USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= 0.414 K(o=0.96,f=-1.4) USER MOD Set 1.2: A 66 LYS NZ :NH3+ 137:sc= 0.544 (180deg=0) USER MOD Set 2.1: A 30 THR OG1 : rot -170:sc=0.000363 USER MOD Set 2.2: A 32 GLN : amide:sc= -2.53! K(o=-2.5!,f=-0.52) USER MOD Single : A 17 GLN : amide:sc= -2.34! C(o=-2.3!,f=-3.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.782 K(o=0.78,f=-0.38) USER MOD Single : A 24 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.54) USER MOD Single : A 26 GLN : amide:sc= -0.0571 X(o=-0.057,f=-0.061) USER MOD Single : A 34 THR OG1 : rot -160:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.85 K(o=-1.9,f=0.063) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.55 K(o=-2.6,f=-10!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -86:sc= 1.01 USER MOD Single : A 72 SER OG : rot -81:sc= 1.06 USER MOD Single : A 77 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.1) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl -132:sc= -0.0702 (180deg=-3.34!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0288) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -143:sc= 1.23 (180deg=1.04) USER MOD Single : A 112 HIS : no HD1:sc= -0.272 K(o=-0.15,f=-2.2) USER MOD Single : A 113 CYS SG : rot 150:sc= 0.904 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -5.148 4.306 10.455 1.00 14.34 N ATOM 281 CA GLN A 17 -3.922 3.554 10.222 1.00 52.31 C ATOM 282 C GLN A 17 -2.853 4.432 9.596 1.00 23.11 C ATOM 283 O GLN A 17 -1.673 4.227 9.834 1.00 44.13 O ATOM 284 CB GLN A 17 -4.160 2.341 9.327 1.00 2.04 C ATOM 285 CG GLN A 17 -5.048 1.272 9.939 1.00 0.32 C ATOM 286 CD GLN A 17 -4.891 -0.067 9.239 1.00 33.33 C ATOM 287 OE1 GLN A 17 -5.081 -1.123 9.835 1.00 62.24 O ATOM 288 NE2 GLN A 17 -4.527 -0.027 7.969 1.00 33.51 N ATOM 0 HA GLN A 17 -3.581 3.206 11.197 1.00 52.31 H new ATOM 0 HB2 GLN A 17 -4.609 2.677 8.392 1.00 2.04 H new ATOM 0 HB3 GLN A 17 -3.197 1.896 9.076 1.00 2.04 H new ATOM 0 HG2 GLN A 17 -4.805 1.160 10.996 1.00 0.32 H new ATOM 0 HG3 GLN A 17 -6.089 1.590 9.884 1.00 0.32 H new ATOM 0 HE21 GLN A 17 -4.379 0.871 7.509 1.00 33.51 H new ATOM 0 HE22 GLN A 17 -4.394 -0.894 7.449 1.00 33.51 H new ATOM 297 N PHE A 18 -3.278 5.410 8.803 1.00 40.25 N ATOM 298 CA PHE A 18 -2.356 6.331 8.143 1.00 40.35 C ATOM 299 C PHE A 18 -1.393 6.975 9.144 1.00 61.23 C ATOM 300 O PHE A 18 -0.213 7.158 8.850 1.00 24.33 O ATOM 301 CB PHE A 18 -3.148 7.408 7.392 1.00 22.02 C ATOM 302 CG PHE A 18 -2.290 8.348 6.595 1.00 0.44 C ATOM 303 CD1 PHE A 18 -1.719 7.942 5.400 1.00 42.42 C ATOM 304 CD2 PHE A 18 -2.055 9.640 7.040 1.00 53.14 C ATOM 305 CE1 PHE A 18 -0.930 8.804 4.664 1.00 63.24 C ATOM 306 CE2 PHE A 18 -1.268 10.506 6.308 1.00 71.53 C ATOM 307 CZ PHE A 18 -0.703 10.088 5.120 1.00 40.51 C ATOM 0 H PHE A 18 -4.262 5.587 8.600 1.00 40.25 H new ATOM 0 HA PHE A 18 -1.757 5.762 7.432 1.00 40.35 H new ATOM 0 HB2 PHE A 18 -3.858 6.923 6.722 1.00 22.02 H new ATOM 0 HB3 PHE A 18 -3.731 7.984 8.111 1.00 22.02 H new ATOM 0 HD1 PHE A 18 -1.893 6.939 5.039 1.00 42.42 H new ATOM 0 HD2 PHE A 18 -2.493 9.972 7.970 1.00 53.14 H new ATOM 0 HE1 PHE A 18 -0.491 8.475 3.734 1.00 63.24 H new ATOM 0 HE2 PHE A 18 -1.094 11.510 6.665 1.00 71.53 H new ATOM 0 HZ PHE A 18 -0.084 10.764 4.548 1.00 40.51 H new ATOM 317 N THR A 19 -1.893 7.295 10.329 1.00 40.43 N ATOM 318 CA THR A 19 -1.075 7.918 11.360 1.00 22.54 C ATOM 319 C THR A 19 -0.167 6.888 12.039 1.00 52.53 C ATOM 320 O THR A 19 0.943 7.208 12.471 1.00 33.15 O ATOM 321 CB THR A 19 -1.961 8.608 12.416 1.00 11.14 C ATOM 322 OG1 THR A 19 -2.912 9.464 11.768 1.00 33.13 O ATOM 323 CG2 THR A 19 -1.116 9.428 13.379 1.00 4.01 C ATOM 0 H THR A 19 -2.863 7.133 10.601 1.00 40.43 H new ATOM 0 HA THR A 19 -0.450 8.669 10.877 1.00 22.54 H new ATOM 0 HB THR A 19 -2.485 7.837 12.981 1.00 11.14 H new ATOM 0 HG1 THR A 19 -3.474 9.899 12.443 1.00 33.13 H new ATOM 0 HG21 THR A 19 -1.763 9.905 14.115 1.00 4.01 H new ATOM 0 HG22 THR A 19 -0.407 8.775 13.888 1.00 4.01 H new ATOM 0 HG23 THR A 19 -0.571 10.192 12.825 1.00 4.01 H new ATOM 331 N PHE A 20 -0.634 5.648 12.104 1.00 73.32 N ATOM 332 CA PHE A 20 0.100 4.580 12.776 1.00 3.51 C ATOM 333 C PHE A 20 1.165 3.987 11.855 1.00 5.20 C ATOM 334 O PHE A 20 2.299 3.743 12.269 1.00 5.45 O ATOM 335 CB PHE A 20 -0.871 3.487 13.236 1.00 75.10 C ATOM 336 CG PHE A 20 -0.210 2.359 13.979 1.00 2.41 C ATOM 337 CD1 PHE A 20 0.188 2.518 15.296 1.00 74.41 C ATOM 338 CD2 PHE A 20 0.013 1.138 13.360 1.00 41.23 C ATOM 339 CE1 PHE A 20 0.795 1.484 15.981 1.00 1.33 C ATOM 340 CE2 PHE A 20 0.618 0.099 14.041 1.00 5.01 C ATOM 341 CZ PHE A 20 1.010 0.273 15.353 1.00 2.10 C ATOM 0 H PHE A 20 -1.522 5.355 11.698 1.00 73.32 H new ATOM 0 HA PHE A 20 0.601 5.002 13.647 1.00 3.51 H new ATOM 0 HB2 PHE A 20 -1.631 3.935 13.877 1.00 75.10 H new ATOM 0 HB3 PHE A 20 -1.387 3.083 12.365 1.00 75.10 H new ATOM 0 HD1 PHE A 20 0.022 3.462 15.793 1.00 74.41 H new ATOM 0 HD2 PHE A 20 -0.290 0.998 12.333 1.00 41.23 H new ATOM 0 HE1 PHE A 20 1.101 1.622 17.007 1.00 1.33 H new ATOM 0 HE2 PHE A 20 0.784 -0.847 13.548 1.00 5.01 H new ATOM 0 HZ PHE A 20 1.484 -0.537 15.888 1.00 2.10 H new ATOM 351 N VAL A 21 0.792 3.769 10.601 1.00 32.24 N ATOM 352 CA VAL A 21 1.694 3.188 9.613 1.00 55.13 C ATOM 353 C VAL A 21 2.795 4.185 9.252 1.00 73.23 C ATOM 354 O VAL A 21 3.849 3.813 8.744 1.00 64.31 O ATOM 355 CB VAL A 21 0.921 2.750 8.343 1.00 50.13 C ATOM 356 CG1 VAL A 21 0.479 3.951 7.519 1.00 33.42 C ATOM 357 CG2 VAL A 21 1.744 1.793 7.498 1.00 50.45 C ATOM 0 H VAL A 21 -0.137 3.988 10.241 1.00 32.24 H new ATOM 0 HA VAL A 21 2.152 2.301 10.050 1.00 55.13 H new ATOM 0 HB VAL A 21 0.026 2.223 8.675 1.00 50.13 H new ATOM 0 HG11 VAL A 21 -0.060 3.608 6.636 1.00 33.42 H new ATOM 0 HG12 VAL A 21 -0.174 4.584 8.120 1.00 33.42 H new ATOM 0 HG13 VAL A 21 1.354 4.523 7.210 1.00 33.42 H new ATOM 0 HG21 VAL A 21 1.174 1.505 6.615 1.00 50.45 H new ATOM 0 HG22 VAL A 21 2.668 2.282 7.190 1.00 50.45 H new ATOM 0 HG23 VAL A 21 1.982 0.904 8.082 1.00 50.45 H new ATOM 367 N PHE A 22 2.535 5.455 9.544 1.00 50.14 N ATOM 368 CA PHE A 22 3.502 6.518 9.321 1.00 10.24 C ATOM 369 C PHE A 22 4.663 6.396 10.307 1.00 21.31 C ATOM 370 O PHE A 22 5.771 6.865 10.044 1.00 50.05 O ATOM 371 CB PHE A 22 2.810 7.878 9.471 1.00 24.33 C ATOM 372 CG PHE A 22 3.709 9.061 9.258 1.00 40.32 C ATOM 373 CD1 PHE A 22 4.121 9.415 7.985 1.00 40.41 C ATOM 374 CD2 PHE A 22 4.132 9.826 10.333 1.00 52.44 C ATOM 375 CE1 PHE A 22 4.941 10.510 7.788 1.00 71.44 C ATOM 376 CE2 PHE A 22 4.953 10.919 10.142 1.00 34.20 C ATOM 377 CZ PHE A 22 5.358 11.262 8.868 1.00 71.23 C ATOM 0 H PHE A 22 1.651 5.773 9.940 1.00 50.14 H new ATOM 0 HA PHE A 22 3.904 6.432 8.311 1.00 10.24 H new ATOM 0 HB2 PHE A 22 1.985 7.932 8.761 1.00 24.33 H new ATOM 0 HB3 PHE A 22 2.376 7.942 10.469 1.00 24.33 H new ATOM 0 HD1 PHE A 22 3.798 8.829 7.137 1.00 40.41 H new ATOM 0 HD2 PHE A 22 3.816 9.564 11.332 1.00 52.44 H new ATOM 0 HE1 PHE A 22 5.255 10.777 6.790 1.00 71.44 H new ATOM 0 HE2 PHE A 22 5.278 11.505 10.989 1.00 34.20 H new ATOM 0 HZ PHE A 22 6.000 12.117 8.716 1.00 71.23 H new ATOM 387 N GLN A 23 4.404 5.747 11.434 1.00 72.04 N ATOM 388 CA GLN A 23 5.417 5.581 12.469 1.00 71.11 C ATOM 389 C GLN A 23 6.336 4.414 12.121 1.00 35.30 C ATOM 390 O GLN A 23 7.535 4.597 11.894 1.00 44.14 O ATOM 391 CB GLN A 23 4.756 5.341 13.832 1.00 60.22 C ATOM 392 CG GLN A 23 3.617 6.304 14.134 1.00 51.44 C ATOM 393 CD GLN A 23 4.037 7.762 14.085 1.00 23.11 C ATOM 394 OE1 GLN A 23 5.172 8.108 14.402 1.00 55.31 O ATOM 395 NE2 GLN A 23 3.125 8.625 13.667 1.00 73.54 N ATOM 0 H GLN A 23 3.501 5.327 11.655 1.00 72.04 H new ATOM 0 HA GLN A 23 6.009 6.494 12.525 1.00 71.11 H new ATOM 0 HB2 GLN A 23 4.377 4.320 13.868 1.00 60.22 H new ATOM 0 HB3 GLN A 23 5.511 5.428 14.613 1.00 60.22 H new ATOM 0 HG2 GLN A 23 2.812 6.140 13.418 1.00 51.44 H new ATOM 0 HG3 GLN A 23 3.214 6.082 15.122 1.00 51.44 H new ATOM 0 HE21 GLN A 23 2.193 8.299 13.413 1.00 73.54 H new ATOM 0 HE22 GLN A 23 3.354 9.617 13.599 1.00 73.54 H new ATOM 404 N GLN A 24 5.760 3.217 12.071 1.00 4.44 N ATOM 405 CA GLN A 24 6.498 2.012 11.709 1.00 1.35 C ATOM 406 C GLN A 24 5.651 1.114 10.817 1.00 32.44 C ATOM 407 O GLN A 24 4.741 0.428 11.290 1.00 71.44 O ATOM 408 CB GLN A 24 6.946 1.243 12.953 1.00 70.03 C ATOM 409 CG GLN A 24 8.279 1.709 13.506 1.00 22.13 C ATOM 410 CD GLN A 24 9.406 1.537 12.504 1.00 44.33 C ATOM 411 OE1 GLN A 24 9.707 2.444 11.727 1.00 62.43 O ATOM 412 NE2 GLN A 24 10.026 0.369 12.504 1.00 61.43 N ATOM 0 H GLN A 24 4.775 3.055 12.279 1.00 4.44 H new ATOM 0 HA GLN A 24 7.387 2.320 11.159 1.00 1.35 H new ATOM 0 HB2 GLN A 24 6.185 1.345 13.727 1.00 70.03 H new ATOM 0 HB3 GLN A 24 7.013 0.183 12.710 1.00 70.03 H new ATOM 0 HG2 GLN A 24 8.205 2.758 13.791 1.00 22.13 H new ATOM 0 HG3 GLN A 24 8.511 1.148 14.411 1.00 22.13 H new ATOM 0 HE21 GLN A 24 9.747 -0.357 13.164 1.00 61.43 H new ATOM 0 HE22 GLN A 24 10.784 0.194 11.844 1.00 61.43 H new ATOM 421 N PRO A 25 5.920 1.138 9.510 1.00 11.43 N ATOM 422 CA PRO A 25 5.186 0.360 8.526 1.00 33.21 C ATOM 423 C PRO A 25 5.868 -0.956 8.163 1.00 43.43 C ATOM 424 O PRO A 25 7.080 -1.111 8.322 1.00 23.10 O ATOM 425 CB PRO A 25 5.208 1.298 7.326 1.00 52.22 C ATOM 426 CG PRO A 25 6.528 2.002 7.415 1.00 54.43 C ATOM 427 CD PRO A 25 6.952 1.965 8.867 1.00 62.33 C ATOM 0 HA PRO A 25 4.199 0.065 8.882 1.00 33.21 H new ATOM 0 HB2 PRO A 25 5.116 0.746 6.391 1.00 52.22 H new ATOM 0 HB3 PRO A 25 4.379 2.005 7.361 1.00 52.22 H new ATOM 0 HG2 PRO A 25 7.270 1.512 6.784 1.00 54.43 H new ATOM 0 HG3 PRO A 25 6.441 3.031 7.065 1.00 54.43 H new ATOM 0 HD2 PRO A 25 7.944 1.529 8.983 1.00 62.33 H new ATOM 0 HD3 PRO A 25 6.990 2.965 9.299 1.00 62.33 H new ATOM 435 N GLN A 26 5.079 -1.904 7.677 1.00 5.42 N ATOM 436 CA GLN A 26 5.629 -3.086 7.041 1.00 51.33 C ATOM 437 C GLN A 26 5.928 -2.738 5.591 1.00 31.32 C ATOM 438 O GLN A 26 5.025 -2.705 4.755 1.00 74.11 O ATOM 439 CB GLN A 26 4.653 -4.266 7.112 1.00 0.43 C ATOM 440 CG GLN A 26 4.282 -4.686 8.528 1.00 30.53 C ATOM 441 CD GLN A 26 5.476 -5.148 9.342 1.00 12.35 C ATOM 442 OE1 GLN A 26 6.120 -4.357 10.030 1.00 15.14 O ATOM 443 NE2 GLN A 26 5.778 -6.435 9.268 1.00 35.14 N ATOM 0 H GLN A 26 4.060 -1.875 7.712 1.00 5.42 H new ATOM 0 HA GLN A 26 6.538 -3.390 7.561 1.00 51.33 H new ATOM 0 HB2 GLN A 26 3.743 -4.003 6.573 1.00 0.43 H new ATOM 0 HB3 GLN A 26 5.094 -5.119 6.596 1.00 0.43 H new ATOM 0 HG2 GLN A 26 3.805 -3.848 9.036 1.00 30.53 H new ATOM 0 HG3 GLN A 26 3.548 -5.490 8.482 1.00 30.53 H new ATOM 0 HE21 GLN A 26 5.218 -7.058 8.685 1.00 35.14 H new ATOM 0 HE22 GLN A 26 6.571 -6.804 9.794 1.00 35.14 H new ATOM 452 N ARG A 27 7.183 -2.430 5.314 1.00 41.21 N ATOM 453 CA ARG A 27 7.568 -1.915 4.010 1.00 50.44 C ATOM 454 C ARG A 27 7.542 -3.024 2.965 1.00 43.00 C ATOM 455 O ARG A 27 8.328 -3.974 3.026 1.00 11.45 O ATOM 456 CB ARG A 27 8.958 -1.272 4.089 1.00 53.53 C ATOM 457 CG ARG A 27 9.247 -0.246 2.995 1.00 75.34 C ATOM 458 CD ARG A 27 9.465 -0.888 1.631 1.00 1.33 C ATOM 459 NE ARG A 27 10.635 -1.764 1.618 1.00 52.53 N ATOM 460 CZ ARG A 27 11.218 -2.214 0.509 1.00 33.32 C ATOM 461 NH1 ARG A 27 10.750 -1.868 -0.684 1.00 42.42 N ATOM 462 NH2 ARG A 27 12.267 -3.018 0.585 1.00 30.33 N ATOM 0 H ARG A 27 7.954 -2.527 5.975 1.00 41.21 H new ATOM 0 HA ARG A 27 6.850 -1.153 3.708 1.00 50.44 H new ATOM 0 HB2 ARG A 27 9.066 -0.788 5.060 1.00 53.53 H new ATOM 0 HB3 ARG A 27 9.711 -2.058 4.039 1.00 53.53 H new ATOM 0 HG2 ARG A 27 8.416 0.457 2.933 1.00 75.34 H new ATOM 0 HG3 ARG A 27 10.132 0.330 3.267 1.00 75.34 H new ATOM 0 HD2 ARG A 27 8.580 -1.461 1.355 1.00 1.33 H new ATOM 0 HD3 ARG A 27 9.588 -0.109 0.879 1.00 1.33 H new ATOM 0 HE ARG A 27 11.029 -2.048 2.515 1.00 52.53 H new ATOM 0 HH11 ARG A 27 9.939 -1.254 -0.755 1.00 42.42 H new ATOM 0 HH12 ARG A 27 11.202 -2.216 -1.530 1.00 42.42 H new ATOM 0 HH21 ARG A 27 12.632 -3.295 1.496 1.00 30.33 H new ATOM 0 HH22 ARG A 27 12.710 -3.360 -0.268 1.00 30.33 H new ATOM 476 N ALA A 28 6.628 -2.897 2.017 1.00 2.15 N ATOM 477 CA ALA A 28 6.517 -3.840 0.918 1.00 25.33 C ATOM 478 C ALA A 28 6.484 -3.095 -0.413 1.00 74.01 C ATOM 479 O ALA A 28 6.621 -1.870 -0.449 1.00 22.04 O ATOM 480 CB ALA A 