new ATOM 0 HG22 VAL A 53 -3.315 2.263 -1.747 1.00 45.02 H new ATOM 0 HG23 VAL A 53 -4.566 2.358 -3.008 1.00 45.02 H new ATOM 900 N GLN A 54 -2.088 -0.556 -5.887 1.00 51.44 N ATOM 901 CA GLN A 54 -1.447 -1.615 -6.714 1.00 65.44 C ATOM 902 C GLN A 54 -0.076 -1.148 -7.262 1.00 74.22 C ATOM 903 O GLN A 54 0.947 -1.795 -7.015 1.00 31.34 O ATOM 904 CB GLN A 54 -2.365 -2.043 -7.904 1.00 1.53 C ATOM 905 CG GLN A 54 -3.736 -2.656 -7.527 1.00 24.03 C ATOM 906 CD GLN A 54 -3.673 -4.015 -6.811 1.00 25.25 C ATOM 907 OE1 GLN A 54 -2.746 -4.317 -6.069 1.00 64.42 O ATOM 908 NE2 GLN A 54 -4.664 -4.857 -7.031 1.00 74.54 N ATOM 0 H GLN A 54 -3.026 -0.305 -6.200 1.00 51.44 H new ATOM 0 HA GLN A 54 -1.293 -2.475 -6.062 1.00 65.44 H new ATOM 0 HB2 GLN A 54 -2.542 -1.169 -8.531 1.00 1.53 H new ATOM 0 HB3 GLN A 54 -1.822 -2.767 -8.512 1.00 1.53 H new ATOM 0 HG2 GLN A 54 -4.267 -1.951 -6.887 1.00 24.03 H new ATOM 0 HG3 GLN A 54 -4.327 -2.770 -8.436 1.00 24.03 H new ATOM 0 HE21 GLN A 54 -5.430 -4.593 -7.651 1.00 74.54 H new ATOM 0 HE22 GLN A 54 -4.665 -5.772 -6.581 1.00 74.54 H new ATOM 917 N VAL A 55 -0.092 0.012 -7.958 1.00 60.14 N ATOM 918 CA VAL A 55 1.104 0.632 -8.588 1.00 72.21 C ATOM 919 C VAL A 55 2.295 0.752 -7.603 1.00 33.12 C ATOM 920 O VAL A 55 3.427 0.372 -7.940 1.00 24.05 O ATOM 921 CB VAL A 55 0.748 2.056 -9.177 1.00 51.42 C ATOM 922 CG1 VAL A 55 2.007 2.808 -9.696 1.00 3.14 C ATOM 923 CG2 VAL A 55 -0.318 1.936 -10.299 1.00 34.55 C ATOM 0 H VAL A 55 -0.945 0.553 -8.102 1.00 60.14 H new ATOM 0 HA VAL A 55 1.412 -0.029 -9.398 1.00 72.21 H new ATOM 0 HB VAL A 55 0.333 2.646 -8.360 1.00 51.42 H new ATOM 0 HG11 VAL A 55 1.713 3.780 -10.091 1.00 3.14 H new ATOM 0 HG12 VAL A 55 2.711 2.947 -8.876 1.00 3.14 H new ATOM 0 HG13 VAL A 55 2.480 2.224 -10.485 1.00 3.14 H new ATOM 0 HG21 VAL A 55 -0.548 2.927 -10.690 1.00 34.55 H new ATOM 0 HG22 VAL A 55 0.069 1.310 -11.103 1.00 34.55 H new ATOM 0 HG23 VAL A 55 -1.224 1.487 -9.893 1.00 34.55 H new ATOM 933 N TRP A 56 2.010 1.249 -6.383 1.00 11.05 N ATOM 934 CA TRP A 56 3.041 1.472 -5.348 1.00 71.33 C ATOM 935 C TRP A 56 3.781 0.154 -4.995 1.00 24.44 C ATOM 936 O TRP A 56 5.011 0.092 -5.062 1.00 12.50 O ATOM 937 CB TRP A 56 2.422 2.099 -4.069 1.00 62.33 C ATOM 938 CG TRP A 56 3.463 2.563 -3.064 1.00 3.02 C ATOM 939 CD1 TRP A 56 4.104 3.772 -3.047 1.00 72.03 C