28 5.270 -4.696 1.084 1.00 62.41 C ATOM 0 H ALA A 28 5.945 -2.140 1.988 1.00 2.15 H new ATOM 0 HA ALA A 28 7.388 -4.495 0.926 1.00 25.33 H new ATOM 0 HB1 ALA A 28 5.198 -5.399 0.254 1.00 62.41 H new ATOM 0 HB2 ALA A 28 5.329 -5.247 2.022 1.00 62.41 H new ATOM 0 HB3 ALA A 28 4.388 -4.056 1.095 1.00 62.41 H new ATOM 486 N GLY A 29 6.312 -3.829 -1.500 1.00 1.01 N ATOM 487 CA GLY A 29 6.224 -3.208 -2.804 1.00 70.35 C ATOM 488 C GLY A 29 7.533 -3.269 -3.558 1.00 40.22 C ATOM 489 O GLY A 29 8.284 -4.233 -3.424 1.00 23.22 O ATOM 0 H GLY A 29 6.232 -4.846 -1.503 1.00 1.01 H new ATOM 0 HA2 GLY A 29 5.448 -3.702 -3.388 1.00 70.35 H new ATOM 0 HA3 GLY A 29 5.922 -2.167 -2.689 1.00 70.35 H new ATOM 493 N THR A 30 7.812 -2.238 -4.340 1.00 54.42 N ATOM 494 CA THR A 30 9.021 -2.188 -5.150 1.00 70.24 C ATOM 495 C THR A 30 9.635 -0.789 -5.093 1.00 70.40 C ATOM 496 O THR A 30 9.018 0.137 -4.563 1.00 42.00 O ATOM 497 CB THR A 30 8.727 -2.551 -6.622 1.00 22.24 C ATOM 498 OG1 THR A 30 7.679 -1.718 -7.136 1.00 10.41 O ATOM 499 CG2 THR A 30 8.338 -4.015 -6.768 1.00 42.52 C ATOM 0 H THR A 30 7.213 -1.418 -4.432 1.00 54.42 H new ATOM 0 HA THR A 30 9.721 -2.918 -4.743 1.00 70.24 H new ATOM 0 HB THR A 30 9.640 -2.384 -7.194 1.00 22.24 H new ATOM 0 HG1 THR A 30 7.391 -2.056 -8.010 1.00 10.41 H new ATOM 0 HG21 THR A 30 8.138 -4.236 -7.817 1.00 42.52 H new ATOM 0 HG22 THR A 30 9.154 -4.645 -6.414 1.00 42.52 H new ATOM 0 HG23 THR A 30 7.443 -4.214 -6.178 1.00 42.52 H new ATOM 507 N PRO A 31 10.859 -0.610 -5.625 1.00 31.40 N ATOM 508 CA PRO A 31 11.494 0.713 -5.724 1.00 24.44 C ATOM 509 C PRO A 31 10.705 1.680 -6.613 1.00 33.44 C ATOM 510 O PRO A 31 10.924 2.891 -6.570 1.00 13.00 O ATOM 511 CB PRO A 31 12.864 0.418 -6.347 1.00 33.12 C ATOM 512 CG PRO A 31 13.098 -1.030 -6.094 1.00 20.50 C ATOM 513 CD PRO A 31 11.743 -1.674 -6.130 1.00 24.23 C ATOM 0 HA PRO A 31 11.550 1.201 -4.751 1.00 24.44 H new ATOM 0 HB2 PRO A 31 12.868 0.638 -7.415 1.00 33.12 H new ATOM 0 HB3 PRO A 31 13.644 1.029 -5.893 1.00 33.12 H new ATOM 0 HG2 PRO A 31 13.755 -1.458 -6.851 1.00 20.50 H new ATOM 0 HG3 PRO A 31 13.580 -1.186 -5.129 1.00 20.50 H new ATOM 0 HD2 PRO A 31 11.469 -1.982 -7.139 1.00 24.23 H new ATOM 0 HD3 PRO A 31 11.702 -2.565 -5.503 1.00 24.23 H new ATOM 521 N GLN A 32 9.798 1.138 -7.423 1.00 73.41 N ATOM 522 CA GLN A 32 8.946 1.961 -8.280 1.00 43.42 C ATOM 523 C GLN A 32 7.719 2.434 -7.512 1.00 3.42 C ATOM 524 O GLN A 32 7.292 3.581 -7.642 1.00 60.12 O ATOM 525 CB GLN A 32 8.492 1.191 -9.529 1.00 1.31 C ATOM 526 CG GLN A 32 9.621 0.825 -10.486 1.00 21.33 C ATOM 527 CD GLN A 32 10.457 -0.359 -10.029 1.00 14.13 C ATOM 528 OE1 GLN A 32 11.658 -0.413 -10.285 1.00 41.11 O ATOM 529 NE2 GLN A 32 9.834 -1.333 -9.379 1.00 33.21 N ATOM 0 H GLN A 32 9.634 0.135 -7.504 1.00 73.41 H new ATOM 0 HA GLN A 32 9.537 2.820 -8.596 1.00 43.42 H new ATOM 0 HB2 GLN A 32 7.988 0.277 -9.215 1.00 1.31 H new ATOM 0 HB3 GLN A 32 7.758 1.792 -10.065 1.00 1.31 H new ATOM 0 HG2 GLN A 32 9.196 0.601 -11.465 1.00 21.33 H new ATOM 0 HG3 GLN A 32 10.272 1.690 -10.612 1.00 21.33 H new ATOM 0 HE21 GLN A 32 8.836 -1.258 -9.182 1.00 33.21 H new ATOM 0 HE22 GLN A 32 10.353 -2.157 -9.076 1.00 33.21 H new ATOM 538 N ILE A 33 7.161 1.541 -6.713 1.00 21.41 N ATOM 539 CA ILE A 33 5.951 1.827 -5.961 1.00 2.43 C ATOM 540 C ILE A 33 6.002 1.128 -4.602 1.00 45.31 C ATOM 541 O ILE A 33 6.107 -0.097 -4.517 1.00 62.21 O ATOM 542 CB ILE A 33 4.691 1.410 -6.762 1.00 20.32 C ATOM 543 CG1 ILE A 33 3.418 1.647 -5.946 1.00 51.14 C ATOM 544 CG2 ILE A 33 4.784 -0.044 -7.212 1.00 55.13 C ATOM 545 CD1 ILE A 33 2.147 1.348 -6.713 1.00 32.00 C ATOM 0 H ILE A 33 7.531 0.602 -6.567 1.00 21.41 H new ATOM 0 HA ILE A 33 5.889 2.902 -5.792 1.00 2.43 H new ATOM 0 HB ILE A 33 4.641 2.035 -7.653 1.00 20.32 H new ATOM 0 HG12 ILE A 33 3.448 1.025 -5.051 1.00 51.14 H new ATOM 0 HG13 ILE A 33 3.397 2.685 -5.613 1.00 51.14 H new ATOM 0 HG21 ILE A 33 3.887 -0.310 -7.771 1.00 55.13 H new ATOM 0 HG22 ILE A 33 5.660 -0.173 -7.848 1.00 55.13 H new ATOM 0 HG23 ILE A 33 4.872 -0.690 -6.339 1.00 55.13 H new ATOM 0 HD11 ILE A 33 1.284 1.537 -6.075 1.00 32.00 H new ATOM 0 HD12 ILE A 33 2.094 1.988 -7.594 1.00 32.00 H new ATOM 0 HD13 ILE A 33 2.147 0.303 -7.023 1.00 32.00 H new ATOM 557 N THR A 34 5.952 1.919 -3.542 1.00 50.15 N ATOM 558 CA THR A 34 6.154 1.409 -2.194 1.00 55.20 C ATOM 559 C THR A 34 4.829 1.255 -1.451 1.00 42.35 C ATOM 560 O THR A 34 3.998 2.159 -1.453 1.00 72.34 O ATOM 561 CB THR A 34 7.081 2.351 -1.402 1.00 64.23 C ATOM 562 OG1 THR A 34 8.269 2.604 -2.163 1.00 45.35 O ATOM 563 CG2 THR A 34 7.462 1.749 -0.057 1.00 51.13 C ATOM 0 H THR A 34 5.772 2.922 -3.589 1.00 50.15 H new ATOM 0 HA THR A 34 6.616 0.426 -2.279 1.00 55.20 H new ATOM 0 HB THR A 34 6.545 3.283 -1.221 1.00 64.23 H new ATOM 0 HG1 THR A 34 8.978 2.922 -1.566 1.00 45.35 H new ATOM 0 HG21 THR A 34 8.116 2.438 0.478 1.00 51.13 H new ATOM 0 HG22 THR A 34 6.561 1.574 0.531 1.00 51.13 H new ATOM 0 HG23 THR A 34 7.982 0.804 -0.215 1.00 51.13 H new ATOM 571 N ILE A 35 4.638 0.108 -0.819 1.00 31.34 N ATOM 572 CA ILE A 35 3.425 -0.149 -0.060 1.00 34.21 C ATOM 573 C ILE A 35 3.737 -0.197 1.433 1.00 22.33 C ATOM 574 O ILE A 35 4.588 -0.971 1.878 1.00 13.31 O ATOM 575 CB ILE A 35 2.733 -1.474 -0.487 1.00 32.23 C ATOM 576 CG1 ILE A 35 2.115 -1.360 -1.889 1.00 74.23 C ATOM 577 CG2 ILE A 35 1.662 -1.875 0.520 1.00 33.32 C ATOM 578 CD1 ILE A 35 3.119 -1.407 -3.023 1.00 70.42 C ATOM 0 H ILE A 35 5.309 -0.661 -0.817 1.00 31.34 H new ATOM 0 HA ILE A 35 2.737 0.670 -0.270 1.00 34.21 H new ATOM 0 HB ILE A 35 3.502 -2.246 -0.514 1.00 32.23 H new ATOM 0 HG12 ILE A 35 1.397 -2.169 -2.023 1.00 74.23 H new ATOM 0 HG13 ILE A 35 1.558 -0.425 -1.952 1.00 74.23 H new ATOM 0 HG21 ILE A 35 1.192 -2.805 0.200 1.00 33.32 H new ATOM 0 HG22 ILE A 35 2.119 -2.018 1.499 1.00 33.32 H new ATOM 0 HG23 ILE A 35 0.908 -1.090 0.582 1.00 33.32 H new ATOM 0 HD11 ILE A 35 2.596 -1.320 -3.976 1.00 70.42 H new ATOM 0 HD12 ILE A 35 3.824 -0.582 -2.919 1.00 70.42 H new ATOM 0 HD13 ILE A 35 3.660 -2.353 -2.991 1.00 70.42 H new ATOM 590 N LEU A 36 3.065 0.651 2.194 1.00 53.32 N ATOM 591 CA LEU A 36 3.192 0.655 3.643 1.00 4.11 C ATOM 592 C LEU A 36 2.031 -0.117 4.252 1.00 35.23 C ATOM 593 O LEU A 36 0.877 0.313 4.173 1.00 64.02 O ATOM 594 CB LEU A 36 3.216 2.089 4.192 1.00 61.22 C ATOM 595 CG LEU A 36 4.518 2.874 3.975 1.00 64.45 C ATOM 596 CD1 LEU A 36 4.742 3.186 2.502 1.00 13.41 C ATOM 597 CD2 LEU A 36 4.496 4.158 4.786 1.00 63.22 C ATOM 0 H LEU A 36 2.420 1.352 1.829 1.00 53.32 H new ATOM 0 HA LEU A 36 4.134 0.177 3.912 1.00 4.11 H new ATOM 0 HB2 LEU A 36 2.399 2.646 3.733 1.00 61.22 H new ATOM 0 HB3 LEU A 36 3.013 2.050 5.262 1.00 61.22 H new ATOM 0 HG LEU A 36 5.345 2.250 4.313 1.00 64.45 H new ATOM 0 HD11 LEU A 36 5.672 3.742 2.385 1.00 13.41 H new ATOM 0 HD12 LEU A 36 4.802 2.255 1.938 1.00 13.41 H new ATOM 0 HD13 LEU A 36 3.912 3.784 2.127 1.00 13.41 H new ATOM 0 HD21 LEU A 36 5.424 4.706 4.624 1.00 63.22 H new ATOM 0 HD22 LEU A 36 3.652 4.772 4.472 1.00 63.22 H new ATOM 0 HD23 LEU A 36 4.396 3.918 5.845 1.00 63.22 H new ATOM 609 N GLY A 37 2.332 -1.263 4.841 1.00 4.42 N ATOM 610 CA GLY A 37 1.281 -2.123 5.339 1.00 21.13 C ATOM 611 C GLY A 37 1.204 -2.192 6.851 1.00 30.22 C ATOM 612 O GLY A 37 2.226 -2.237 7.538 1.00 64.35 O ATOM 0 H GLY A 37 3.280 -1.612 4.983 1.00 4.42 H new ATOM 0 HA2 GLY A 37 0.324 -1.771 4.953 1.00 21.13 H new ATOM 0 HA3 GLY A 37 1.433 -3.129 4.947 1.00 21.13 H new ATOM 616 N ARG A 38 -0.020 -2.172 7.358 1.00 43.12 N ATOM 617 CA ARG A 38 -0.310 -2.446 8.760 1.00 75.21 C ATOM 618 C ARG A 38 -1.678 -3.107 8.848 1.00 62.15 C ATOM 619 O ARG A 38 -2.493 -2.953 7.941 1.00 64.04 O ATOM 620 CB ARG A 38 -0.262 -1.172 9.615 1.00 11.24 C ATOM 621 CG ARG A 38 1.127 -0.844 10.149 1.00 3.33 C ATOM 622 CD ARG A 38 1.676 -1.983 11.001 1.00 62.54 C ATOM 623 NE ARG A 38 2.995 -1.683 11.563 1.00 34.24 N ATOM 624 CZ ARG A 38 3.726 -2.556 12.262 1.00 53.15 C ATOM 625 NH1 ARG A 38 3.283 -3.794 12.463 1.00 11.34 N ATOM 626 NH2 ARG A 38 4.902 -2.188 12.755 1.00 41.22 N ATOM 0 H ARG A 38 -0.849 -1.963 6.802 1.00 43.12 H new ATOM 0 HA ARG A 38 0.455 -3.114 9.157 1.00 75.21 H new ATOM 0 HB2 ARG A 38 -0.620 -0.332 9.020 1.00 11.24 H new ATOM 0 HB3 ARG A 38 -0.948 -1.283 10.455 1.00 11.24 H new ATOM 0 HG2 ARG A 38 1.803 -0.652 9.316 1.00 3.33 H new ATOM 0 HG3 ARG A 38 1.084 0.069 10.743 1.00 3.33 H new ATOM 0 HD2 ARG A 38 0.979 -2.193 11.812 1.00 62.54 H new ATOM 0 HD3 ARG A 38 1.741 -2.886 10.395 1.00 62.54 H new ATOM 0 HE ARG A 38 3.379 -0.750 11.411 1.00 34.24 H new ATOM 0 HH11 ARG A 38 2.381 -4.081 12.083 1.00 11.34 H new ATOM 0 HH12 ARG A 38 3.845 -4.456 12.997 1.00 11.34 H new ATOM 0 HH21 ARG A 38 5.246 -1.240 12.600 1.00 41.22 H new ATOM 0 HH22 ARG A 38 5.462 -2.853 13.289 1.00 41.22 H new ATOM 640 N LEU A 39 -1.929 -3.842 9.918 1.00 2.12 N ATOM 641 CA LEU A 39 -3.137 -4.648 9.999 1.00 24.34 C ATOM 642 C LEU A 39 -3.978 -4.286 11.214 1.00 31.32 C ATOM 643 O LEU A 39 -3.460 -4.083 12.314 1.00 41.23 O ATOM 644 CB LEU A 39 -2.796 -6.148 10.020 1.00 61.22 C ATOM 645 CG LEU A 39 -2.064 -6.664 11.267 1.00 11.44 C ATOM 646 CD1 LEU A 39 -2.109 -8.180 11.311 1.00 14.32 C ATOM 647 CD2 LEU A 39 -0.617 -6.193 11.290 1.00 11.15 C ATOM 0 H LEU A 39 -1.321 -3.898 10.735 1.00 2.12 H new ATOM 0 HA LEU A 39 -3.726 -4.432 9.107 1.00 24.34 H new ATOM 0 HB2 LEU A 39 -3.723 -6.711 9.911 1.00 61.22 H new ATOM 0 HB3 LEU A 39 -2.183 -6.371 9.147 1.00 61.22 H new ATOM 0 HG LEU A 39 -2.571 -6.261 12.143 1.00 11.44 H new ATOM 0 HD11 LEU A 39 -1.587 -8.534 12.200 1.00 14.32 H new ATOM 0 HD12 LEU A 39 -3.147 -8.512 11.343 1.00 14.32 H new ATOM 0 HD13 LEU A 39 -1.626 -8.584 10.421 1.00 14.32 H new ATOM 0 HD21 LEU A 39 -0.124 -6.574 12.185 1.00 11.15 H new ATOM 0 HD22 LEU A 39 -0.100 -6.564 10.405 1.00 11.15 H new ATOM 0 HD23 LEU A 39 -0.589 -5.103 11.297 1.00 11.15 H new ATOM 659 N ASN A 40 -5.278 -4.188 10.982 1.00 33.53 N ATOM 660 CA ASN A 40 -6.260 -3.988 12.038 1.00 50.04 C ATOM 661 C ASN A 40 -7.615 -4.464 11.540 1.00 14.24 C ATOM 662 O ASN A 40 -8.006 -4.167 10.410 1.00 24.34 O ATOM 663 CB ASN A 40 -6.338 -2.516 12.463 1.00 31.02 C ATOM 664 CG ASN A 40 -7.369 -2.276 13.556 1.00 73.41 C ATOM 665 OD1 ASN A 40 -8.534 -1.985 13.283 1.00 74.23 O ATOM 666 ND2 ASN A 40 -6.943 -2.393 14.806 1.00 43.33 N ATOM 0 H ASN A 40 -5.685 -4.245 10.048 1.00 33.53 H new ATOM 0 HA ASN A 40 -5.958 -4.562 12.914 1.00 50.04 H new ATOM 0 HB2 ASN A 40 -5.359 -2.191 12.815 1.00 31.02 H new ATOM 0 HB3 ASN A 40 -6.584 -1.904 11.595 1.00 31.02 H new ATOM 0 HD21 ASN A 40 -7.588 -2.240 15.581 1.00 43.33 H new ATOM 0 HD22 ASN A 40 -5.970 -2.636 14.993 1.00 43.33 H new ATOM 673 N SER A 41 -8.316 -5.222 12.367 1.00 61.20 N ATOM 674 CA SER A 41 -9.604 -5.763 11.977 1.00 71.04 C ATOM 675 C SER A 41 -10.683 -4.696 12.127 1.00 43.31 C ATOM 676 O SER A 41 -11.379 -4.628 13.142 1.00 31.04 O ATOM 677 CB SER A 41 -9.940 -7.007 12.806 1.00 4.41 C ATOM 678 OG SER A 41 -10.994 -7.746 12.214 1.00 63.00 O ATOM 0 H SER A 41 -8.015 -5.475 13.308 1.00 61.20 H new ATOM 0 HA SER A 41 -9.559 -6.064 10.930 1.00 71.04 H new ATOM 0 HB2 SER A 41 -9.055 -7.638 12.896 1.00 4.41 H new ATOM 0 HB3 SER A 41 -10.223 -6.709 13.816 1.00 4.41 H new ATOM 0 HG SER A 41 -11.188 -8.535 12.762 1.00 63.00 H new ATOM 684 N LEU A 42 -10.779 -3.842 11.120 1.00 63.04 N ATOM 685 CA LEU A 42 -11.728 -2.743 11.129 1.00 62.45 C ATOM 686 C LEU A 42 -12.961 -3.102 10.307 1.00 54.12 C ATOM 687 O LEU A 42 -13.990 -2.426 10.368 1.00 42.41 O ATOM 688 CB LEU A 42 -11.058 -1.483 10.569 1.00 12.40 C ATOM 689 CG LEU A 42 -11.860 -0.188 10.706 1.00 45.23 C ATOM 690 CD1 LEU A 42 -12.074 0.154 12.172 1.00 42.42 C ATOM 691 CD2 LEU A 42 -11.146 0.948 9.994 1.00 73.31 C ATOM 0 H LEU A 42 -10.204 -3.891 10.279 1.00 63.04 H new ATOM 0 HA LEU A 42 -12.045 -2.551 12.154 1.00 62.45 H new ATOM 0 HB2 LEU A 42 -10.100 -1.350 11.071 1.00 12.40 H new ATOM 0 HB3 LEU A 42 -10.845 -1.646 9.513 1.00 12.40 H new ATOM 0 HG LEU A 42 -12.836 -0.332 10.242 1.00 45.23 H new ATOM 0 HD11 LEU A 42 -12.646 1.078 12.250 1.00 42.42 H new ATOM 0 HD12 LEU A 42 -12.621 -0.654 12.658 1.00 42.42 H new ATOM 0 HD13 LEU A 42 -11.108 0.283 12.660 1.00 42.42 H new ATOM 0 HD21 LEU A 42 -11.726 1.865 10.098 1.00 73.31 H new ATOM 0 HD22 LEU A 42 -10.159 1.091 10.435 1.00 73.31 H new ATOM 0 HD23 LEU A 42 -11.039 0.705 8.937 1.00 73.31 H new ATOM 703 N GLY A 43 -12.848 -4.177 9.540 1.00 32.13 N ATOM 704 CA GLY A 43 -13.937 -4.599 8.687 1.00 20.11 C ATOM 705 C GLY A 43 -13.939 -3.857 7.370 1.00 74.32 C ATOM 706 O GLY A 43 -13.545 -4.402 6.341 1.00 1.40 O ATOM 0 H GLY A 43 -12.017 -4.766 9.494 1.00 32.13 H new ATOM 0 HA2 GLY A 43 -13.858 -5.670 8.501 1.00 20.11 H new ATOM 0 HA3 GLY A 43 -14.885 -4.433 9.199 1.00 20.11 H new ATOM 710 N HIS A 44 -14.372 -2.604 7.408 1.00 61.13 N ATOM 711 CA HIS A 44 -14.388 -1.763 6.216 1.00 22.24 C ATOM 712 C HIS A 44 -13.037 -1.068 6.042 1.00 63.01 C ATOM 713 O HIS A 44 -12.619 -0.274 6.887 1.00 60.23 O ATOM 714 CB HIS A 44 -15.543 -0.743 6.267 1.00 72.03 C ATOM 715 CG HIS A 44 -15.489 0.236 7.409 1.00 22.44 C ATOM 716 ND1 HIS A 44 -15.673 1.591 7.240 1.00 52.31 N ATOM 717 CD2 HIS A 44 -15.301 0.051 8.740 1.00 73.21 C ATOM 718 CE1 HIS A 44 -15.596 2.194 8.411 1.00 12.41 C ATOM 719 NE2 HIS A 44 -15.371 1.285 9.334 1.00 72.04 N ATOM 0 H HIS A 44 -14.717 -2.146 8.251 1.00 61.13 H new ATOM 0 HA HIS A 44 -14.559 -2.399 5.348 1.00 22.24 H new ATOM 0 HB2 HIS A 44 -15.553 -0.184 5.331 1.00 72.03 H new ATOM 0 HB3 HIS A 44 -16.485 -1.289 6.322 1.00 72.03 H new ATOM 0 HD2 HIS A 44 -15.129 -0.892 9.238 1.00 73.21 H new ATOM 0 HE1 HIS A 44 -15.700 3.255 8.582 1.00 12.41 H new ATOM 0 HE2 HIS A 44 -15.265 1.468 10.332 1.00 72.04 H new ATOM 728 N PRO A 45 -12.329 -1.386 4.950 1.00 24.43 N ATOM 729 CA PRO A 45 -10.976 -0.902 4.710 1.00 13.24 C ATOM 730 C PRO A 45 -10.921 0.414 3.937 1.00 23.03 C ATOM 731 O PRO A 45 -11.940 0.929 3.471 1.00 60.13 O ATOM 732 CB PRO A 45 -10.385 -2.026 3.869 1.00 62.11 C ATOM 733 CG PRO A 45 -11.532 -2.541 3.062 1.00 23.12 C ATOM 734 CD PRO A 45 -12.789 -2.260 3.855 1.00 11.20 C ATOM 0 HA PRO A 45 -10.451 -0.685 5.640 1.00 13.24 H new ATOM 0 HB2 PRO A 45 -9.583 -1.661 3.228 1.00 62.11 H new ATOM 0 HB3 PRO A 45 -9.960 -2.809 4.497 1.00 62.11 H new ATOM 0 HG2 PRO A 45 -11.571 -2.050 2.090 1.00 23.12 H new ATOM 0 HG3 PRO A 45 -11.424 -3.609 2.875 1.00 23.12 H new ATOM 0 HD2 PRO A 45 -13.546 -1.769 3.243 1.00 11.20 H new ATOM 0 HD3 PRO A 45 -13.234 -3.179 4.237 1.00 11.20 H new ATOM 742 N ARG A 46 -9.716 0.948 3.814 1.00 64.32 N ATOM 743 CA ARG A 46 -9.462 2.132 3.009 1.00 44.11 C ATOM 744 C ARG A 46 -8.387 1.797 1.984 1.00 63.14 C ATOM 745 O ARG A 46 -7.833 0.697 2.008 1.00 43.43 O ATOM 746 CB ARG A 46 -8.986 3.299 3.883 1.00 61.43 C ATOM 747 CG ARG A 46 -9.924 3.673 5.022 1.00 35.44 C ATOM 748 CD ARG A 46 -11.121 4.478 4.540 1.00 13.15 C ATOM 749 NE ARG A 46 -12.057 3.683 3.747 1.00 24.13 N ATOM 750 CZ ARG A 46 -13.183 4.165 3.232 1.00 24.43 C ATOM 751 NH1 ARG A 46 -13.524 5.431 3.446 1.00 51.12 N ATOM 752 NH2 ARG A 46 -13.977 3.376 2.520 1.00 44.23 N ATOM 0 H ARG A 46 -8.885 0.572 4.271 1.00 64.32 H new ATOM 0 HA ARG A 46 -10.386 2.432 2.515 1.00 44.11 H new ATOM 0 HB2 ARG A 46 -8.012 3.046 4.302 1.00 61.43 H new ATOM 0 HB3 ARG A 46 -8.842 4.174 3.249 1.00 61.43 H new ATOM 0 HG2 ARG A 46 -10.273 2.766 5.515 1.00 35.44 H new ATOM 0 HG3 ARG A 46 -9.376 4.250 5.767 1.00 35.44 H new ATOM 0 HD2 ARG A 46 -11.644 4.894 5.401 1.00 13.15 H new ATOM 0 HD3 ARG A 46 -10.770 5.320 3.943 1.00 13.15 H new ATOM 0 HE ARG A 46 -11.833 2.702 3.579 1.00 24.13 H new ATOM 0 HH11 ARG A 46 -12.921 6.034 4.006 1.00 51.12 H new ATOM 0 HH12 ARG A 46 -14.389 5.800 3.050 1.00 51.12 H new ATOM 0 HH21 ARG A 46 -13.723 2.400 2.368 1.00 44.23 H new ATOM 0 HH22 ARG A 46 -14.842 3.745 2.124 1.00 44.23 H new ATOM 766 N ILE A 47 -8.092 2.723 1.087 1.00 40.24 N ATOM 767 CA ILE A 47 -6.993 2.528 0.158 1.00 3.12 C ATOM 768 C ILE A 47 -6.155 3.805 0.056 1.00 74.40 C ATOM 769 O ILE A 47 -6.559 4.801 -0.555 1.00 11.03 O ATOM 770 CB ILE A 47 -7.478 2.051 -1.242 1.00 73.35 C ATOM 771 CG1 ILE A 47 -6.276 1.771 -2.155 1.00 63.12 C ATOM 772 CG2 ILE A 47 -8.432 3.054 -1.886 1.00 32.22 C ATOM 773 CD1 ILE A 47 -6.661 1.301 -3.541 1.00 71.33 C ATOM 0 H ILE A 47 -8.591 3.606 0.983 1.00 40.24 H new ATOM 0 HA ILE A 47 -6.364 1.729 0.552 1.00 3.12 H new ATOM 0 HB ILE A 47 -8.035 1.125 -1.103 1.00 73.35 H new ATOM 0 HG12 ILE A 47 -5.678 2.678 -2.242 1.00 63.12 H new ATOM 0 HG13 ILE A 47 -5.644 1.016 -1.687 1.00 63.12 H new ATOM 0 HG21 ILE A 47 -8.746 2.683 -2.861 1.00 32.22 H new ATOM 0 HG22 ILE A 47 -9.306 3.185 -1.249 1.00 32.22 H new ATOM 0 HG23 ILE A 47 -7.925 4.011 -2.009 1.00 32.22 H new ATOM 0 HD11 ILE A 47 -5.760 1.124 -4.128 1.00 71.33 H new ATOM 0 HD12 ILE A 47 -7.233 0.376 -3.466 1.00 71.33 H new ATOM 0 HD13 ILE A 47 -7.267 2.064 -4.029 1.00 71.33 H new ATOM 785 N GLY A 48 -5.005 3.785 0.710 1.00 3.41 N ATOM 786 CA GLY A 48 -4.132 4.937 0.702 1.00 24.25 C ATOM 787 C GLY A 48 -3.309 5.006 -0.559 1.00 3.11 C ATOM 788 O GLY A 48 -2.752 4.000 -0.999 1.00 73.32 O ATOM 0 H GLY A 48 -4.660 2.989 1.247 1.00 3.41 H new ATOM 0 HA2 GLY A 48 -4.727 5.845 0.798 1.00 24.25 H new ATOM 0 HA3 GLY A 48 -3.470 4.897 1.567 1.00 24.25 H new ATOM 792 N LEU A 49 -3.234 6.185 -1.147 1.00 22.54 N ATOM 793 CA LEU A 49 -2.494 6.375 -2.380 1.00 3.12 C ATOM 794 C LEU A 49 -1.814 7.734 -2.375 1.00 0.21 C ATOM 795 O LEU A 49 -2.385 8.733 -2.813 1.00 10.01 O ATOM 796 CB LEU A 49 -3.422 6.244 -3.591 1.00 34.40 C ATOM 797 CG LEU A 49 -2.728 6.276 -4.954 1.00 14.42 C ATOM 798 CD1 LEU A 49 -1.795 5.085 -5.111 1.00 33.53 C ATOM 799 CD2 LEU A 49 -3.755 6.293 -6.072 1.00 44.25 C ATOM 0 H LEU A 49 -3.679 7.030 -0.788 1.00 22.54 H new ATOM 0 HA LEU A 49 -1.730 5.601 -2.451 1.00 3.12 H new ATOM 0 HB2 LEU A 49 -3.974 5.308 -3.505 1.00 34.40 H new ATOM 0 HB3 LEU A 49 -4.154 7.051 -3.556 1.00 34.40 H new ATOM 0 HG LEU A 49 -2.134 7.188 -5.013 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -1.312 5.127 -6.087 1.00 33.53 H new ATOM 0 HD12 LEU A 49 -1.036 5.112 -4.329 1.00 33.53 H new ATOM 0 HD13 LEU A 49 -2.368 4.161 -5.029 1.00 33.53 H new ATOM 0 HD21 LEU A 49 -3.244 6.316 -7.035 1.00 44.25 H new ATOM 0 HD22 LEU A 49 -4.374 5.398 -6.011 1.00 44.25 H new ATOM 0 HD23 LEU A 49 -4.385 7.177 -5.974 1.00 44.25 H new ATOM 811 N THR A 50 -0.602 7.768 -1.855 1.00 22.14 N ATOM 812 CA THR A 50 0.147 9.000 -1.760 1.00 40.53 C ATOM 813 C THR A 50 0.971 9.214 -3.024 1.00 35.01 C ATOM 814 O THR A 50 2.097 8.730 -3.145 1.00 12.00 O ATOM 815 CB THR A 50 1.065 8.996 -0.525 1.00 5.31 C ATOM 816 OG1 THR A 50 0.309 8.614 0.634 1.00 31.12 O ATOM 817 CG2 THR A 50 1.681 10.370 -0.299 1.00 25.31 C ATOM 0 H THR A 50 -0.115 6.949 -1.490 1.00 22.14 H new ATOM 0 HA THR A 50 -0.563 9.820 -1.654 1.00 40.53 H new ATOM 0 HB THR A 50 1.869 8.281 -0.697 1.00 5.31 H new ATOM 0 HG1 THR A 50 0.895 8.610 1.420 1.00 31.12 H new ATOM 0 HG21 THR A 50 2.325 10.340 0.580 1.00 25.31 H new ATOM 0 HG22 THR A 50 2.270 10.653 -1.171 1.00 25.31 H new ATOM 0 HG23 THR A 50 0.889 11.103 -0.143 1.00 25.31 H new ATOM 825 N VAL A 51 0.376 9.904 -3.982 1.00 13.33 N ATOM 826 CA VAL A 51 1.054 10.218 -5.227 1.00 2.34 C ATOM 827 C VAL A 51 1.647 11.619 -5.157 1.00 3.32 C ATOM 828 O VAL A 51 0.921 12.613 -5.100 1.00 45.41 O ATOM 829 CB VAL A 51 0.091 10.117 -6.431 1.00 2.13 C ATOM 830 CG1 VAL A 51 0.802 10.471 -7.729 1.00 52.12 C ATOM 831 CG2 VAL A 51 -0.512 8.724 -6.517 1.00 53.34 C ATOM 0 H VAL A 51 -0.579 10.258 -3.920 1.00 13.33 H new ATOM 0 HA VAL A 51 1.853 9.490 -5.369 1.00 2.34 H new ATOM 0 HB VAL A 51 -0.715 10.835 -6.280 1.00 2.13 H new ATOM 0 HG11 VAL A 51 0.102 10.392 -8.561 1.00 52.12 H new ATOM 0 HG12 VAL A 51 1.181 11.491 -7.670 1.00 52.12 H new ATOM 0 HG13 VAL A 51 1.633 9.784 -7.888 1.00 52.12 H new ATOM 0 HG21 VAL A 51 -1.187 8.672 -7.371 1.00 53.34 H new ATOM 0 HG22 VAL A 51 0.284 7.990 -6.639 1.00 53.34 H new ATOM 0 HG23 VAL A 51 -1.066 8.510 -5.603 1.00 53.34 H new ATOM 841 N ALA A 52 2.969 11.692 -5.136 1.00 14.13 N ATOM 842 CA ALA A 52 3.655 12.968 -5.078 1.00 73.22 C ATOM 843 C ALA A 52 3.666 13.623 -6.451 1.00 51.40 C ATOM 844 O ALA A 52 4.118 13.033 -7.427 1.00 21.12 O ATOM 845 CB ALA A 52 5.072 12.787 -4.557 1.00 20.34 C ATOM 0 H ALA A 52 3.586 10.880 -5.158 1.00 14.13 H new ATOM 0 HA ALA A 52 3.120 13.621 -4.389 1.00 73.22 H new ATOM 0 HB1 ALA A 52 5.572 13.755 -4.520 1.00 20.34 H new ATOM 0 HB2 ALA A 52 5.039 12.357 -3.556 1.00 20.34 H new ATOM 0 HB3 ALA A 52 5.621 12.120 -5.221 1.00 20.34 H new ATOM 851 N LYS A 53 3.193 14.855 -6.517 1.00 74.23 N ATOM 852 CA LYS A 53 3.067 15.556 -7.790 1.00 55.33 C ATOM 853 C LYS A 53 4.419 16.082 -8.257 1.00 50.21 C ATOM 854 O LYS A 53 4.516 16.783 -9.266 1.00 22.43 O ATOM 855 CB LYS A 53 2.060 16.699 -7.671 1.00 55.44 C ATOM 856 CG LYS A 53 0.668 16.233 -7.270 1.00 31.52 C ATOM 857 CD LYS A 53 -0.324 17.385 -7.230 1.00 13.33 C ATOM 858 CE LYS A 53 -0.530 17.995 -8.606 1.00 71.42 C ATOM 859 NZ LYS A 53 -1.524 19.097 -8.576 1.00 42.24 N ATOM 0 H LYS A 53 2.889 15.394 -5.706 1.00 74.23 H new ATOM 0 HA LYS A 53 2.704 14.848 -8.535 1.00 55.33 H new ATOM 0 HB2 LYS A 53 2.421 17.418 -6.935 1.00 55.44 H new ATOM 0 HB3 LYS A 53 2.000 17.222 -8.625 1.00 55.44 H new ATOM 0 HG2 LYS A 53 0.320 15.478 -7.975 1.00 31.52 H new ATOM 0 HG3 LYS A 53 0.712 15.757 -6.290 1.00 31.52 H new ATOM 0 HD2 LYS A 53 -1.279 17.030 -6.842 1.00 13.33 H new ATOM 0 HD3 LYS A 53 0.035 18.151 -6.542 1.00 13.33 H new ATOM 0 HE2 LYS A 53 0.421 18.373 -8.982 1.00 71.42 H new ATOM 0 HE3 LYS A 53 -0.863 17.223 -9.300 1.00 71.42 H new ATOM 0 HZ1 LYS A 53 -1.638 19.488 -9.533 1.00 42.24 H new ATOM 0 HZ2 LYS A 53 -2.438 18.731 -8.241 1.00 42.24 H new ATOM 0 HZ3 LYS A 53 -1.194 19.845 -7.933 1.00 42.24 H new ATOM 873 N LYS A 54 5.460 15.740 -7.511 1.00 34.11 N ATOM 874 CA LYS A 54 6.820 16.088 -7.886 1.00 35.05 C ATOM 875 C LYS A 54 7.460 14.947 -8.671 1.00 14.52 C ATOM 876 O LYS A 54 8.425 15.153 -9.411 1.00 74.33 O ATOM 877 CB LYS A 54 7.657 16.404 -6.644 1.00 44.41 C ATOM 878 CG LYS A 54 7.844 15.217 -5.711 1.00 65.30 C ATOM 879 CD LYS A 54 8.761 15.559 -4.547 1.00 53.02 C ATOM 880 CE LYS A 54 10.102 16.097 -5.030 1.00 74.13 C ATOM 881 NZ LYS A 54 11.050 16.321 -3.908 1.00 21.53 N ATOM 0 H LYS A 54 5.386 15.219 -6.637 1.00 34.11 H new ATOM 0 HA LYS A 54 6.786 16.976 -8.517 1.00 35.05 H new ATOM 0 HB2 LYS A 54 8.636 16.764 -6.959 1.00 44.41 H new ATOM 0 HB3 LYS A 54 7.181 17.215 -6.093 1.00 44.41 H new ATOM 0 HG2 LYS A 54 6.874 14.897 -5.329 1.00 65.30 H new ATOM 0 HG3 LYS A 54 8.260 14.378 -6.268 1.00 65.30 H new ATOM 0 HD2 LYS A 54 8.279 16.300 -3.909 1.00 53.02 H new ATOM 0 HD3 LYS A 54 8.923 14.670 -3.937 1.00 53.02 H new ATOM 0 HE2 LYS A 54 10.540 15.395 -5.739 1.00 74.13 H new ATOM 0 HE3 LYS A 54 9.945 17.034 -5.564 1.00 74.13 H new ATOM 0 HZ1 LYS A 54 11.949 16.687 -4.281 1.00 21.53 H new ATOM 0 HZ2 LYS A 54 10.645 17.011 -3.243 1.00 21.53 H new ATOM 0 HZ3 LYS A 54 11.221 15.422 -3.413 1.00 21.53 H new ATOM 895 N ASN A 55 6.919 13.741 -8.509 1.00 22.23 N ATOM 896 CA ASN A 55 7.445 12.581 -9.215 1.00 23.42 C ATOM 897 C ASN A 55 6.406 12.017 -10.178 1.00 44.45 C ATOM 898 O ASN A 55 6.752 11.391 -11.180 1.00 61.44 O ATOM 899 CB ASN A 55 7.963 11.505 -8.239 1.00 32.21 C ATOM 900 CG ASN A 55 6.924 10.946 -7.274 1.00 52.50 C ATOM 901 OD1 ASN A 55 5.742 10.862 -7.574 1.00 42.04 O ATOM 902 ND2 ASN A 55 7.375 10.552 -6.091 1.00 41.42 N ATOM 0 H ASN A 55 6.124 13.545 -7.900 1.00 22.23 H new ATOM 0 HA ASN A 55 8.301 12.909 -9.804 1.00 23.42 H new ATOM 0 HB2 ASN A 55 8.376 10.680 -8.820 1.00 32.21 H new ATOM 0 HB3 ASN A 55 8.783 11.929 -7.659 1.00 32.21 H new ATOM 0 HD21 ASN A 55 6.730 10.166 -5.402 1.00 41.42 H new ATOM 0 HD22 ASN A 55 8.367 10.635 -5.870 1.00 41.42 H new ATOM 909 N VAL A 56 5.135 12.241 -9.873 1.00 54.22 N ATOM 910 CA VAL A 56 4.059 11.929 -10.796 1.00 2.34 C ATOM 911 C VAL A 56 3.254 13.193 -11.073 1.00 60.00 C ATOM 912 O VAL A 56 2.262 13.483 -10.405 1.00 64.10 O ATOM 913 CB VAL A 56 3.117 10.819 -10.271 1.00 64.20 C ATOM 914 CG1 VAL A 56 2.063 10.473 -11.315 1.00 52.23 C ATOM 915 CG2 VAL A 56 3.901 9.575 -9.886 1.00 54.21 C ATOM 0 H VAL A 56 4.825 12.640 -8.987 1.00 54.22 H new ATOM 0 HA VAL A 56 4.515 11.552 -11.711 1.00 2.34 H new ATOM 0 HB VAL A 56 2.617 11.198 -9.380 1.00 