ATOM 940 CD2 TRP A 56 4.005 1.816 -1.959 1.00 21.22 C ATOM 941 NE1 TRP A 56 4.983 3.826 -2.001 1.00 12.22 N ATOM 942 CE2 TRP A 56 4.943 2.641 -1.318 1.00 23.33 C ATOM 943 CE3 TRP A 56 3.781 0.537 -1.450 1.00 2.41 C ATOM 944 CZ2 TRP A 56 5.660 2.223 -0.199 1.00 40.44 C ATOM 945 CZ3 TRP A 56 4.488 0.125 -0.339 1.00 40.32 C ATOM 946 CH2 TRP A 56 5.417 0.966 0.274 1.00 4.40 C ATOM 0 H TRP A 56 1.068 1.505 -6.088 1.00 11.05 H new ATOM 0 HA TRP A 56 3.768 2.172 -5.760 1.00 71.33 H new ATOM 0 HB2 TRP A 56 1.798 2.946 -4.353 1.00 62.33 H new ATOM 0 HB3 TRP A 56 1.769 1.368 -3.594 1.00 62.33 H new ATOM 0 HD1 TRP A 56 3.939 4.569 -3.757 1.00 72.03 H new ATOM 0 HE1 TRP A 56 5.575 4.623 -1.767 1.00 12.22 H new ATOM 0 HE3 TRP A 56 3.065 -0.121 -1.919 1.00 2.41 H new ATOM 0 HZ2 TRP A 56 6.382 2.870 0.277 1.00 40.44 H new ATOM 0 HZ3 TRP A 56 4.320 -0.864 0.062 1.00 40.32 H new ATOM 0 HH2 TRP A 56 5.956 0.615 1.142 1.00 4.40 H new ATOM 957 N PHE A 57 3.007 -0.896 -4.649 1.00 73.04 N ATOM 958 CA PHE A 57 3.563 -2.210 -4.247 1.00 1.14 C ATOM 959 C PHE A 57 4.299 -2.925 -5.405 1.00 31.24 C ATOM 960 O PHE A 57 5.272 -3.634 -5.155 1.00 22.12 O ATOM 961 CB PHE A 57 2.453 -3.120 -3.644 1.00 14.03 C ATOM 962 CG PHE A 57 2.037 -2.716 -2.231 1.00 65.51 C ATOM 963 CD1 PHE A 57 2.720 -3.212 -1.122 1.00 33.51 C ATOM 964 CD2 PHE A 57 0.990 -1.825 -2.010 1.00 31.13 C ATOM 965 CE1 PHE A 57 2.365 -2.833 0.158 1.00 23.51 C ATOM 966 CE2 PHE A 57 0.635 -1.448 -0.731 1.00 0.54 C ATOM 967 CZ PHE A 57 1.326 -1.948 0.355 1.00 45.13 C ATOM 0 H PHE A 57 1.988 -0.860 -4.639 1.00 73.04 H new ATOM 0 HA PHE A 57 4.309 -2.015 -3.477 1.00 1.14 H new ATOM 0 HB2 PHE A 57 1.578 -3.092 -4.294 1.00 14.03 H new ATOM 0 HB3 PHE A 57 2.807 -4.151 -3.630 1.00 14.03 H new ATOM 0 HD1 PHE A 57 3.538 -3.902 -1.265 1.00 33.51 H new ATOM 0 HD2 PHE A 57 0.447 -1.423 -2.853 1.00 31.13 H new ATOM 0 HE1 PHE A 57 2.902 -3.231 1.006 1.00 23.51 H new ATOM 0 HE2 PHE A 57 -0.184 -0.761 -0.579 1.00 0.54 H new ATOM 0 HZ PHE A 57 1.053 -1.647 1.356 1.00 45.13 H new ATOM 977 N GLN A 58 3.859 -2.715 -6.665 1.00 12.22 N ATOM 978 CA GLN A 58 4.542 -3.303 -7.849 1.00 51.14 C ATOM 979 C GLN A 58 5.988 -2.756 -8.001 1.00 4.23 C ATOM 980 O GLN A 58 6.933 -3.526 -8.199 1.00 21.20 O ATOM 981 CB GLN A 58 3.723 -3.051 -9.147 1.00 11.25 C ATOM 982 CG GLN A 58 2.312 -3.684 -9.169 1.00 73.41 C ATOM 983 CD GLN A 58 2.301 -5.181 -8.837 1.00 1.53 C ATOM 984 OE1 GLN A 58 2.445 -6.024 -9.713 1.00 61.15 O ATOM 985 NE2 GLN A 58 2.114 -5.521 -7.570 1.00 51.44 N ATOM 0 H GLN A 58 3.042 -2.149 -6.892 1.00 12.22 H new ATOM 0 HA GLN A 58 4.607 -4.379 -7.687 1.00 51.14 H new ATOM 0 HB2 GLN A 58 3.623 -1.975 -9.291 1.00 11.25 H new ATOM 0 HB3 GLN A 58 4.289 -3.435 -9.995 1.00 11.25 H new ATOM 0 HG2 GLN A 58 1.677 -3.158 -8.456 1.00 73.41 H new ATOM 0 HG3 GLN A 58 1.873 -3.537 -10.156 1.00 73.41 H new ATOM 0 HE21 GLN A 58 1.997 -4.798 -6.860 1.00 51.44 H new ATOM 0 HE22 GLN A 58 2.087 -6.506 -7.305 1.00 51.44 H new ATOM 994 N ASN A 59 6.143 -1.423 -7.872 1.00 50.21 N ATOM 995 CA ASN A 59 7.473 -0.752 -7.918 1.00 53.42 C ATOM 996 C ASN A 59 8.300 -1.006 -6.626 1.00 61.44 C ATOM 997 O ASN A 59 9.534 -1.065 -6.676 1.00 31.23 O ATOM 998 CB ASN A 59 7.305 0.772 -8.159 1.00 41.41 C ATOM 999 CG ASN A 59 6.832 1.102 -9.579 1.00 42.23 C ATOM 1000 OD1 ASN A 59 7.639 1.260 -10.485 1.00 10.20 O ATOM 1001 ND2 ASN A 59 5.537 1.218 -9.787 1.00 45.23 N ATOM 0 H ASN A 59 5.363 -0.780 -7.734 1.00 50.21 H new ATOM 0 HA ASN A 59 8.026 -1.186 -8.751 1.00 53.42 H new ATOM 0 HB2 ASN A 59 6.589 1.172 -7.441 1.00 41.41 H new ATOM 0 HB3 ASN A 59 8.256 1.271 -7.973 1.00 41.41 H new ATOM 0 HD21 ASN A 59 5.188 1.444 -10.719 1.00 45.23 H new ATOM 0 HD22 ASN A 59 4.883 1.082 -9.017 1.00 45.23 H new ATOM 1008 N ARG A 60 7.604 -1.166 -5.485 1.00 61.50 N ATOM 1009 CA ARG A 60 8.245 -1.354 -4.158 1.00 41.32 C ATOM 1010 C ARG A 60 8.962 -2.728 -4.055 1.00 61.25 C ATOM 1011 O ARG A 60 10.088 -2.803 -3.568 1.00 71.34 O ATOM 1012 CB ARG A 60 7.186 -1.203 -3.030 1.00 53.04 C ATOM 1013 CG ARG A 60 7.732 -1.317 -1.588 1.00 12.31 C ATOM 1014 CD ARG A 60 8.829 -0.287 -1.266 1.00 75.54 C ATOM 1015 NE ARG A 60 9.283 -0.402 0.132 1.00 30.24 N ATOM 1016 CZ ARG A 60 10.408 -0.951 0.543 1.00 1.42 C ATOM 1017 NH1 ARG A 60 11.220 -1.556 -0.282 1.00 21.22 N ATOM 1018 NH2 ARG A 60 10.697 -0.909 1.805 1.00 52.41 N ATOM 0 H ARG A 60 6.585 -1.170 -5.450 1.00 61.50 H new ATOM 0 HA ARG A 60 9.005 -0.582 -4.040 1.00 41.32 H new ATOM 0 HB2 ARG A 60 6.698 -0.234 -3.140 1.00 53.04 H new ATOM 0 HB3 ARG A 60 6.419 -1.964 -3.171 1.00 53.04 H new ATOM 0 HG2 ARG A 60 6.909 -1.192 -0.885 1.00 12.31 H new ATOM 0 HG3 ARG A 60 8.130 -2.320 -1.437 1.00 12.31 H new ATOM 0 HD2 ARG A 60 9.675 -0.433 -1.938 1.00 75.54 H new ATOM 0 HD3 ARG A 60 8.449 0.719 -1.445 1.00 75.54 H new ATOM 0 HE ARG A 60 8.667 -0.020 0.850 1.00 30.24 H new ATOM 0 HH11 ARG A 60 10.990 -1.613 -1.274 1.00 21.22 H new ATOM 0 HH12 ARG A 60 12.084 -1.972 0.066 1.00 21.22 H new ATOM 0 HH21 ARG A 60 10.059 -0.457 2.460 1.00 52.41 H new ATOM 0 HH22 ARG A 60 11.563 -1.328 2.144 1.00 52.41 H new ATOM 1032 N ARG A 61 8.280 -3.797 -4.515 1.00 42.30 N ATOM 1033 CA ARG A 61 8.850 -5.178 -4.564 1.00 2.24 C ATOM 1034 C ARG A 61 9.961 -5.283 -5.628 1.00 73.03 C ATOM 1035 O ARG A 61 10.963 -5.983 -5.432 1.00 62.12 O ATOM 1036 CB ARG A 61 7.737 -6.203 -4.889 1.00 2.31 C ATOM 1037 CG ARG A 61 6.551 -6.196 -3.907 1.00 74.32 C ATOM 1038 CD ARG A 61 5.365 -7.023 -4.429 1.00 51.50 C ATOM 1039 NE ARG A 61 4.142 -6.780 -3.653 1.00 1.33 N ATOM 1040 CZ ARG A 61 2.923 -6.984 -4.077 1.00 52.21 C ATOM 1041 NH1 ARG A 61 2.682 -7.517 -5.233 1.00 12.10 N ATOM 1042 NH2 ARG A 61 1.947 -6.663 -3.318 1.00 44.11 N ATOM 0 H ARG A 61 7.323 -3.738 -4.863 1.00 42.30 H new ATOM 0 HA ARG A 61 9.279 -5.396 -3.586 1.00 2.24 H new ATOM 0 HB2 ARG A 61 7.361 -6.005 -5.893 1.00 2.31 H new ATOM 0 HB3 ARG A 61 8.174 -7.201 -4.903 1.00 2.31 H new ATOM 0 HG2 ARG A 61 6.875 -6.594 -2.945 1.00 74.32 H new ATOM 0 HG3 ARG A 61 6.229 -5.169 -3.735 1.00 74.32 H new ATOM 0 HD2 ARG A 61 5.185 -6.778 -5.476 1.00 51.50 H new ATOM 0 HD3 ARG A 61 5.616 -8.083 -4.388 1.00 51.50 H new ATOM 0 HE ARG A 61 4.253 -6.422 -2.704 1.00 1.33 H new ATOM 0 HH11 ARG A 61 3.455 -7.790 -5.840 1.00 12.10 H new ATOM 0 HH12 ARG A 61 1.719 -7.664 -5.536 1.00 12.10 H new ATOM 0 HH21 ARG A 61 2.127 -6.256 -2.400 1.00 44.11 H new ATOM 0 HH22 ARG A 61 0.988 -6.814 -3.630 1.00 44.11 H new ATOM 1056 N ALA A 62 9.748 -4.579 -6.760 1.00 3.13 N ATOM 1057 CA ALA A 62 10.721 -4.509 -7.874 1.00 54.05 C ATOM 1058 C ALA A 62 12.065 -3.893 -7.416 1.00 1.32 C ATOM 1059 O ALA A 62 13.134 -4.353 -7.819 1.00 32.21 O ATOM 1060 CB ALA A 62 10.130 -3.706 -9.047 1.00 51.10 C ATOM 0 H ALA A 62 8.897 -4.043 -6.929 1.00 3.13 H new ATOM 0 HA ALA A 62 10.922 -5.527 -8.208 1.00 54.05 H new ATOM 0 HB1 ALA A 62 10.855 -3.662 -9.860 1.00 51.10 H new ATOM 0 HB2 ALA A 62 9.220 -4.192 -9.399 1.00 51.10 H new ATOM 0 HB3 ALA A 62 9.896 -2.695 -8.714 1.00 51.10 H new