64.20 H new ATOM 0 HG11 VAL A 56 1.410 9.691 -10.928 1.00 52.23 H new ATOM 0 HG12 VAL A 56 1.471 11.360 -11.542 1.00 52.23 H new ATOM 0 HG13 VAL A 56 2.552 10.121 -12.223 1.00 52.23 H new ATOM 0 HG21 VAL A 56 3.215 8.811 -9.520 1.00 54.21 H new ATOM 0 HG22 VAL A 56 4.434 9.197 -10.758 1.00 54.21 H new ATOM 0 HG23 VAL A 56 4.617 9.824 -9.103 1.00 54.21 H new ATOM 925 N ARG A 57 3.717 13.963 -12.039 1.00 45.31 N ATOM 926 CA ARG A 57 3.060 15.208 -12.419 1.00 73.41 C ATOM 927 C ARG A 57 2.244 14.990 -13.682 1.00 44.42 C ATOM 928 O ARG A 57 2.217 15.824 -14.587 1.00 1.33 O ATOM 929 CB ARG A 57 4.106 16.302 -12.634 1.00 30.12 C ATOM 930 CG ARG A 57 5.260 15.860 -13.515 1.00 25.35 C ATOM 931 CD ARG A 57 6.390 16.868 -13.506 1.00 32.25 C ATOM 932 NE ARG A 57 7.626 16.294 -14.030 1.00 22.22 N ATOM 933 CZ ARG A 57 8.838 16.754 -13.745 1.00 41.55 C ATOM 934 NH1 ARG A 57 8.984 17.818 -12.961 1.00 64.14 N ATOM 935 NH2 ARG A 57 9.904 16.140 -14.240 1.00 50.42 N ATOM 0 H ARG A 57 4.553 13.749 -12.582 1.00 45.31 H new ATOM 0 HA ARG A 57 2.389 15.524 -11.620 1.00 73.41 H new ATOM 0 HB2 ARG A 57 3.626 17.171 -13.084 1.00 30.12 H new ATOM 0 HB3 ARG A 57 4.496 16.618 -11.667 1.00 30.12 H new ATOM 0 HG2 ARG A 57 5.631 14.894 -13.171 1.00 25.35 H new ATOM 0 HG3 ARG A 57 4.905 15.720 -14.536 1.00 25.35 H new ATOM 0 HD2 ARG A 57 6.109 17.736 -14.103 1.00 32.25 H new ATOM 0 HD3 ARG A 57 6.555 17.221 -12.488 1.00 32.25 H new ATOM 0 HE ARG A 57 7.554 15.490 -14.653 1.00 22.22 H new ATOM 0 HH11 ARG A 57 8.163 18.284 -12.576 1.00 64.14 H new ATOM 0 HH12 ARG A 57 9.917 18.168 -12.745 1.00 64.14 H new ATOM 0 HH21 ARG A 57 9.789 15.320 -14.836 1.00 50.42 H new ATOM 0 HH22 ARG A 57 10.838 16.488 -14.025 1.00 50.42 H new ATOM 949 N ARG A 58 1.573 13.856 -13.731 1.00 32.03 N ATOM 950 CA ARG A 58 0.812 13.466 -14.901 1.00 41.44 C ATOM 951 C ARG A 58 -0.683 13.553 -14.627 1.00 74.13 C ATOM 952 O ARG A 58 -1.106 13.594 -13.475 1.00 11.02 O ATOM 953 CB ARG A 58 1.206 12.053 -15.319 1.00 3.33 C ATOM 954 CG ARG A 58 2.670 11.913 -15.716 1.00 55.04 C ATOM 955 CD ARG A 58 2.989 12.648 -17.014 1.00 33.11 C ATOM 956 NE ARG A 58 2.873 14.105 -16.894 1.00 24.11 N ATOM 957 CZ ARG A 58 3.161 14.958 -17.878 1.00 52.05 C ATOM 958 NH1 ARG A 58 3.629 14.505 -19.035 1.00 32.03 N ATOM 959 NH2 ARG A 58 2.994 16.264 -17.699 1.00 14.23 N ATOM 0 H ARG A 58 1.540 13.183 -12.966 1.00 32.03 H new ATOM 0 HA ARG A 58 1.039 14.152 -15.717 1.00 41.44 H new ATOM 0 HB2 ARG A 58 0.996 11.369 -14.497 1.00 3.33 H new ATOM 0 HB3 ARG A 58 0.581 11.745 -16.157 1.00 3.33 H new ATOM 0 HG2 ARG A 58 3.300 12.302 -14.916 1.00 55.04 H new ATOM 0 HG3 ARG A 58 2.914 10.857 -15.829 1.00 55.04 H new ATOM 0 HD2 ARG A 58 4.002 12.395 -17.328 1.00 33.11 H new ATOM 0 HD3 ARG A 58 2.316 12.299 -17.797 1.00 33.11 H new ATOM 0 HE ARG A 58 2.553 14.489 -16.005 1.00 24.11 H new ATOM 0 HH11 ARG A 58 3.769 13.504 -19.172 1.00 32.03 H new ATOM 0 HH12 ARG A 58 3.849 15.158 -19.787 1.00 32.03 H new ATOM 0 HH21 ARG A 58 2.645 16.616 -16.808 1.00 14.23 H new ATOM 0 HH22 ARG A 58 3.215 16.914 -18.453 1.00 14.23 H new ATOM 973 N ALA A 59 -1.476 13.571 -15.689 1.00 74.45 N ATOM 974 CA ALA A 59 -2.913 13.776 -15.559 1.00 52.24 C ATOM 975 C ALA A 59 -3.674 12.459 -15.649 1.00 24.01 C ATOM 976 O ALA A 59 -4.396 12.081 -14.730 1.00 74.23 O ATOM 977 CB ALA A 59 -3.404 14.743 -16.624 1.00 62.03 C ATOM 0 H ALA A 59 -1.151 13.447 -16.648 1.00 74.45 H new ATOM 0 HA ALA A 59 -3.103 14.204 -14.575 1.00 52.24 H new ATOM 0 HB1 ALA A 59 -4.479 14.888 -16.516 1.00 62.03 H new ATOM 0 HB2 ALA A 59 -2.896 15.700 -16.509 1.00 62.03 H new ATOM 0 HB3 ALA A 59 -3.190 14.335 -17.612 1.00 62.03 H new ATOM 983 N HIS A 60 -3.508 11.755 -16.760 1.00 35.14 N ATOM 984 CA HIS A 60 -4.236 10.511 -16.983 1.00 61.42 C ATOM 985 C HIS A 60 -3.413 9.336 -16.488 1.00 22.12 C ATOM 986 O HIS A 60 -3.947 8.285 -16.132 1.00 73.01 O ATOM 987 CB HIS A 60 -4.580 10.346 -18.465 1.00 13.14 C ATOM 988 CG HIS A 60 -5.555 11.369 -18.966 1.00 73.44 C ATOM 989 ND1 HIS A 60 -6.905 11.122 -19.094 1.00 2.14 N ATOM 990 CD2 HIS A 60 -5.372 12.649 -19.365 1.00 2.45 C ATOM 991 CE1 HIS A 60 -7.509 12.206 -19.546 1.00 11.25 C ATOM 992 NE2 HIS A 60 -6.600 13.145 -19.718 1.00 44.34 N ATOM 0 H HIS A 60 -2.879 12.021 -17.518 1.00 35.14 H new ATOM 0 HA HIS A 60 -5.171 10.544 -16.423 1.00 61.42 H new ATOM 0 HB2 HIS A 60 -3.664 10.409 -19.052 1.00 13.14 H new ATOM 0 HB3 HIS A 60 -4.994 9.351 -18.626 1.00 13.14 H new ATOM 0 HD2 HIS A 60 -4.433 13.181 -19.399 1.00 2.45 H new ATOM 0 HE1 HIS A 60 -8.566 12.306 -19.741 1.00 11.25 H new ATOM 0 HE2 HIS A 60 -6.781 14.089 -20.059 1.00 44.34 H new ATOM 1001 N GLU A 61 -2.108 9.537 -16.449 1.00 2.52 N ATOM 1002 CA GLU A 61 -1.183 8.550 -15.919 1.00 40.23 C ATOM 1003 C GLU A 61 -1.366 8.453 -14.409 1.00 35.13 C ATOM 1004 O GLU A 61 -1.115 7.416 -13.794 1.00 65.14 O ATOM 1005 CB GLU A 61 0.264 8.942 -16.254 1.00 70.33 C ATOM 1006 CG GLU A 61 0.554 9.113 -17.748 1.00 2.20 C ATOM 1007 CD GLU A 61 -0.220 10.252 -18.400 1.00 22.03 C ATOM 1008 OE1 GLU A 61 -0.489 11.273 -17.722 1.00 62.24 O ATOM 1009 OE2 GLU A 61 -0.579 10.123 -19.584 1.00 54.42 O ATOM 0 H GLU A 61 -1.659 10.389 -16.784 1.00 2.52 H new ATOM 0 HA GLU A 61 -1.389 7.581 -16.373 1.00 40.23 H new ATOM 0 HB2 GLU A 61 0.500 9.876 -15.743 1.00 70.33 H new ATOM 0 HB3 GLU A 61 0.934 8.181 -15.853 1.00 70.33 H new ATOM 0 HG2 GLU A 61 1.621 9.288 -17.883 1.00 2.20 H new ATOM 0 HG3 GLU A 61 0.315 8.183 -18.263 1.00 2.20 H new ATOM 1016 N ARG A 62 -1.832 9.554 -13.824 1.00 34.21 N ATOM 1017 CA ARG A 62 -2.156 9.606 -12.404 1.00 71.04 C ATOM 1018 C ARG A 62 -3.350 8.695 -12.137 1.00 31.33 C ATOM 1019 O ARG A 62 -3.449 8.058 -11.088 1.00 63.54 O ATOM 1020 CB ARG A 62 -2.478 11.054 -12.011 1.00 51.40 C ATOM 1021 CG ARG A 62 -2.153 11.420 -10.568 1.00 31.11 C ATOM 1022 CD ARG A 62 -3.158 10.858 -9.574 1.00 53.31 C ATOM 1023 NE ARG A 62 -2.994 11.463 -8.252 1.00 25.31 N ATOM 1024 CZ ARG A 62 -3.604 11.043 -7.144 1.00 31.11 C ATOM 1025 NH1 ARG A 62 -4.418 9.995 -7.182 1.00 33.03 N ATOM 1026 NH2 ARG A 62 -3.408 11.692 -6.003 1.00 15.11 N ATOM 0 H ARG A 62 -1.994 10.430 -14.320 1.00 34.21 H new ATOM 0 HA ARG A 62 -1.310 9.265 -11.807 1.00 71.04 H new ATOM 0 HB2 ARG A 62 -1.928 11.724 -12.672 1.00 51.40 H new ATOM 0 HB3 ARG A 62 -3.539 11.234 -12.185 1.00 51.40 H new ATOM 0 HG2 ARG A 62 -1.158 11.050 -10.320 1.00 31.11 H new ATOM 0 HG3 ARG A 62 -2.122 12.505 -10.472 1.00 31.11 H new ATOM 0 HD2 ARG A 62 -4.170 11.039 -9.936 1.00 53.31 H new ATOM 0 HD3 ARG A 62 -3.034 9.778 -9.500 1.00 53.31 H new ATOM 0 HE ARG A 62 -2.368 12.264 -8.173 1.00 25.31 H new ATOM 0 HH11 ARG A 62 -4.579 9.506 -8.063 1.00 33.03 H new ATOM 0 HH12 ARG A 62 -4.882 9.678 -6.331 1.00 33.03 H new ATOM 0 HH21 ARG A 62 -2.794 12.506 -5.978 1.00 15.11 H new ATOM 0 HH22 ARG A 62 -3.871 11.377 -5.151 1.00 15.11 H new ATOM 1040 N ASN A 63 -4.244 8.626 -13.120 1.00 44.32 N ATOM 1041 CA ASN A 63 -5.411 7.757 -13.045 1.00 73.44 C ATOM 1042 C ASN A 63 -4.997 6.302 -13.188 1.00 31.40 C ATOM 1043 O ASN A 63 -5.616 5.416 -12.609 1.00 21.43 O ATOM 1044 CB ASN A 63 -6.431 8.102 -14.135 1.00 54.54 C ATOM 1045 CG ASN A 63 -6.999 9.500 -13.995 1.00 2.13 C ATOM 1046 OD1 ASN A 63 -7.089 10.044 -12.894 1.00 43.53 O ATOM 1047 ND2 ASN A 63 -7.399 10.088 -15.114 1.00 44.25 N ATOM 0 H ASN A 63 -4.180 9.166 -13.983 1.00 44.32 H new ATOM 0 HA ASN A 63 -5.875 7.912 -12.071 1.00 73.44 H new ATOM 0 HB2 ASN A 63 -5.957 8.005 -15.112 1.00 54.54 H new ATOM 0 HB3 ASN A 63 -7.247 7.380 -14.103 1.00 54.54 H new ATOM 0 HD21 ASN A 63 -7.799 11.026 -15.083 1.00 44.25 H new ATOM 0 HD22 ASN A 63 -7.307 9.603 -16.006 1.00 44.25 H new ATOM 1054 N ARG A 64 -3.944 6.065 -13.966 1.00 40.20 N ATOM 1055 CA ARG A 64 -3.417 4.717 -14.153 1.00 62.21 C ATOM 1056 C ARG A 64 -2.996 4.114 -12.820 1.00 10.45 C ATOM 1057 O ARG A 64 -3.397 3.004 -12.482 1.00 64.21 O ATOM 1058 CB ARG A 64 -2.234 4.727 -15.124 1.00 41.55 C ATOM 1059 CG ARG A 64 -2.629 4.980 -16.569 1.00 33.42 C ATOM 1060 CD ARG A 64 -3.450 3.828 -17.127 1.00 60.24 C ATOM 1061 NE ARG A 64 -3.809 4.035 -18.527 1.00 13.34 N ATOM 1062 CZ ARG A 64 -4.062 3.051 -19.390 1.00 75.04 C ATOM 1063 NH1 ARG A 64 -3.986 1.782 -19.003 1.00 52.02 N ATOM 1064 NH2 ARG A 64 -4.381 3.333 -20.644 1.00 32.23 N ATOM 0 H ARG A 64 -3.439 6.789 -14.477 1.00 40.20 H new ATOM 0 HA ARG A 64 -4.210 4.102 -14.578 1.00 62.21 H new ATOM 0 HB2 ARG A 64 -1.526 5.494 -14.811 1.00 41.55 H new ATOM 0 HB3 ARG A 64 -1.716 3.770 -15.061 1.00 41.55 H new ATOM 0 HG2 ARG A 64 -3.203 5.904 -16.635 1.00 33.42 H new ATOM 0 HG3 ARG A 64 -1.733 5.118 -17.174 1.00 33.42 H new ATOM 0 HD2 ARG A 64 -2.884 2.901 -17.032 1.00 60.24 H new ATOM 0 HD3 ARG A 64 -4.357 3.710 -16.534 1.00 60.24 H new ATOM 0 HE ARG A 64 -3.870 4.995 -18.867 1.00 13.34 H new ATOM 0 HH11 ARG A 64 -3.733 1.556 -18.041 1.00 52.02 H new ATOM 0 HH12 ARG A 64 -4.181 1.033 -19.668 1.00 52.02 H new ATOM 0 HH21 ARG A 64 -4.433 4.304 -20.951 1.00 32.23 H new ATOM 0 HH22 ARG A 64 -4.574 2.579 -21.303 1.00 32.23 H new ATOM 1078 N ILE A 65 -2.207 4.864 -12.059 1.00 51.43 N ATOM 1079 CA ILE A 65 -1.755 4.418 -10.745 1.00 44.44 C ATOM 1080 C ILE A 65 -2.949 4.246 -9.805 1.00 2.24 C ATOM 1081 O ILE A 65 -3.012 3.302 -9.014 1.00 12.12 O ATOM 1082 CB ILE A 65 -0.758 5.425 -10.122 1.00 5.21 C ATOM 1083 CG1 ILE A 65 0.407 5.699 -11.081 1.00 42.24 C ATOM 1084 CG2 ILE A 65 -0.234 4.912 -8.786 1.00 31.55 C ATOM 1085 CD1 ILE A 65 1.234 4.474 -11.412 1.00 72.41 C ATOM 0 H ILE A 65 -1.866 5.786 -12.330 1.00 51.43 H new ATOM 0 HA ILE A 65 -1.249 3.462 -10.877 1.00 44.44 H new ATOM 0 HB ILE A 65 -1.290 6.360 -9.947 1.00 5.21 H new ATOM 0 HG12 ILE A 65 0.012 6.119 -12.006 1.00 42.24 H new ATOM 0 HG13 ILE A 65 1.057 6.455 -10.640 1.00 42.24 H new ATOM 0 HG21 ILE A 65 0.465 5.636 -8.367 1.00 31.55 H new ATOM 0 HG22 ILE A 65 -1.068 4.772 -8.098 1.00 31.55 H new ATOM 0 HG23 ILE A 65 0.276 3.961 -8.936 1.00 31.55 H new ATOM 0 HD11 ILE A 65 2.037 4.751 -12.095 1.00 72.41 H new ATOM 0 HD12 ILE A 65 1.661 4.065 -10.496 1.00 72.41 H new ATOM 0 HD13 ILE A 65 0.600 3.723 -11.883 1.00 72.41 H new ATOM 1097 N LYS A 66 -3.904 5.159 -9.924 1.00 11.44 N ATOM 1098 CA LYS A 66 -5.094 5.159 -9.083 1.00 1.01 C ATOM 1099 C LYS A 66 -5.991 3.957 -9.380 1.00 11.23 C ATOM 1100 O LYS A 66 -6.562 3.357 -8.468 1.00 44.12 O ATOM 1101 CB LYS A 66 -5.864 6.466 -9.290 1.00 41.42 C ATOM 1102 CG LYS A 66 -7.174 6.553 -8.525 1.00 62.01 C ATOM 1103 CD LYS A 66 -7.835 7.909 -8.719 1.00 33.42 C ATOM 1104 CE LYS A 66 -8.174 8.172 -10.178 1.00 2.30 C ATOM 1105 NZ LYS A 66 -8.647 9.563 -10.391 1.00 42.14 N ATOM 0 H LYS A 66 -3.876 5.919 -10.604 1.00 11.44 H new ATOM 0 HA LYS A 66 -4.781 5.081 -8.042 1.00 1.01 H new ATOM 0 HB2 LYS A 66 -5.228 7.299 -8.992 1.00 41.42 H new ATOM 0 HB3 LYS A 66 -6.070 6.587 -10.353 1.00 41.42 H new ATOM 0 HG2 LYS A 66 -7.848 5.765 -8.862 1.00 62.01 H new ATOM 0 HG3 LYS A 66 -6.991 6.383 -7.464 1.00 62.01 H new ATOM 0 HD2 LYS A 66 -8.745 7.958 -8.121 1.00 33.42 H new ATOM 0 HD3 LYS A 66 -7.171 8.692 -8.354 1.00 33.42 H new ATOM 0 HE2 LYS A 66 -7.294 7.989 -10.795 1.00 2.30 H new ATOM 0 HE3 LYS A 66 -8.943 7.472 -10.504 1.00 2.30 H new ATOM 0 HZ1 LYS A 66 -8.209 9.951 -11.251 1.00 42.14 H new ATOM 0 HZ2 LYS A 66 -9.682 9.565 -10.498 1.00 42.14 H new ATOM 0 HZ3 LYS A 66 -8.382 10.149 -9.574 1.00 42.14 H new ATOM 1119 N ARG A 67 -6.110 3.609 -10.652 1.00 63.25 N ATOM 1120 CA ARG A 67 -6.954 2.493 -11.056 1.00 3.03 C ATOM 1121 C ARG A 67 -6.249 1.159 -10.863 1.00 14.32 C ATOM 1122 O ARG A 67 -6.880 0.179 -10.480 1.00 64.53 O ATOM 1123 CB ARG A 67 -7.395 2.641 -12.510 1.00 70.14 C ATOM 1124 CG ARG A 67 -8.458 3.703 -12.718 1.00 44.53 C ATOM 1125 CD ARG A 67 -8.956 3.715 -14.152 1.00 74.41 C ATOM 1126 NE ARG A 67 -9.474 2.409 -14.565 1.00 61.20 N ATOM 1127 CZ ARG A 67 -10.520 2.245 -15.374 1.00 73.11 C ATOM 1128 NH1 ARG A 67 -11.203 3.300 -15.802 1.00 70.44 N ATOM 1129 NH2 ARG A 67 -10.888 1.026 -15.745 1.00 51.22 N ATOM 0 H ARG A 67 -5.635 4.081 -11.421 1.00 63.25 H new ATOM 0 HA ARG A 67 -7.836 2.509 -10.415 1.00 3.03 H new ATOM 0 HB2 ARG A 67 -6.526 2.884 -13.121 1.00 70.14 H new ATOM 0 HB3 ARG A 67 -7.776 1.683 -12.864 1.00 70.14 H new ATOM 0 HG2 ARG A 67 -9.294 3.521 -12.043 1.00 44.53 H new ATOM 0 HG3 ARG A 67 -8.051 4.682 -12.464 1.00 44.53 H new ATOM 0 HD2 ARG A 67 -9.740 4.465 -14.257 1.00 74.41 H new ATOM 0 HD3 ARG A 67 -8.143 4.009 -14.816 1.00 74.41 H new ATOM 0 HE ARG A 67 -9.006 1.574 -14.212 1.00 61.20 H new ATOM 0 HH11 ARG A 67 -10.927 4.238 -15.512 1.00 70.44 H new ATOM 0 HH12 ARG A 67 -12.003 3.172 -16.421 1.00 70.44 H new ATOM 0 HH21 ARG A 67 -10.370 0.213 -15.411 1.00 51.22 H new ATOM 0 HH22 ARG A 67 -11.689 0.901 -16.364 1.00 51.22 H new ATOM 1143 N LEU A 68 -4.947 1.127 -11.124 1.00 53.32 N ATOM 1144 CA LEU A 68 -4.169 -0.103 -11.007 1.00 45.12 C ATOM 1145 C LEU A 68 -4.251 -0.638 -9.581 1.00 15.11 C ATOM 1146 O LEU A 68 -4.500 -1.824 -9.366 1.00 2.01 O ATOM 1147 CB LEU A 68 -2.707 0.157 -11.405 1.00 44.21 C ATOM 1148 CG LEU A 68 -1.927 -1.047 -11.957 1.00 21.34 C ATOM 1149 CD1 LEU A 68 -1.680 -2.095 -10.883 1.00 33.14 C ATOM 1150 CD2 LEU A 68 -2.663 -1.659 -13.139 1.00 14.25 C ATOM 0 H LEU A 68 -4.406 1.940 -11.419 1.00 53.32 H new ATOM 0 HA LEU A 68 -4.582 -0.852 -11.683 1.00 45.12 H new ATOM 0 HB2 LEU A 68 -2.692 0.947 -12.155 1.00 44.21 H new ATOM 0 HB3 LEU A 68 -2.177 0.537 -10.532 1.00 44.21 H new ATOM 0 HG LEU A 68 -0.956 -0.686 -12.295 1.00 21.34 H new ATOM 0 HD11 LEU A 68 -1.126 -2.931 -11.311 1.00 33.14 H new ATOM 0 HD12 LEU A 68 -1.102 -1.654 -10.071 1.00 33.14 H new ATOM 0 HD13 LEU A 68 -2.635 -2.452 -10.497 1.00 33.14 H new ATOM 0 HD21 LEU A 68 -2.098 -2.510 -13.518 1.00 14.25 H new ATOM 0 HD22 LEU A 68 -3.650 -1.992 -12.820 1.00 14.25 H new ATOM 0 HD23 LEU A 68 -2.769 -0.914 -13.927 1.00 14.25 H new ATOM 1162 N THR A 69 -4.064 0.251 -8.614 1.00 12.41 N ATOM 1163 CA THR A 69 -4.112 -0.127 -7.211 1.00 33.31 C ATOM 1164 C THR A 69 -5.508 -0.595 -6.808 1.00 71.25 C ATOM 1165 O THR A 69 -5.663 -1.647 -6.195 1.00 4.33 O ATOM 1166 CB THR A 69 -3.674 1.043 -6.311 1.00 14.54 C ATOM 1167 OG1 THR A 69 -4.304 2.254 -6.751 1.00 71.04 O ATOM 1168 CG2 THR A 69 -2.163 1.211 -6.339 1.00 62.44 C ATOM 0 H THR A 69 -3.877 1.240 -8.778 1.00 12.41 H new ATOM 0 HA THR A 69 -3.418 -0.956 -7.076 1.00 33.31 H new ATOM 0 HB THR A 69 -3.978 0.824 -5.287 1.00 14.54 H new ATOM 0 HG1 THR A 69 -3.763 2.667 -7.456 1.00 71.04 H new ATOM 0 HG21 THR A 69 -1.877 2.043 -5.696 1.00 62.44 H new ATOM 0 HG22 THR A 69 -1.689 0.297 -5.982 1.00 62.44 H new ATOM 0 HG23 THR A 69 -1.838 1.413 -7.360 1.00 62.44 H new ATOM 1176 N ARG A 70 -6.524 0.182 -7.175 1.00 73.54 N ATOM 1177 CA ARG A 70 -7.911 -0.153 -6.854 1.00 54.01 C ATOM 1178 C ARG A 70 -8.355 -1.444 -7.537 1.00 75.42 C ATOM 1179 O ARG A 70 -9.165 -2.197 -6.991 1.00 33.50 O ATOM 1180 CB ARG A 70 -8.841 0.996 -7.253 1.00 65.02 C ATOM 1181 CG ARG A 70 -8.917 2.103 -6.213 1.00 50.33 C ATOM 1182 CD ARG A 70 -9.700 3.301 -6.724 1.00 63.45 C ATOM 1183 NE ARG A 70 -10.152 4.162 -5.632 1.00 55.33 N ATOM 1184 CZ ARG A 70 -9.445 5.169 -5.117 1.00 22.03 C ATOM 1185 NH1 ARG A 70 -8.211 5.417 -5.545 1.00 53.44 N ATOM 1186 NH2 ARG A 70 -9.972 5.916 -4.157 1.00 62.12 N ATOM 0 H ARG A 70 -6.413 1.051 -7.697 1.00 73.54 H new ATOM 0 HA ARG A 70 -7.969 -0.308 -5.777 1.00 54.01 H new ATOM 0 HB2 ARG A 70 -8.499 1.419 -8.198 1.00 65.02 H new ATOM 0 HB3 ARG A 70 -9.842 0.600 -7.425 1.00 65.02 H new ATOM 0 HG2 ARG A 70 -9.388 1.720 -5.307 1.00 50.33 H new ATOM 0 HG3 ARG A 70 -7.909 2.416 -5.940 1.00 50.33 H new ATOM 0 HD2 ARG A 70 -9.076 3.878 -7.407 1.00 63.45 H new ATOM 0 HD3 ARG A 70 -10.562 2.955 -7.294 1.00 63.45 H new ATOM 0 HE ARG A 70 -11.074 3.979 -5.236 1.00 55.33 H new ATOM 0 HH11 ARG A 70 -7.797 4.835 -6.273 1.00 53.44 H new ATOM 0 HH12 ARG A 70 -7.678 6.189 -5.145 1.00 53.44 H new ATOM 0 HH21 ARG A 70 -10.913 5.719 -3.816 1.00 62.12 H new ATOM 0 HH22 ARG A 70 -9.436 6.687 -3.759 1.00 62.12 H new ATOM 1200 N GLU A 71 -7.825 -1.687 -8.727 1.00 63.03 N ATOM 1201 CA GLU A 71 -8.159 -2.880 -9.493 1.00 31.21 C ATOM 1202 C GLU A 71 -7.570 -4.121 -8.832 1.00 62.42 C ATOM 1203 O GLU A 71 -8.298 -5.041 -8.459 1.00 24.43 O ATOM 1204 CB GLU A 71 -7.636 -2.740 -10.927 1.00 5.21 C ATOM 1205 CG GLU A 71 -8.068 -3.856 -11.863 1.00 24.40 C ATOM 1206 CD GLU A 71 -7.584 -3.636 -13.283 1.00 35.54 C ATOM 1207 OE1 GLU A 71 -8.181 -2.796 -13.994 1.00 71.32 O ATOM 1208 OE2 GLU A 71 -6.602 -4.289 -13.696 1.00 45.25 O ATOM 0 H GLU A 71 -7.156 -1.069 -9.186 1.00 63.03 H new ATOM 0 HA GLU A 71 -9.243 -2.989 -9.520 1.00 31.21 H new ATOM 0 HB2 GLU A 71 -7.977 -1.788 -11.334 1.00 5.21 H new ATOM 0 HB3 GLU A 71 -6.547 -2.704 -10.902 1.00 5.21 H new ATOM 0 HG2 GLU A 71 -7.683 -4.806 -11.493 1.00 24.40 H new ATOM 0 HG3 GLU A 71 -9.156 -3.930 -11.859 1.00 24.40 H new ATOM 1215 N SER A 72 -6.255 -4.124 -8.663 1.00 42.31 N ATOM 1216 CA SER A 72 -5.551 -5.280 -8.126 1.00 60.33 C ATOM 1217 C SER A 72 -5.955 -5.570 -6.680 1.00 32.25 C ATOM 1218 O SER A 72 -6.144 -6.728 -6.304 1.00 72.25 O ATOM 1219 CB SER A 72 -4.041 -5.056 -8.226 1.00 33.24 C ATOM 1220 OG SER A 72 -3.678 -3.789 -7.701 1.00 51.22 O ATOM 0 H SER A 72 -5.651 -3.334 -8.892 1.00 42.31 H new ATOM 0 HA SER A 72 -5.829 -6.151 -8.720 1.00 60.33 H new ATOM 0 HB2 SER A 72 -3.517 -5.842 -7.683 1.00 33.24 H new ATOM 0 HB3 SER A 72 -3.728 -5.125 -9.268 1.00 33.24 H new ATOM 0 HG SER A 72 -3.848 -3.096 -8.373 1.00 51.22 H new ATOM 1226 N PHE A 73 -6.101 -4.513 -5.884 1.00 40.12 N ATOM 1227 CA PHE A 73 -6.450 -4.647 -4.472 1.00 22.21 C ATOM 1228 C PHE A 73 -7.730 -5.455 -4.286 1.00 42.43 C ATOM 1229 O PHE A 73 -7.781 -6.379 -3.475 1.00 23.40 O ATOM 1230 CB PHE A 73 -6.613 -3.263 -3.835 1.00 14.13 C ATOM 1231 CG PHE A 73 -6.950 -3.297 -2.369 1.00 54.25 C ATOM 1232 CD1 PHE A 73 -5.985 -3.617 -1.428 1.00 23.21 C ATOM 1233 CD2 PHE A 73 -8.236 -3.014 -1.932 1.00 51.51 C ATOM 1234 CE1 PHE A 73 -6.293 -3.654 -0.081 1.00 32.45 C ATOM 1235 CE2 PHE A 73 -8.552 -3.051 -0.587 1.00 41.33 C ATOM 1236 CZ PHE A 73 -7.579 -3.372 0.340 1.00 11.32 C ATOM 0 H PHE A 73 -5.982 -3.549 -6.196 1.00 40.12 H new ATOM 0 HA PHE A 73 -5.638 -5.181 -3.979 1.00 22.21 H new ATOM 0 HB2 PHE A 73 -5.689 -2.701 -3.971 1.00 14.13 H new ATOM 0 HB3 PHE A 73 -7.397 -2.721 -4.364 1.00 14.13 H new ATOM 0 HD1 PHE A 73 -4.979 -3.840 -1.751 1.00 23.21 H new ATOM 0 HD2 PHE A 73 -9.000 -2.761 -2.652 1.00 51.51 H new ATOM 0 HE1 PHE A 73 -5.530 -3.903 0.642 1.00 32.45 H new ATOM 0 HE2 PHE A 73 -9.558 -2.829 -0.261 1.00 41.33 H new ATOM 0 HZ PHE A 73 -7.823 -3.403 1.392 1.00 11.32 H new ATOM 1246 N ARG A 74 -8.753 -5.123 -5.060 1.00 5.55 N ATOM 1247 CA ARG A 74 -10.061 -5.733 -4.878 1.00 11.44 C ATOM 1248 C ARG A 74 -10.194 -7.010 -5.705 1.00 10.40 C ATOM 1249 O ARG A 74 -11.025 -7.868 -5.409 1.00 24.14 O ATOM 1250 CB ARG A 74 -11.161 -4.741 -5.252 1.00 0.43 C ATOM 1251 CG ARG A 74 -12.535 -5.130 -4.731 1.00 33.31 C ATOM 1252 CD ARG A 74 -13.560 -4.046 -5.001 1.00 24.21 C ATOM 1253 NE ARG A 74 -14.821 -4.313 -4.313 1.00 42.33 N ATOM 1254 CZ ARG A 74 -15.754 -3.398 -4.076 1.00 22.22 C ATOM 1255 NH1 ARG A 74 -15.583 -2.143 -4.468 1.00 2.15 N ATOM 1256 NH2 ARG A 74 -16.864 -3.739 -3.438 1.00 55.33 N ATOM 0 H ARG A 74 -8.703 -4.439 -5.815 1.00 5.55 H new ATOM 0 HA ARG A 74 -10.167 -6.001 -3.827 1.00 11.44 H new ATOM 0 HB2 ARG A 74 -10.899 -3.757 -4.862 1.00 0.43 H new ATOM 0 HB3 ARG A 74 -11.205 -4.653 -6.338 1.00 0.43 H new ATOM 0 HG2 ARG A 74 -12.854 -6.059 -5.203 1.00 33.31 H new ATOM 0 HG3 ARG A 74 -12.478 -5.320 -3.659 1.00 33.31 H new ATOM 0 HD2 ARG A 74 -13.165 -3.083 -4.677 1.00 24.21 H new ATOM 0 HD3 ARG A 74 -13.739 -3.973 -6.074 1.00 24.21 H new ATOM 0 HE ARG A 74 -14.996 -5.266 -3.993 1.00 42.33 H new ATOM 0 HH11 ARG A 74 -14.729 -1.873 -4.956 1.00 2.15 H new ATOM 0 HH12 ARG A 74 -16.305 -1.447 -4.281 1.00 2.15 H new ATOM 0 HH21 ARG A 74 -17.000 -4.702 -3.130 1.00 55.33 H new ATOM 0 HH22 ARG A 74 -17.582 -3.039 -3.254 1.00 55.33 H new ATOM 1270 N LEU A 75 -9.368 -7.143 -6.736 1.00 5.21 N ATOM 1271 CA LEU A 75 -9.387 -8.337 -7.577 1.00 51.51 C ATOM 1272 C LEU A 75 -8.914 -9.552 -6.786 1.00 20.01 C ATOM 1273 O LEU A 75 -9.291 -10.688 -7.078 1.00 43.55 O ATOM 1274 CB LEU A 75 -8.503 -8.143 -8.815 1.00 33.40 C ATOM 1275 CG LEU A 75 -8.510 -9.304 -9.813 1.00 23.51 C ATOM 1276 CD1 LEU A 75 -9.895 -9.482 -10.418 1.00 5.43 C ATOM 1277 CD2 LEU A 75 -7.472 -9.079 -10.904 1.00 21.42 C ATOM 0 H LEU A 75 -8.679 -6.443 -7.010 1.00 5.21 H new ATOM 0 HA LEU A 75 -10.413 -8.505 -7.905 1.00 51.51 H new ATOM 0 HB2 LEU A 75 -8.824 -7.239 -9.332 1.00 33.40 H new ATOM 0 HB3 LEU A 75 -7.478 -7.975 -8.486 1.00 33.40 H new ATOM 0 HG LEU A 75 -8.251 -10.218 -9.278 1.00 23.51 H new ATOM 0 HD11 LEU A 75 -9.879 -10.312 -11.125 1.00 5.43 H new ATOM 0 HD12 LEU A 75 -10.614 -9.693 -9.626 1.00 5.43 H new ATOM 0 HD13 LEU A 75 -10.185 -8.569 -10.937 1.00 5.43 H new ATOM 0 HD21 LEU A 75 -7.492 -9.915 -11.603 1.00 21.42 H new ATOM 0 HD22 LEU A 75 -7.698 -8.155 -11.436 1.00 21.42 H new ATOM 0 HD23 LEU A 75 -6.482 -9.006 -10.455 1.00 21.42 H new ATOM 1289 N ARG A 76 -8.089 -9.306 -5.778 1.00 44.41 N ATOM 1290 CA ARG A 76 -7.546 -10.381 -4.961 1.00 33.31 C ATOM 1291 C ARG A 76 -8.170 -10.343 -3.570 1.00 62.22 C ATOM 1292 O ARG A 76 -7.610 -10.867 -2.611 1.00 32.33 O ATOM 1293 CB ARG A 76 -6.020 -10.254 -4.845 1.00 12.24 C ATOM 1294 CG ARG A 76 -5.327 -9.784 -6.121 1.00 45.24 C ATOM 1295 CD ARG A 76 -5.623 -10.678 -7.314 1.00 1.14 C ATOM 1296 NE ARG A 76 -4.942 -11.971 -7.242 1.00 15.43 N ATOM 1297 CZ ARG A 76 -4.550 -12.648 -8.321 1.00 61.13 C ATOM 1298 NH1 ARG A 76 -4.746 -12.133 -9.530 1.00 14.30 N ATOM 1299 NH2 ARG A 76 -3.959 -13.827 -8.195 1.00 71.42 N ATOM 0 H ARG A 76 -7.781 -8.372 -5.507 1.00 44.41 H new ATOM 0 HA ARG A 76 -7.783 -11.331 -5.440 1.00 33.31 H new ATOM 0 HB2 ARG A 76 -5.786 -9.556 -4.041 1.00 12.24 H new ATOM 0 HB3 ARG A 76 -5.608 -11.221 -4.558 1.00 12.24 H new ATOM 0 HG2 ARG A 76 -5.644 -8.766 -6.348 1.00 45.24 H new ATOM 0 HG3 ARG A 76 -4.250 -9.753 -5.954 1.00 45.24 H new ATOM 0 HD2 ARG A 76 -6.698 -10.843 -7.379 1.00 1.14 H new ATOM 0 HD3 ARG A 76 -5.323 -10.166 -8.228 1.00 1.14 H new ATOM 0 HE ARG A 76 -4.759 -12.373 -6.323 1.00 15.43 H new ATOM 0 HH11 ARG A 76 -5.195 -11.223 -9.630 1.00 14.30 H new ATOM 0 HH12 ARG A 76 -4.447 -12.648 -10.358 1.00 14.30 H new ATOM 0 HH21 ARG A 76 -3.801 -14.222 -7.268 1.00 71.42 H new ATOM 0 HH22 ARG A 76 -3.662 -14.340 -9.025 1.00 71.42 H new ATOM 1313 N GLN A 77 -9.361 -9.754 -3.478 1.00 4.42 N ATOM 1314 CA GLN A 77 -10.012 -9.504 -2.190 1.00 10.43 C ATOM 1315 C GLN A 77 -10.461 -10.801 -1.507 1.00 21.11 C ATOM 1316 O GLN A 77 -10.983 -10.779 -0.392 1.00 63.23 O ATOM 1317 CB GLN A 77 -11.222 -8.594 -2.394 1.00 73.00 C ATOM 1318 CG GLN A 77 -11.555 -7.734 -1.188 1.00 71.52 C ATOM 1319 CD GLN A 77 -10.537 -6.631 -0.973 1.00 73.23 C ATOM 1320 OE1 GLN A 77 -10.686 -5.530 -1.499 1.00 64.34 O ATOM 1321 NE2 GLN A 77 -9.498 -6.915 -0.202 1.00 35.13 N ATOM 0 H GLN A 77 -9.899 -9.439 -4.285 1.00 4.42 H new ATOM 0 HA GLN A 77 -9.280 -9.023 -1.541 1.00 10.43 H new ATOM 0 HB2 GLN A 77 -11.036 -7.946 -3.250 1.00 73.00 H new ATOM 0 HB3 GLN A 77 -12.088 -9.208 -2.641 1.00 73.00 H new ATOM 0 HG2 GLN A 77 -12.543 -7.293 -1.320 1.00 71.52 H new ATOM 0 HG3 GLN A 77 -11.602 -8.362 -0.298 1.00 71.52 H new ATOM 0 HE21 GLN A 77 -9.411 -7.841 0.216 1.00 35.13 H new ATOM 0 HE22 GLN A 77 -8.785 -6.207 -0.026 1.00 35.13 H new ATOM 1330 N HIS A 78 -10.272 -11.929 -2.174 1.00 72.11 N ATOM 1331 CA HIS A 78 -10.658 -13.213 -1.604 1.00 14.22 C ATOM 1332 C HIS A 78 -9.516 -13.789 -0.781 1.00 52.32 C ATOM 1333 O HIS A 78 -9.737 -14.542 0.168 1.00 12.34 O ATOM 1334 CB HIS A 78 -11.060 -14.195 -2.707 1.00 54.21 C ATOM 1335 CG HIS A 78 -12.197 -13.711 -3.549 1.00 12.15 C ATOM 1336 ND1 HIS A 78 -12.082 -13.464 -4.898 1.00 54.44 N ATOM 1337 CD2 HIS A 78 -13.477 -13.417 -3.224 1.00 3.41 C ATOM 1338 CE1 HIS A 78 -13.238 -13.038 -5.364 1.00 24.30 C ATOM 1339 NE2 HIS A 78 -14.103 -12.998 -4.370 1.00 43.33 N ATOM 0 H HIS A 78 -9.857 -11.983 -3.104 1.00 72.11 H new ATOM 0 HA HIS A 78 -11.517 -13.054 -0.953 1.00 14.22 H new ATOM 0 HB2 HIS A 78 -10.198 -14.383 -3.347 1.00 54.21 H new ATOM 0 HB3 HIS A 78 -11.334 -15.147 -2.253 1.00 54.21 H new ATOM 0 HD2 HIS A 78 -13.923 -13.497 -2.244 1.00 3.41 H new ATOM 0 HE1 HIS A 78 -13.443 -12.767 -6.389 1.00 24.30 H new ATOM 0 HE2 HIS A 78 -15.077 -12.704 -4.441 1.00 43.33 H new ATOM 1348 N GLU A 79 -8.298 -13.420 -1.145 1.00 1.13 N ATOM 1349 CA GLU A 79 -7.112 -13.924 -0.469 1.00 74.03 C ATOM 1350 C GLU A 79 -6.424 -12.795 0.300 1.00 43.14 C ATOM 1351 O GLU A 79 -5.556 -13.031 1.142 1.00 5.32 O ATOM 1352 CB GLU A 79 -6.174 -14.542 -1.507 1.00 51.22 C ATOM 1353 CG GLU A 79 -5.117 -15.466 -0.930 1.00 73.11 C ATOM 1354 CD GLU A 79 -4.394 -16.245 -2.009 1.00 43.10 C ATOM 1355 OE1 GLU A 79 -5.051 -17.054 -2.701 1.00 54.14 O ATOM 1356 OE2 GLU A 79 -3.175 -16.047 -2.187 1.00 1.24 O ATOM 0 H GLU A 79 -8.104 -12.771 -1.908 1.00 1.13 H new ATOM 0 HA GLU A 79 -7.392 -14.691 0.253 1.00 74.03 H new ATOM 0 HB2 GLU A 79 -6.770 -15.099 -2.230 1.00 51.22 H new ATOM 0 HB3 GLU A 79 -5.678 -13.740 -2.053 1.00 51.22 H new ATOM 0 HG2 GLU A 79 -4.395 -14.880 -0.360 1.00 73.11 H new ATOM 0 HG3 GLU A 79 -5.585 -16.161 -0.233 1.00 73.11 H new ATOM 1363 N LEU A 80 -6.831 -11.568 0.007 1.00 64.43 N ATOM 1364 CA LEU A 80 -6.304 -10.393 0.686 1.00 72.23 C ATOM 1365 C LEU A 80 -7.349 -9.869 1.669 1.00 11.13 C ATOM 1366 O LEU A 80 -8.406 -9.385 1.253 1.00 33.43 O ATOM 1367 CB LEU A 80 -5.943 -9.316 -0.350 1.00 34.21 C ATOM 1368 CG LEU A 80 -4.917 -8.256 0.081 1.00 22.23 C ATOM 1369 CD1 LEU A 80 -4.476 -7.441 -1.126 1.00 63.10 C ATOM 1370 CD2 LEU A 80 -5.483 -7.332 1.149 1.00 21.23 C ATOM 0 H LEU A 80 -7.532 -11.360 -0.704 1.00 64.43 H new ATOM 0 HA LEU A 80 -5.402 -10.656 1.238 1.00 72.23 H new ATOM 0 HB2 LEU A 80 -5.562 -9.816 -1.241 1.00 34.21 H new ATOM 0 HB3 LEU A 80 -6.860 -8.803 -0.640 1.00 34.21 H new ATOM 0 HG LEU A 80 -4.058 -8.775 0.507 1.00 22.23 H new ATOM 0 HD11 LEU A 80 -3.749 -6.692 -0.813 1.00 63.10 H new ATOM 0 HD12 LEU A 80 -4.022 -8.101 -1.865 1.00 63.10 H new ATOM 0 HD13 LEU A 80 -5.341 -6.945 -1.566 1.00 63.10 H new ATOM 0 HD21 LEU A 80 -4.730 -6.596 1.429 1.00 21.23 H new ATOM 0 HD22 LEU A 80 -6.363 -6.821 0.759 1.00 21.23 H new ATOM 0 HD23 LEU A 80 -5.762 -7.917 2.025 1.00 21.23 H new ATOM 1382 N PRO A 81 -7.077 -9.984 2.982 1.00 63.32 N ATOM 1383 CA PRO A 81 -7.996 -9.522 4.030 1.00 62.12 C ATOM 1384 C PRO A 81 -8.337 -8.040 3.897 1.00 31.43 C ATOM 1385 O PRO A 81 -7.471 -7.213 3.601 1.00 72.11 O ATOM 1386 CB PRO A 81 -7.225 -9.777 5.329 1.00 43.45 C ATOM 1387 CG PRO A 81 -6.231 -10.830 4.982 1.00 5.23 C ATOM 1388 CD PRO A 81 -5.856 -10.584 3.550 1.00 62.43 C ATOM 0 HA PRO A 81 -8.954 -10.040 3.980 1.00 62.12 H new ATOM 0 HB2 PRO A 81 -6.734 -8.870 5.682 1.00 43.45 H new ATOM 0 HB3 PRO A 81 -7.891 -10.109 6.125 1.00 43.45 H new ATOM 0 HG2 PRO A 81 -5.357 -10.771 5.631 1.00 5.23 H new ATOM 0 HG3 PRO A 81 -6.656 -11.826 5.109 1.00 5.23 H new ATOM 0 HD2 PRO A 81 -5.001 -9.913 3.467 1.00 62.43 H new ATOM 0 HD3 PRO A 81 -5.586 -11.509 3.040 1.00 62.43 H new ATOM 1396 N ALA A 82 -9.603 -7.716 4.127 1.00 33.23 N ATOM 1397 CA ALA A 82 -10.085 -6.351 3.997 1.00 22.11 C ATOM 1398 C ALA A 82 -9.544 -5.465 5.112 1.00 44.43 C ATOM 1399 O ALA A 82 -10.071 -5.452 6.225 1.00 74.33 O ATOM 1400 CB ALA A 82 -11.605 -6.329 3.991 1.00 1.11 C ATOM 0 H ALA A 82 -10.318 -8.388 4.407 1.00 33.23 H new ATOM 0 HA ALA A 82 -9.722 -5.953 3.049 1.00 22.11 H new ATOM 0 HB1 ALA A 82 -11.954 -5.301 3.893 1.00 1.11 H new ATOM 0 HB2 ALA A 82 -11.974 -6.919 3.152 1.00 1.11 H new ATOM 0 HB3 ALA A 82 -11.979 -6.752 4.924 1.00 1.11 H new ATOM 1406 N MET A 83 -8.476 -4.749 4.807 1.00 63.53 N ATOM 1407 CA MET A 83 -7.889 -3.793 5.732 1.00 22.32 C ATOM 1408 C MET A 83 -7.147 -2.715 4.952 1.00 73.44 C ATOM 1409 O MET A 83 -6.851 -2.893 3.771 1.00 4.42 O ATOM 1410 CB MET A 83 -6.966 -4.493 6.738 1.00 20.21 C ATOM 1411 CG MET A 83 -5.960 -5.445 6.113 1.00 65.22 C ATOM 1412 SD MET A 83 -5.043 -6.382 7.350 1.00 35.11 S ATOM 1413 CE MET A 83 -4.095 -7.488 6.312 1.00 73.44 C ATOM 0 H MET A 83 -7.991 -4.813 3.912 1.00 63.53 H new ATOM 0 HA MET A 83 -8.686 -3.320 6.305 1.00 22.32 H new ATOM 0 HB2 MET A 83 -6.426 -3.735 7.305 1.00 20.21 H new ATOM 0 HB3 MET A 83 -7.578 -5.047 7.449 1.00 20.21 H new ATOM 0 HG2 MET A 83 -6.481 -6.136 5.450 1.00 65.22 H new ATOM 0 HG3 MET A 83 -5.261 -4.878 5.498 1.00 65.22 H new ATOM 0 HE1 MET A 83 -4.182 -8.506 6.690 1.00 73.44 H new ATOM 0 HE2 MET A 83 -4.477 -7.446 5.292 1.00 73.44 H new ATOM 0 HE3 MET A 83 -3.048 -7.186 6.320 1.00 73.44 H new ATOM 1423 N ASP A 84 -6.872 -1.600 5.610 1.00 0.11 N ATOM 1424 CA ASP A 84 -6.304 -0.428 4.945 1.00 52.23 C ATOM 1425 C ASP A 84 -4.806 -0.586 4.690 1.00 32.03 C ATOM 1426 O ASP A 84 -4.088 -1.189 5.490 1.00 74.45 O ATOM 1427 CB ASP A 84 -6.581 0.823 5.787 1.00 71.00 C ATOM 1428 CG ASP A 84 -5.797 2.041 5.338 1.00 22.40 C ATOM 1429 OD1 ASP A 84 -6.037 2.531 4.217 1.00 51.35 O ATOM 1430 OD2 ASP A 84 -4.947 2.523 6.117 1.00 74.13 O ATOM 0 H ASP A 84 -7.032 -1.477 6.610 1.00 0.11 H new ATOM 0 HA ASP A 84 -6.783 -0.325 3.971 1.00 52.23 H new ATOM 0 HB2 ASP A 84 -7.646 1.051 5.745 1.00 71.00 H new ATOM 0 HB3 ASP A 84 -6.341 0.610 6.829 1.00 71.00 H new ATOM 1435 N PHE A 85 -4.358 -0.059 3.557 1.00 63.50 N ATOM 1436 CA PHE A 85 -2.947 -0.064 3.187 1.00 24.14 C ATOM 1437 C PHE A 85 -2.591 1.254 2.513 1.00 74.25 C ATOM 1438 O PHE A 85 -3.365 1.772 1.709 1.00 73.52 O ATOM 1439 CB PHE A 85 -2.624 -1.224 2.235 1.00 53.54 C ATOM 1440 CG PHE A 85 -2.693 -2.586 2.867 1.00 53.05 C ATOM 1441 CD1 PHE A 85 -1.666 -3.038 3.679 1.00 35.34 C ATOM 1442 CD2 PHE A 85 -3.781 -3.414 2.647 1.00 62.11 C ATOM 1443 CE1 PHE A 85 -1.723 -4.291 4.261 1.00 43.22 C ATOM 1444 CE2 PHE A 85 -3.845 -4.667 3.225 1.00 73.12 C ATOM 1445 CZ PHE A 85 -2.814 -5.107 4.033 1.00 75.15 C ATOM 0 H PHE A 85 -4.964 0.385 2.867 1.00 63.50 H new ATOM 0 HA PHE A 85 -2.359 -0.191 4.096 1.00 24.14 H new ATOM 0 HB2 PHE A 85 -3.317 -1.192 1.395 1.00 53.54 H new ATOM 0 HB3 PHE A 85 -1.623 -1.076 1.829 1.00 53.54 H new ATOM 0 HD1 PHE A 85 -0.810 -2.404 3.860 1.00 35.34 H new ATOM 0 HD2 PHE A 85 -4.589 -3.076 2.016 1.00 62.11 H new ATOM 0 HE1 PHE A 85 -0.916 -4.631 4.893 1.00 43.22 H new ATOM 0 HE2 PHE A 85 -4.700 -5.302 3.046 1.00 73.12 H new ATOM 0 HZ PHE A 85 -2.861 -6.087 4.485 1.00 75.15 H new ATOM 1455 N VAL A 86 -1.422 1.790 2.833 1.00 52.14 N ATOM 1456 CA VAL A 86 -0.995 3.065 2.272 1.00 23.15 C ATOM 1457 C VAL A 86 0.062 2.855 1.196 1.00 64.32 C ATOM 1458 O VAL A 86 1.181 2.436 1.481 1.00 1.13 O ATOM 1459 CB VAL A 86 -0.437 4.011 3.357 1.00 30.41 C ATOM 1460 CG1 VAL A 86 -0.024 5.349 2.754 1.00 24.32 C ATOM 1461 CG2 VAL A 86 -1.463 4.219 4.461 1.00 22.32 C ATOM 0 H VAL A 86 -0.754 1.364 3.476 1.00 52.14 H new ATOM 0 HA VAL A 86 -1.877 3.528 1.831 1.00 23.15 H new ATOM 0 HB VAL A 86 0.449 3.546 3.789 1.00 30.41 H new ATOM 0 HG11 VAL A 86 0.366 5.997 3.539 1.00 24.32 H new ATOM 0 HG12 VAL A 86 0.748 5.186 2.002 1.00 24.32 H new ATOM 0 HG13 VAL A 86 -0.890 5.822 2.290 1.00 24.32 H new ATOM 0 HG21 VAL A 86 -1.053 4.888 5.217 1.00 22.32 H new ATOM 0 HG22 VAL A 86 -2.367 4.658 4.039 1.00 22.32 H new ATOM 0 HG23 VAL A 86 -1.705 3.260 4.918 1.00 22.32 H new ATOM 1471 N VAL A 87 -0.305 3.134 -0.042 1.00 14.43 N ATOM 1472 CA VAL A 87 0.615 3.010 -1.160 1.00 34.43 C ATOM 1473 C VAL A 87 1.230 4.367 -1.491 1.00 53.15 C ATOM 1474 O VAL A 87 0.519 5.361 -1.617 1.00 11.53 O ATOM 1475 CB VAL A 87 -0.102 2.458 -2.409 1.00 21.32 C ATOM 1476 CG1 VAL A 87 0.871 2.281 -3.561 1.00 51.05 C ATOM 1477 CG2 VAL A 87 -0.800 1.143 -2.094 1.00 53.41 C ATOM 0 H VAL A 87 -1.240 3.450 -0.300 1.00 14.43 H new ATOM 0 HA VAL A 87 1.401 2.313 -0.869 1.00 34.43 H new ATOM 0 HB VAL A 87 -0.857 3.185 -2.710 1.00 21.32 H new ATOM 0 HG11 VAL A 87 0.340 1.891 -4.429 1.00 51.05 H new ATOM 0 HG12 VAL A 87 1.318 3.243 -3.811 1.00 51.05 H new ATOM 0 HG13 VAL A 87 1.655 1.582 -3.271 1.00 51.05 H new ATOM 0 HG21 VAL A 87 -1.299 0.772 -2.989 1.00 53.41 H new ATOM 0 HG22 VAL A 87 -0.064 0.412 -1.759 1.00 53.41 H new ATOM 0 HG23 VAL A 87 -1.537 1.302 -1.307 1.00 53.41 H new ATOM 1487 N VAL A 88 2.548 4.403 -1.619 1.00 34.13 N ATOM 1488 CA VAL A 88 3.258 5.632 -1.943 1.00 34.50 C ATOM 1489 C VAL A 88 3.956 5.496 -3.295 1.00 33.22 C ATOM 1490 O VAL A 88 4.672 4.520 -3.540 1.00 43.12 O ATOM 1491 CB VAL A 88 4.298 5.993 -0.857 1.00 73.11 C ATOM 1492 CG1 VAL A 88 5.032 7.279 -1.211 1.00 3.14 C ATOM 1493 CG2 VAL A 88 3.630 6.123 0.506 1.00 74.25 C ATOM 0 H VAL A 88 3.151 3.589 -1.502 1.00 34.13 H new ATOM 0 HA VAL A 88 2.522 6.435 -1.989 1.00 34.50 H new ATOM 0 HB VAL A 88 5.028 5.185 -0.810 1.00 73.11 H new ATOM 0 HG11 VAL A 88 5.757 7.510 -0.431 1.00 3.14 H new ATOM 0 HG12 VAL A 88 5.549 7.153 -2.162 1.00 3.14 H new ATOM 0 HG13 VAL A 88 4.315 8.096 -1.294 1.00 3.14 H new ATOM 0 HG21 VAL A 88 4.379 6.377 1.256 1.00 74.25 H new ATOM 0 HG22 VAL A 88 2.874 6.908 0.467 1.00 74.25 H new ATOM 0 HG23 VAL A 88 3.158 5.177 0.771 1.00 74.25 H new ATOM 1503 N ALA A 89 3.743 6.473 -4.165 1.00 32.32 N ATOM 1504 CA ALA A 89 4.310 6.447 -5.505 1.00 52.45 C ATOM 1505 C ALA A 89 5.710 7.049 -5.513 1.00 12.51 C ATOM 1506 O ALA A 89 5.932 8.141 -4.982 1.00 5.35 O ATOM 1507 CB ALA A 89 3.403 7.188 -6.478 1.00 43.22 C ATOM 0 H ALA A 89 3.178 7.298 -3.965 1.00 32.32 H new ATOM 0 HA ALA A 89 4.387 5.408 -5.824 1.00 52.45 H new ATOM 0 HB1 ALA A 89 3.840 7.160 -7.476 1.00 43.22 H new ATOM 0 HB2 ALA A 89 2.423 6.711 -6.498 1.00 43.22 H new ATOM 0 HB3 ALA A 89 3.295 8.224 -6.158 1.00 43.22 H new ATOM 1513 N LYS A 90 6.649 6.325 -6.101 1.00 73.42 N ATOM 1514 CA LYS A 90 8.021 6.795 -6.222 1.00 12.02 C ATOM 1515 C LYS A 90 8.256 7.373 -7.614 1.00 62.31 C ATOM 1516 O LYS A 90 7.413 7.241 -8.504 1.00 13.51 O ATOM 1517 CB LYS A 90 9.008 5.652 -5.965 1.00 14.42 C ATOM 1518 CG LYS A 90 9.007 5.132 -4.533 1.00 60.31 C ATOM 1519 CD LYS A 90 9.621 6.134 -3.567 1.00 21.41 C ATOM 1520 CE LYS A 90 9.779 5.542 -2.174 1.00 41.44 C ATOM 1521 NZ LYS A 90 10.500 6.462 -1.255 1.00 41.53 N ATOM 0 H LYS A 90 6.485 5.403 -6.505 1.00 73.42 H new ATOM 0 HA LYS A 90 8.184 7.573 -5.476 1.00 12.02 H new ATOM 0 HB2 LYS A 90 8.774 4.828 -6.639 1.00 14.42 H new ATOM 0 HB3 LYS A 90 10.013 5.992 -6.215 1.00 14.42 H new ATOM 0 HG2 LYS A 90 7.984 4.912 -4.227 1.00 60.31 H new ATOM 0 HG3 LYS A 90 9.562 4.195 -4.486 1.00 60.31 H new ATOM 0 HD2 LYS A 90 10.594 6.452 -3.941 1.00 21.41 H new ATOM 0 HD3 LYS A 90 8.993 7.024 -3.516 1.00 21.41 H new ATOM 0 HE2 LYS A 90 8.795 5.316 -1.762 1.00 41.44 H new ATOM 0 HE3 LYS A 90 10.321 4.598 -2.241 1.00 41.44 H new ATOM 0 HZ1 LYS A 90 10.586 6.020 -0.318 1.00 41.53 H new ATOM 0 HZ2 LYS A 90 11.449 6.658 -1.633 1.00 41.53 H new ATOM 0 HZ3 LYS A 90 9.971 7.353 -1.170 1.00 41.53 H new ATOM 1535 N LYS A 91 9.416 7.987 -7.809 1.00 21.42 N ATOM 1536 CA LYS A 91 9.749 8.613 -9.085 1.00 72.51 C ATOM 1537 C LYS A 91 10.279 7.587 -10.086 1.00 42.52 C ATOM 1538 O LYS A 91 11.406 7.688 -10.572 1.00 44.21 O ATOM 1539 CB LYS A 91 10.754 9.754 -8.878 1.00 74.30 C ATOM 1540 CG LYS A 91 11.887 9.420 -7.921 1.00 64.33 C ATOM 1541 CD LYS A 91 12.739 10.645 -7.640 1.00 2.14 C ATOM 1542 CE LYS A 91 13.827 10.361 -6.616 1.00 41.23 C ATOM 1543 NZ LYS A 91 14.827 9.383 -7.115 1.00 54.32 N ATOM 0 H LYS A 91 10.144 8.066 -7.099 1.00 21.42 H new ATOM 0 HA LYS A 91 8.835 9.034 -9.503 1.00 72.51 H new ATOM 0 HB2 LYS A 91 11.178 10.029 -9.844 1.00 74.30 H new ATOM 0 HB3 LYS A 91 10.222 10.628 -8.503 1.00 74.30 H new ATOM 0 HG2 LYS A 91 11.478 9.035 -6.987 1.00 64.33 H new ATOM 0 HG3 LYS A 91 12.507 8.631 -8.347 1.00 64.33 H new ATOM 0 HD2 LYS A 91 13.196 10.989 -8.568 1.00 2.14 H new ATOM 0 HD3 LYS A 91 12.103 11.453 -7.279 1.00 2.14 H new ATOM 0 HE2 LYS A 91 14.331 11.292 -6.356 1.00 41.23 H new ATOM 0 HE3 LYS A 91 13.372 9.979 -5.702 1.00 41.23 H new ATOM 0 HZ1 LYS A 91 15.602 9.297 -6.427 1.00 54.32 H new ATOM 0 HZ2 LYS A 91 14.373 8.456 -7.242 1.00 54.32 H new ATOM 0 HZ3 LYS A 91 15.208 9.710 -8.026 1.00 54.32 H new ATOM 1557 N GLY A 92 9.455 6.591 -10.374 1.00 74.25 N ATOM 1558 CA GLY A 92 9.808 5.596 -11.367 1.00 73.33 C ATOM 1559 C GLY A 92 8.611 4.781 -11.819 1.00 63.30 C ATOM 1560 O GLY A 92 8.766 3.737 -12.451 1.00 14.24 O ATOM 0 H GLY A 92 8.544 6.453 -9.936 1.00 74.25 H new ATOM 0 HA2 GLY A 92 10.255 6.090 -12.230 1.00 73.33 H new ATOM 0 HA3 GLY A 92 10.565 4.928 -10.955 1.00 73.33 H new ATOM 1564 N VAL A 93 7.414 5.263 -11.502 1.00 63.03 N ATOM 1565 CA VAL A 93 6.194 4.537 -11.822 1.00 64.10 C ATOM 1566 C VAL A 93 5.227 5.433 -12.605 1.00 50.52 C ATOM 1567 O VAL A 93 4.105 5.040 -12.918 1.00 65.10 O ATOM 1568 CB VAL A 93 5.517 4.012 -10.530 1.00 21.20 C ATOM 1569 CG1 VAL A 93 4.872 5.143 -9.741 1.00 74.02 C ATOM 1570 CG2 VAL A 93 4.511 2.910 -10.842 1.00 3.30 C ATOM 0 H VAL A 93 7.264 6.152 -11.025 1.00 63.03 H new ATOM 0 HA VAL A 93 6.457 3.682 -12.445 1.00 64.10 H new ATOM 0 HB VAL A 93 6.297 3.580 -9.903 1.00 21.20 H new ATOM 0 HG11 VAL A 93 4.407 4.740 -8.842 1.00 74.02 H new ATOM 0 HG12 VAL A 93 5.633 5.871 -9.461 1.00 74.02 H new ATOM 0 HG13 VAL A 93 4.114 5.629 -10.355 1.00 74.02 H new ATOM 0 HG21 VAL A 93 4.053 2.562 -9.916 1.00 3.30 H new ATOM 0 HG22 VAL A 93 3.738 3.300 -11.505 1.00 3.30 H new ATOM 0 HG23 VAL A 93 5.021 2.079 -11.329 1.00 3.30 H new ATOM 1580 N ALA A 94 5.689 6.628 -12.954 1.00 72.14 N ATOM 1581 CA ALA A 94 4.838 7.601 -13.633 1.00 14.22 C ATOM 1582 C ALA A 94 4.767 7.304 -15.125 1.00 71.13 C ATOM 1583 O ALA A 94 3.768 7.587 -15.786 1.00 13.14 O ATOM 1584 CB ALA A 94 5.349 9.014 -13.398 1.00 22.55 C ATOM 0 H ALA A 94 6.642 6.946 -12.780 1.00 72.14 H new ATOM 0 HA ALA A 94 3.833 7.523 -13.218 1.00 14.22 H new ATOM 0 HB1 ALA A 94 4.702 9.725 -13.912 1.00 22.55 H new ATOM 0 HB2 ALA A 94 5.347 9.228 -12.329 1.00 22.55 H new ATOM 0 HB3 ALA A 94 6.364 9.103 -13.784 1.00 22.55 H new ATOM 1590 N ASP A 95 5.846 6.743 -15.647 1.00 25.30 N ATOM 1591 CA ASP A 95 5.913 6.354 -17.046 1.00 34.11 C ATOM 1592 C ASP A 95 6.077 4.845 -17.153 1.00 5.20 C ATOM 1593 O ASP A 95 7.144 4.304 -16.856 1.00 33.21 O ATOM 1594 CB ASP A 95 7.070 7.067 -17.746 1.00 53.44 C ATOM 1595 CG ASP A 95 7.186 6.704 -19.213 1.00 41.25 C ATOM 1596 OD1 ASP A 95 6.376 7.207 -20.023 1.00 11.03 O ATOM 1597 OD2 ASP A 95 8.107 5.941 -19.568 1.00 62.42 O ATOM 0 H ASP A 95 6.695 6.546 -15.117 1.00 25.30 H new ATOM 0 HA ASP A 95 4.985 6.646 -17.538 1.00 34.11 H new ATOM 0 HB2 ASP A 95 6.935 8.145 -17.653 1.00 53.44 H new ATOM 0 HB3 ASP A 95 8.003 6.818 -17.240 1.00 53.44 H new ATOM 1602 N LEU A 96 5.015 4.166 -17.552 1.00 64.40 N ATOM 1603 CA LEU A 96 5.023 2.711 -17.601 1.00 72.13 C ATOM 1604 C LEU A 96 4.479 2.183 -18.923 1.00 4.21 C ATOM 1605 O LEU A 96 3.754 2.878 -19.637 1.00 53.32 O ATOM 1606 CB LEU A 96 4.239 2.132 -16.411 1.00 50.22 C ATOM 1607 CG LEU A 96 2.861 2.756 -16.136 1.00 24.33 C ATOM 1608 CD1 LEU A 96 1.820 2.275 -17.137 1.00 40.13 C ATOM 1609 CD2 LEU A 96 2.414 2.441 -14.716 1.00 72.34 C ATOM 0 H LEU A 96 4.138 4.596 -17.846 1.00 64.40 H new ATOM 0 HA LEU A 96 6.060 2.382 -17.529 1.00 72.13 H new ATOM 0 HB2 LEU A 96 4.104 1.063 -16.578 1.00 50.22 H new ATOM 0 HB3 LEU A 96 4.849 2.240 -15.514 1.00 50.22 H new ATOM 0 HG LEU A 96 2.956 3.836 -16.248 1.00 24.33 H new ATOM 0 HD11 LEU A 96 0.858 2.736 -16.912 1.00 40.13 H new ATOM 0 HD12 LEU A 96 2.129 2.553 -18.145 1.00 40.13 H new ATOM 0 HD13 LEU A 96 1.726 1.191 -17.072 1.00 40.13 H new ATOM 0 HD21 LEU A 96 1.437 2.889 -14.534 1.00 72.34 H new ATOM 0 HD22 LEU A 96 2.348 1.361 -14.587 1.00 72.34 H new ATOM 0 HD23 LEU A 96 3.137 2.848 -14.008 1.00 72.34 H new ATOM 1621 N ASP A 97 4.851 0.953 -19.239 1.00 70.43 N ATOM 1622 CA ASP A 97 4.377 0.277 -20.441 1.00 75.44 C ATOM 1623 C ASP A 97 3.103 -0.508 -20.129 1.00 44.23 C ATOM 1624 O ASP A 97 2.809 -0.781 -18.962 1.00 74.24 O ATOM 1625 CB ASP A 97 5.474 -0.657 -20.976 1.00 73.32 C ATOM 1626 CG ASP A 97 5.049 -1.428 -22.211 1.00 63.12 C ATOM 1627 OD1 ASP A 97 5.241 -0.915 -23.333 1.00 1.22 O ATOM 1628 OD2 ASP A 97 4.506 -2.539 -22.061 1.00 33.14 O ATOM 0 H ASP A 97 5.489 0.394 -18.672 1.00 70.43 H new ATOM 0 HA ASP A 97 4.146 1.017 -21.207 1.00 75.44 H new ATOM 0 HB2 ASP A 97 6.361 -0.069 -21.210 1.00 73.32 H new ATOM 0 HB3 ASP A 97 5.756 -1.362 -20.194 1.00 73.32 H new ATOM 1633 N ASN A 98 2.357 -0.875 -21.167 1.00 3.44 N ATOM 1634 CA ASN A 98 1.105 -1.613 -21.003 1.00 44.21 C ATOM 1635 C ASN A 98 1.339 -2.972 -20.350 1.00 25.31 C ATOM 1636 O ASN A 98 0.471 -3.482 -19.645 1.00 33.24 O ATOM 1637 CB ASN A 98 0.395 -1.803 -22.347 1.00 62.12 C ATOM 1638 CG ASN A 98 -0.196 -0.514 -22.888 1.00 70.23 C ATOM 1639 OD1 ASN A 98 -1.315 -0.136 -22.536 1.00 51.20 O ATOM 1640 ND2 ASN A 98 0.535 0.156 -23.768 1.00 35.13 N ATOM 0 H ASN A 98 2.599 -0.673 -22.137 1.00 3.44 H new ATOM 0 HA ASN A 98 0.468 -1.018 -20.348 1.00 44.21 H new ATOM 0 HB2 ASN A 98 1.102 -2.206 -23.072 1.00 62.12 H new ATOM 0 HB3 ASN A 98 -0.399 -2.541 -22.232 1.00 62.12 H new ATOM 0 HD21 ASN A 98 0.175 1.017 -24.179 1.00 35.13 H new ATOM 0 HD22 ASN A 98 1.457 -0.190 -24.034 1.00 35.13 H new ATOM 1647 N ARG A 99 2.501 -3.564 -20.590 1.00 32.12 N ATOM 1648 CA ARG A 99 2.846 -4.827 -19.953 1.00 71.33 C ATOM 1649 C ARG A 99 3.534 -4.578 -18.618 1.00 50.05 C ATOM 1650 O ARG A 99 3.424 -5.382 -17.693 1.00 30.41 O ATOM 1651 CB ARG A 99 3.752 -5.676 -20.848 1.00 45.02 C ATOM 1652 CG ARG A 99 4.190 -6.971 -20.179 1.00 52.42 C ATOM 1653 CD ARG A 99 5.225 -7.718 -20.994 1.00 52.20 C ATOM 1654 NE ARG A 99 5.822 -8.810 -20.225 1.00 54.10 N ATOM 1655 CZ ARG A 99 6.856 -9.537 -20.640 1.00 14.12 C ATOM 1656 NH1 ARG A 99 7.375 -9.329 -21.843 1.00 13.11 N ATOM 1657 NH2 ARG A 99 7.363 -10.482 -19.858 1.00 34.32 N ATOM 0 H ARG A 99 3.216 -3.193 -21.216 1.00 32.12 H new ATOM 0 HA ARG A 99 1.918 -5.375 -19.786 1.00 71.33 H new ATOM 0 HB2 ARG A 99 3.226 -5.910 -21.774 1.00 45.02 H new ATOM 0 HB3 ARG A 99 4.634 -5.096 -21.120 1.00 45.02 H new ATOM 0 HG2 ARG A 99 4.599 -6.748 -19.194 1.00 52.42 H new ATOM 0 HG3 ARG A 99 3.321 -7.610 -20.026 1.00 52.42 H new ATOM 0 HD2 ARG A 99 4.761 -8.117 -21.896 1.00 52.20 H new ATOM 0 HD3 ARG A 99 6.005 -7.028 -21.315 1.00 52.20 H new ATOM 0 HE ARG A 99 5.420 -9.028 -19.313 1.00 54.10 H new ATOM 0 HH11 ARG A 99 6.981 -8.611 -22.451 1.00 13.11 H new ATOM 0 HH12 ARG A 99 8.168 -9.887 -22.160 1.00 13.11 H new ATOM 0 HH21 ARG A 99 6.960 -10.652 -18.937 1.00 34.32 H new ATOM 0 HH22 ARG A 99 8.156 -11.038 -20.178 1.00 34.32 H new ATOM 1671 N ALA A 100 4.231 -3.452 -18.514 1.00 3.14 N ATOM 1672 CA ALA A 100 4.981 -3.119 -17.305 1.00 33.43 C ATOM 1673 C ALA A 100 4.065 -3.064 -16.086 1.00 43.31 C ATOM 1674 O ALA A 100 4.459 -3.449 -14.985 1.00 40.33 O ATOM 1675 CB ALA A 100 5.717 -1.798 -17.474 1.00 43.13 C ATOM 0 H ALA A 100 4.293 -2.752 -19.253 1.00 3.14 H new ATOM 0 HA ALA A 100 5.716 -3.908 -17.142 1.00 33.43 H new ATOM 0 HB1 ALA A 100 6.269 -1.570 -16.562 1.00 43.13 H new ATOM 0 HB2 ALA A 100 6.413 -1.873 -18.310 1.00 43.13 H new ATOM 0 HB3 ALA A 100 4.998 -1.003 -17.671 1.00 43.13 H new ATOM 1681 N LEU A 101 2.836 -2.604 -16.291 1.00 23.14 N ATOM 1682 CA LEU A 101 1.864 -2.536 -15.206 1.00 73.02 C ATOM 1683 C LEU A 101 1.386 -3.936 -14.814 1.00 74.22 C ATOM 1684 O LEU A 101 0.960 -4.161 -13.684 1.00 35.31 O ATOM 1685 CB LEU A 101 0.687 -1.617 -15.584 1.00 31.22 C ATOM 1686 CG LEU A 101 -0.048 -1.947 -16.890 1.00 30.03 C ATOM 1687 CD1 LEU A 101 -1.105 -3.020 -16.672 1.00 33.54 C ATOM 1688 CD2 LEU A 101 -0.676 -0.692 -17.477 1.00 22.40 C ATOM 0 H LEU A 101 2.490 -2.275 -17.192 1.00 23.14 H new ATOM 0 HA LEU A 101 2.352 -2.102 -14.333 1.00 73.02 H new ATOM 0 HB2 LEU A 101 -0.038 -1.639 -14.770 1.00 31.22 H new ATOM 0 HB3 LEU A 101 1.060 -0.595 -15.652 1.00 31.22 H new ATOM 0 HG LEU A 101 0.683 -2.337 -17.598 1.00 30.03 H new ATOM 0 HD11 LEU A 101 -1.608 -3.232 -17.615 1.00 33.54 H new ATOM 0 HD12 LEU A 101 -0.630 -3.929 -16.302 1.00 33.54 H new ATOM 0 HD13 LEU A 101 -1.835 -2.669 -15.942 1.00 33.54 H new ATOM 0 HD21 LEU A 101 -1.193 -0.943 -18.403 1.00 22.40 H new ATOM 0 HD22 LEU A 101 -1.388 -0.274 -16.765 1.00 22.40 H new ATOM 0 HD23 LEU A 101 0.103 0.042 -17.684 1.00 22.40 H new ATOM 1700 N SER A 102 1.481 -4.877 -15.748 1.00 41.34 N ATOM 1701 CA SER A 102 1.128 -6.263 -15.475 1.00 70.45 C ATOM 1702 C SER A 102 2.275 -6.951 -14.738 1.00 75.11 C ATOM 1703 O SER A 102 2.053 -7.777 -13.850 1.00 74.03 O ATOM 1704 CB SER A 102 0.827 -7.002 -16.780 1.00 33.11 C ATOM 1705 OG SER A 102 -0.038 -6.245 -17.614 1.00 1.42 O ATOM 0 H SER A 102 1.800 -4.703 -16.701 1.00 41.34 H new ATOM 0 HA SER A 102 0.235 -6.283 -14.850 1.00 70.45 H new ATOM 0 HB2 SER A 102 1.758 -7.206 -17.308 1.00 33.11 H new ATOM 0 HB3 SER A 102 0.369 -7.966 -16.557 1.00 33.11 H new ATOM 0 HG SER A 102 -0.212 -6.741 -18.441 1.00 1.42 H new ATOM 1711 N GLU A 103 3.502 -6.596 -15.112 1.00 21.13 N ATOM 1712 CA GLU A 103 4.694 -7.125 -14.458 1.00 60.25 C ATOM 1713 C GLU A 103 4.730 -6.694 -12.995 1.00 71.53 C ATOM 1714 O GLU A 103 5.006 -7.495 -12.102 1.00 63.33 O ATOM 1715 CB GLU A 103 5.960 -6.634 -15.170 1.00 54.11 C ATOM 1716 CG GLU A 103 6.040 -7.020 -16.640 1.00 72.23 C ATOM 1717 CD GLU A 103 6.043 -8.519 -16.863 1.00 22.44 C ATOM 1718 OE1 GLU A 103 6.989 -9.192 -16.399 1.00 54.10 O ATOM 1719 OE2 GLU A 103 5.115 -9.031 -17.523 1.00 74.15 O ATOM 0 H GLU A 103 3.696 -5.940 -15.869 1.00 21.13 H new ATOM 0 HA GLU A 103 4.658 -8.213 -14.510 1.00 60.25 H new ATOM 0 HB2 GLU A 103 6.011 -5.548 -15.088 1.00 54.11 H new ATOM 0 HB3 GLU A 103 6.832 -7.034 -14.653 1.00 54.11 H new ATOM 0 HG2 GLU A 103 5.195 -6.582 -17.171 1.00 72.23 H new ATOM 0 HG3 GLU A 103 6.945 -6.593 -17.073 1.00 72.23 H new ATOM 1726 N ALA A 104 4.435 -5.423 -12.758 1.00 0.23 N ATOM 1727 CA ALA A 104 4.432 -4.874 -11.409 1.00 72.10 C ATOM 1728 C ALA A 104 3.219 -5.359 -10.625 1.00 73.14 C ATOM 1729 O ALA A 104 3.237 -5.391 -9.396 1.00 14.43 O ATOM 1730 CB ALA A 104 4.456 -3.356 -11.459 1.00 31.21 C ATOM 0 H ALA A 104 4.194 -4.750 -13.486 1.00 0.23 H new ATOM 0 HA ALA A 104 5.328 -5.224 -10.897 1.00 72.10 H new ATOM 0 HB1 ALA A 104 4.453 -2.958 -10.444 1.00 31.21 H new ATOM 0 HB2 ALA A 104 5.356 -3.023 -11.977 1.00 31.21 H new ATOM 0 HB3 ALA A 104 3.576 -2.996 -11.992 1.00 31.21 H new ATOM 1736 N LEU A 105 2.176 -5.754 -11.349 1.00 61.12 N ATOM 1737 CA LEU A 105 0.930 -6.206 -10.738 1.00 14.52 C ATOM 1738 C LEU A 105 1.183 -7.403 -9.823 1.00 74.40 C ATOM 1739 O LEU A 105 0.674 -7.454 -8.701 1.00 70.24 O ATOM 1740 CB LEU A 105 -0.087 -6.559 -11.836 1.00 54.43 C ATOM 1741 CG LEU A 105 -1.537 -6.768 -11.384 1.00 74.24 C ATOM 1742 CD1 LEU A 105 -2.483 -6.555 -12.556 1.00 41.35 C ATOM 1743 CD2 LEU A 105 -1.739 -8.164 -10.808 1.00 12.13 C ATOM 0 H LEU A 105 2.170 -5.770 -12.369 1.00 61.12 H new ATOM 0 HA LEU A 105 0.521 -5.401 -10.127 1.00 14.52 H new ATOM 0 HB2 LEU A 105 -0.073 -5.764 -12.582 1.00 54.43 H new ATOM 0 HB3 LEU A 105 0.250 -7.469 -12.333 1.00 54.43 H new ATOM 0 HG LEU A 105 -1.755 -6.040 -10.602 1.00 74.24 H new ATOM 0 HD11 LEU A 105 -3.511 -6.705 -12.226 1.00 41.35 H new ATOM 0 HD12 LEU A 105 -2.369 -5.540 -12.936 1.00 41.35 H new ATOM 0 HD13 LEU A 105 -2.248 -7.267 -13.347 1.00 41.35 H new ATOM 0 HD21 LEU A 105 -2.777 -8.282 -10.496 1.00 12.13 H new ATOM 0 HD22 LEU A 105 -1.501 -8.909 -11.567 1.00 12.13 H new ATOM 0 HD23 LEU A 105 -1.084 -8.301 -9.948 1.00 12.13 H new ATOM 1755 N GLU A 106 1.991 -8.353 -10.287 1.00 54.32 N ATOM 1756 CA GLU A 106 2.251 -9.553 -9.506 1.00 53.21 C ATOM 1757 C GLU A 106 3.127 -9.224 -8.301 1.00 21.12 C ATOM 1758 O GLU A 106 3.059 -9.901 -7.282 1.00 71.43 O ATOM 1759 CB GLU A 106 2.897 -10.659 -10.360 1.00 30.31 C ATOM 1760 CG GLU A 106 4.339 -10.389 -10.762 1.00 20.45 C ATOM 1761 CD GLU A 106 5.313 -11.395 -10.170 1.00 43.41 C ATOM 1762 OE1 GLU A 106 5.646 -11.282 -8.972 1.00 12.23 O ATOM 1763 OE2 GLU A 106 5.775 -12.290 -10.906 1.00 73.02 O ATOM 0 H GLU A 106 2.470 -8.315 -11.187 1.00 54.32 H new ATOM 0 HA GLU A 106 1.292 -9.931 -9.151 1.00 53.21 H new ATOM 0 HB2 GLU A 106 2.858 -11.597 -9.806 1.00 30.31 H new ATOM 0 HB3 GLU A 106 2.302 -10.797 -11.263 1.00 30.31 H new ATOM 0 HG2 GLU A 106 4.418 -10.409 -11.849 1.00 20.45 H new ATOM 0 HG3 GLU A 106 4.619 -9.386 -10.441 1.00 20.45 H new ATOM 1770 N LYS A 107 3.920 -8.160 -8.404 1.00 1.53 N ATOM 1771 CA LYS A 107 4.816 -7.778 -7.315 1.00 40.43 C ATOM 1772 C LYS A 107 4.007 -7.249 -6.136 1.00 32.35 C ATOM 1773 O LYS A 107 4.300 -7.547 -4.977 1.00 42.14 O ATOM 1774 CB LYS A 107 5.831 -6.711 -7.755 1.00 22.52 C ATOM 1775 CG LYS A 107 6.489 -6.960 -9.110 1.00 54.51 C ATOM 1776 CD LYS A 107 6.910 -8.411 -9.307 1.00 43.33 C ATOM 1777 CE LYS A 107 7.872 -8.899 -8.236 1.00 62.22 C ATOM 1778 NZ LYS A 107 8.082 -10.366 -8.335 1.00 51.31 N ATOM 0 H LYS A 107 3.961 -7.552 -9.222 1.00 1.53 H new ATOM 0 HA LYS A 107 5.369 -8.670 -7.020 1.00 40.43 H new ATOM 0 HB2 LYS A 107 5.328 -5.744 -7.785 1.00 22.52 H new ATOM 0 HB3 LYS A 107 6.611 -6.640 -6.997 1.00 22.52 H new ATOM 0 HG2 LYS A 107 5.796 -6.677 -9.902 1.00 54.51 H new ATOM 0 HG3 LYS A 107 7.364 -6.317 -9.207 1.00 54.51 H new ATOM 0 HD2 LYS A 107 6.023 -9.044 -9.307 1.00 43.33 H new ATOM 0 HD3 LYS A 107 7.379 -8.518 -10.285 1.00 43.33 H new ATOM 0 HE2 LYS A 107 8.827 -8.384 -8.339 1.00 62.22 H new ATOM 0 HE3 LYS A 107 7.480 -8.650 -7.250 1.00 62.22 H new ATOM 0 HZ1 LYS A 107 8.166 -10.770 -7.380 1.00 51.31 H new ATOM 0 HZ2 LYS A 107 7.274 -10.800 -8.825 1.00 51.31 H new ATOM 0 HZ3 LYS A 107 8.954 -10.557 -8.869 1.00 51.31 H new ATOM 1792 N LEU A 108 2.969 -6.482 -6.452 1.00 42.41 N ATOM 1793 CA LEU A 108 2.108 -5.881 -5.439 1.00 73.21 C ATOM 1794 C LEU A 108 1.181 -6.916 -4.810 1.00 52.32 C ATOM 1795 O LEU A 108 0.489 -6.622 -3.832 1.00 1.11 O ATOM 1796 CB LEU A 108 1.274 -4.739 -6.038 1.00 34.41 C ATOM 1797 CG LEU A 108 1.952 -3.364 -6.071 1.00 14.52 C ATOM 1798 CD1 LEU A 108 3.199 -3.382 -6.942 1.00 4.32 C ATOM 1799 CD2 LEU A 108 0.976 -2.308 -6.562 1.00 43.13 C ATOM 0 H LEU A 108 2.702 -6.260 -7.411 1.00 42.41 H new ATOM 0 HA LEU A 108 2.757 -5.479 -4.661 1.00 73.21 H new ATOM 0 HB2 LEU A 108 0.998 -5.012 -7.057 1.00 34.41 H new ATOM 0 HB3 LEU A 108 0.348 -4.653 -5.469 1.00 34.41 H new ATOM 0 HG LEU A 108 2.260 -3.116 -5.055 1.00 14.52 H new ATOM 0 HD11 LEU A 108 3.656 -2.392 -6.944 1.00 4.32 H new ATOM 0 HD12 LEU A 108 3.909 -4.108 -6.546 1.00 4.32 H new ATOM 0 HD13 LEU A 108 2.927 -3.658 -7.961 1.00 4.32 H new ATOM 0 HD21 LEU A 108 1.470 -1.337 -6.581 1.00 43.13 H new ATOM 0 HD22 LEU A 108 0.639 -2.563 -7.567 1.00 43.13 H new ATOM 0 HD23 LEU A 108 0.118 -2.266 -5.891 1.00 43.13 H new ATOM 1811 N TRP A 109 1.166 -8.116 -5.374 1.00 54.25 N ATOM 1812 CA TRP A 109 0.350 -9.198 -4.843 1.00 43.33 C ATOM 1813 C TRP A 109 1.216 -10.261 -4.169 1.00 53.33 C ATOM 1814 O TRP A 109 0.917 -10.702 -3.062 1.00 2.01 O ATOM 1815 CB TRP A 109 -0.499 -9.822 -5.958 1.00 20.32 C ATOM 1816 CG TRP A 109 -1.286 -11.019 -5.514 1.00 64.51 C ATOM 1817 CD1 TRP A 109 -1.327 -12.241 -6.121 1.00 42.53 C ATOM 1818 CD2 TRP A 109 -2.129 -11.117 -4.360 1.00 14.12 C ATOM 1819 NE1 TRP A 109 -2.152 -13.086 -5.422 1.00 51.22 N ATOM 1820 CE2 TRP A 109 -2.653 -12.422 -4.337 1.00 13.23 C ATOM 1821 CE3 TRP A 109 -2.493 -10.228 -3.343 1.00 11.24 C ATOM 1822 CZ2 TRP A 109 -3.520 -12.858 -3.343 1.00 33.23 C ATOM 1823 CZ3 TRP A 109 -3.353 -10.666 -2.355 1.00 33.11 C ATOM 1824 CH2 TRP A 109 -3.858 -11.970 -2.360 1.00 14.52 C ATOM 0 H TRP A 109 1.710 -8.364 -6.200 1.00 54.25 H new ATOM 0 HA TRP A 109 -0.316 -8.781 -4.088 1.00 43.33 H new ATOM 0 HB2 TRP A 109 -1.186 -9.069 -6.345 1.00 20.32 H new ATOM 0 HB3 TRP A 109 0.154 -10.112 -6.782 1.00 20.32 H new ATOM 0 HD1 TRP A 109 -0.789 -12.504 -7.020 1.00 42.53 H new ATOM 0 HE1 TRP A 109 -2.358 -14.053 -5.672 1.00 51.22 H new ATOM 0 HE3 TRP A 109 -2.109 -9.219 -3.331 1.00 11.24 H new ATOM 0 HZ2 TRP A 109 -3.913 -13.864 -3.347 1.00 33.23 H new ATOM 0 HZ3 TRP A 109 -3.641 -9.989 -1.564 1.00 33.11 H new ATOM 0 HH2 TRP A 109 -4.528 -12.282 -1.572 1.00 14.52 H new ATOM 1835 N ARG A 110 2.297 -10.649 -4.831 1.00 3.20 N ATOM 1836 CA ARG A 110 3.168 -11.715 -4.344 1.00 41.55 C ATOM 1837 C ARG A 110 3.757 -11.363 -2.977 1.00 12.03 C ATOM 1838 O ARG A 110 3.715 -12.170 -2.048 1.00 31.33 O ATOM 1839 CB ARG A 110 4.286 -11.961 -5.356 1.00 53.15 C ATOM 1840 CG ARG A 110 4.579 -13.430 -5.606 1.00 20.23 C ATOM 1841 CD ARG A 110 5.502 -13.602 -6.799 1.00 25.22 C ATOM 1842 NE ARG A 110 5.760 -15.009 -7.102 1.00 22.22 N ATOM 1843 CZ ARG A 110 6.332 -15.430 -8.229 1.00 60.42 C ATOM 1844 NH1 ARG A 110 6.611 -14.568 -9.199 1.00 24.54 N ATOM 1845 NH2 ARG A 110 6.592 -16.720 -8.405 1.00 63.11 N ATOM 0 H ARG A 110 2.596 -10.238 -5.716 1.00 3.20 H new ATOM 0 HA ARG A 110 2.577 -12.623 -4.228 1.00 41.55 H new ATOM 0 HB2 ARG A 110 4.018 -11.488 -6.301 1.00 53.15 H new ATOM 0 HB3 ARG A 110 5.195 -11.474 -5.003 1.00 53.15 H new ATOM 0 HG2 ARG A 110 5.037 -13.870 -4.720 1.00 20.23 H new ATOM 0 HG3 ARG A 110 3.647 -13.966 -5.782 1.00 20.23 H new ATOM 0 HD2 ARG A 110 5.059 -13.120 -7.671 1.00 25.22 H new ATOM 0 HD3 ARG A 110 6.447 -13.096 -6.601 1.00 25.22 H new ATOM 0 HE ARG A 110 5.486 -15.708 -6.411 1.00 22.22 H new ATOM 0 HH11 ARG A 110 6.387 -13.580 -9.083 1.00 24.54 H new ATOM 0 HH12 ARG A 110 7.049 -14.894 -10.061 1.00 24.54 H new ATOM 0 HH21 ARG A 110 6.354 -17.392 -7.676 1.00 63.11 H new ATOM 0 HH22 ARG A 110 7.030 -17.039 -9.269 1.00 63.11 H new ATOM 1859 N ARG A 111 4.285 -10.152 -2.854 1.00 23.30 N ATOM 1860 CA ARG A 111 4.843 -9.690 -1.587 1.00 34.13 C ATOM 1861 C ARG A 111 3.717 -9.346 -0.608 1.00 44.31 C ATOM 1862 O ARG A 111 3.920 -9.279 0.606 1.00 62.14 O ATOM 1863 CB ARG A 111 5.734 -8.461 -1.814 1.00 13.53 C ATOM 1864 CG ARG A 111 6.408 -7.948 -0.549 1.00 41.14 C ATOM 1865 CD ARG A 111 7.516 -8.879 -0.086 1.00 14.32 C ATOM 1866 NE ARG A 111 8.720 -8.742 -0.901 1.00 32.42 N ATOM 1867 CZ ARG A 111 9.384 -9.762 -1.443 1.00 74.45 C ATOM 1868 NH1 ARG A 111 8.951 -11.008 -1.295 1.00 70.51 N ATOM 1869 NH2 ARG A 111 10.489 -9.530 -2.139 1.00 63.21 N ATOM 0 H ARG A 111 4.339 -9.473 -3.613 1.00 23.30 H new ATOM 0 HA ARG A 111 5.449 -10.490 -1.162 1.00 34.13 H new ATOM 0 HB2 ARG A 111 6.501 -8.710 -2.547 1.00 13.53 H new ATOM 0 HB3 ARG A 111 5.131 -7.661 -2.243 1.00 13.53 H new ATOM 0 HG2 ARG A 111 6.820 -6.956 -0.733 1.00 41.14 H new ATOM 0 HG3 ARG A 111 5.666 -7.844 0.242 1.00 41.14 H new ATOM 0 HD2 ARG A 111 7.757 -8.666 0.956 1.00 14.32 H new ATOM 0 HD3 ARG A 111 7.165 -9.910 -0.128 1.00 14.32 H new ATOM 0 HE ARG A 111 9.077 -7.801 -1.067 1.00 32.42 H new ATOM 0 HH11 ARG A 111 8.101 -11.193 -0.762 1.00 70.51 H new ATOM 0 HH12 ARG A 111 9.468 -11.781 -1.715 1.00 70.51 H new ATOM 0 HH21 ARG A 111 10.826 -8.575 -2.257 1.00 63.21 H new ATOM 0 HH22 ARG A 111 11.002 -10.307 -2.556 1.00 63.21 H new ATOM 1883 N HIS A 112 2.524 -9.148 -1.150 1.00 41.31 N ATOM 1884 CA HIS A 112 1.381 -8.715 -0.361 1.00 71.41 C ATOM 1885 C HIS A 112 0.748 -9.899 0.362 1.00 74.42 C ATOM 1886 O HIS A 112 0.477 -9.829 1.557 1.00 70.21 O ATOM 1887 CB HIS A 112 0.344 -8.063 -1.275 1.00 54.33 C ATOM 1888 CG HIS A 112 -0.502 -7.019 -0.619 1.00 0.21 C ATOM 1889 ND1 HIS A 112 -0.893 -5.870 -1.269 1.00 74.45 N ATOM 1890 CD2 HIS A 112 -1.045 -6.951 0.621 1.00 71.44 C ATOM 1891 CE1 HIS A 112 -1.631 -5.136 -0.460 1.00 42.42 C ATOM 1892 NE2 HIS A 112 -1.743 -5.771 0.694 1.00 40.32 N ATOM 0 H HIS A 112 2.322 -9.282 -2.141 1.00 41.31 H new ATOM 0 HA HIS A 112 1.724 -7.994 0.381 1.00 71.41 H new ATOM 0 HB2 HIS A 112 0.860 -7.612 -2.123 1.00 54.33 H new ATOM 0 HB3 HIS A 112 -0.307 -8.840 -1.674 1.00 54.33 H new ATOM 0 HD2 HIS A 112 -0.947 -7.687 1.405 1.00 71.44 H new ATOM 0 HE1 HIS A 112 -2.070 -4.179 -0.699 1.00 42.42 H new ATOM 0 HE2 HIS A 112 -2.263 -5.439 1.506 1.00 40.32 H new ATOM 1901 N CYS A 113 0.522 -10.977 -0.376 1.00 0.12 N ATOM 1902 CA CYS A 113 -0.165 -12.151 0.147 1.00 24.32 C ATOM 1903 C CYS A 113 0.620 -12.802 1.285 1.00 53.24 C ATOM 1904 O CYS A 113 0.055 -13.144 2.323 1.00 20.01 O ATOM 1905 CB CYS A 113 -0.394 -13.162 -0.979 1.00 31.33 C ATOM 1906 SG CYS A 113 -1.262 -14.654 -0.464 1.00 14.20 S ATOM 0 H CYS A 113 0.808 -11.063 -1.351 1.00 0.12 H new ATOM 0 HA CYS A 113 -1.125 -11.828 0.549 1.00 24.32 H new ATOM 0 HB2 CYS A 113 -0.962 -12.681 -1.775 1.00 31.33 H new ATOM 0 HB3 CYS A 113 0.571 -13.443 -1.402 1.00 31.33 H new ATOM 0 HG CYS A 113 -1.947 -15.124 -1.464 1.00 14.20 H new ATOM 1912 N ARG A 114 1.930 -12.943 1.095 1.00 12.00 N ATOM 1913 CA ARG A 114 2.790 -13.600 2.081 1.00 42.11 C ATOM 1914 C ARG A 114 2.802 -12.834 3.408 1.00 23.44 C ATOM 1915 O ARG A 114 3.145 -13.386 4.453 1.00 54.44 O ATOM 1916 CB ARG A 114 4.217 -13.718 1.530 1.00 32.50 C ATOM 1917 CG ARG A 114 5.157 -14.551 2.393 1.00 72.20 C ATOM 1918 CD ARG A 114 4.736 -16.012 2.437 1.00 30.42 C ATOM 1919 NE ARG A 114 5.654 -16.824 3.238 1.00 3.11 N ATOM 1920 CZ ARG A 114 6.077 -18.041 2.890 1.00 55.13 C ATOM 1921 NH1 ARG A 114 5.667 -18.593 1.754 1.00 43.34 N ATOM 1922 NH2 ARG A 114 6.907 -18.705 3.682 1.00 21.53 N ATOM 0 H ARG A 114 2.422 -12.611 0.265 1.00 12.00 H new ATOM 0 HA ARG A 114 2.390 -14.596 2.271 1.00 42.11 H new ATOM 0 HB2 ARG A 114 4.174 -14.157 0.533 1.00 32.50 H new ATOM 0 HB3 ARG A 114 4.635 -12.717 1.420 1.00 32.50 H new ATOM 0 HG2 ARG A 114 6.172 -14.477 2.002 1.00 72.20 H new ATOM 0 HG3 ARG A 114 5.175 -14.147 3.405 1.00 72.20 H new ATOM 0 HD2 ARG A 114 3.730 -16.087 2.851 1.00 30.42 H new ATOM 0 HD3 ARG A 114 4.693 -16.408 1.422 1.00 30.42 H new ATOM 0 HE ARG A 114 5.992 -16.435 4.118 1.00 3.11 H new ATOM 0 HH11 ARG A 114 5.026 -18.087 1.143 1.00 43.34 H new ATOM 0 HH12 ARG A 114 5.993 -19.523 1.492 1.00 43.34 H new ATOM 0 HH21 ARG A 114 7.222 -18.286 4.557 1.00 21.53 H new ATOM 0 HH22 ARG A 114 7.231 -19.635 3.417 1.00 21.53 H new ATOM 1936 N LEU A 115 2.421 -11.566 3.355 1.00 73.34 N ATOM 1937 CA LEU A 115 2.400 -10.727 4.542 1.00 52.53 C ATOM 1938 C LEU A 115 0.982 -10.605 5.094 1.00 54.41 C ATOM 1939 O LEU A 115 0.757 -10.763 6.291 1.00 22.51 O ATOM 1940 CB LEU A 115 2.952 -9.339 4.209 1.00 42.20 C ATOM 1941 CG LEU A 115 3.059 -8.370 5.389 1.00 2.43 C ATOM 1942 CD1 LEU A 115 4.038 -8.895 6.430 1.00 5.30 C ATOM 1943 CD2 LEU A 115 3.485 -6.996 4.902 1.00 21.31 C ATOM 0 H LEU A 115 2.122 -11.096 2.501 1.00 73.34 H new ATOM 0 HA LEU A 115 3.027 -11.191 5.303 1.00 52.53 H new ATOM 0 HB2 LEU A 115 3.942 -9.457 3.768 1.00 42.20 H new ATOM 0 HB3 LEU A 115 2.316 -8.888 3.448 1.00 42.20 H new ATOM 0 HG LEU A 115 2.078 -8.286 5.857 1.00 2.43 H new ATOM 0 HD11 LEU A 115 4.099 -8.191 7.260 1.00 5.30 H new ATOM 0 HD12 LEU A 115 3.694 -9.861 6.798 1.00 5.30 H new ATOM 0 HD13 LEU A 115 5.023 -9.009 5.978 1.00 5.30 H new ATOM 0 HD21 LEU A 115 3.558 -6.316 5.750 1.00 21.31 H new ATOM 0 HD22 LEU A 115 4.455 -7.069 4.411 1.00 21.31 H new ATOM 0 HD23 LEU A 115 2.748 -6.616 4.194 1.00 21.31 H new ATOM 1955 N ALA A 116 0.028 -10.348 4.206 1.00 33.25 N ATOM 1956 CA ALA A 116 -1.350 -10.068 4.603 1.00 55.32 C ATOM 1957 C ALA A 116 -2.036 -11.285 5.219 1.00 13.43 C ATOM 1958 O ALA A 116 -2.947 -11.141 6.035 1.00 32.25 O ATOM 1959 CB ALA A 116 -2.148 -9.567 3.409 1.00 10.54 C ATOM 0 H ALA A 116 0.184 -10.327 3.198 1.00 33.25 H new ATOM 0 HA ALA A 116 -1.314 -9.294 5.370 1.00 55.32 H new ATOM 0 HB1 ALA A 116 -3.173 -9.362 3.717 1.00 10.54 H new ATOM 0 HB2 ALA A 116 -1.694 -8.653 3.026 1.00 10.54 H new ATOM 0 HB3 ALA A 116 -2.149 -10.327 2.627 1.00 10.54 H new ATOM 1965 N ARG A 117 -1.607 -12.479 4.829 1.00 73.44 N ATOM 1966 CA ARG A 117 -2.203 -13.705 5.357 1.00 61.52 C ATOM 1967 C ARG A 117 -1.729 -13.992 6.781 1.00 74.03 C ATOM 1968 O ARG A 117 -2.269 -14.868 7.457 1.00 65.05 O ATOM 1969 CB ARG A 117 -1.890 -14.901 4.452 1.00 50.43 C ATOM 1970 CG ARG A 117 -2.676 -14.908 3.149 1.00 72.14 C ATOM 1971 CD ARG A 117 -2.388 -16.163 2.338 1.00 51.53 C ATOM 1972 NE ARG A 117 -2.643 -17.379 3.110 1.00 13.44 N ATOM 1973 CZ ARG A 117 -2.217 -18.593 2.766 1.00 60.22 C ATOM 1974 NH1 ARG A 117 -1.593 -18.786 1.607 1.00 34.03 N ATOM 1975 NH2 ARG A 117 -2.442 -19.623 3.573 1.00 4.11 N ATOM 0 H ARG A 117 -0.856 -12.627 4.155 1.00 73.44 H new ATOM 0 HA ARG A 117 -3.282 -13.553 5.380 1.00 61.52 H new ATOM 0 HB2 ARG A 117 -0.824 -14.902 4.223 1.00 50.43 H new ATOM 0 HB3 ARG A 117 -2.100 -15.822 4.997 1.00 50.43 H new ATOM 0 HG2 ARG A 117 -3.743 -14.848 3.365 1.00 72.14 H new ATOM 0 HG3 ARG A 117 -2.420 -14.026 2.562 1.00 72.14 H new ATOM 0 HD2 ARG A 117 -3.007 -16.166 1.441 1.00 51.53 H new ATOM 0 HD3 ARG A 117 -1.349 -16.153 2.009 1.00 51.53 H new ATOM 0 HE ARG A 117 -3.184 -17.291 3.970 1.00 13.44 H new ATOM 0 HH11 ARG A 117 -1.438 -18.001 0.974 1.00 34.03 H new ATOM 0 HH12 ARG A 117 -1.270 -19.719 1.351 1.00 34.03 H new ATOM 0 HH21 ARG A 117 -2.939 -19.483 4.452 1.00 4.11 H new ATOM 0 HH22 ARG A 117 -2.118 -20.555 3.314 1.00 4.11 H new