USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=16 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 77 GLN : amide:sc= -1.73! C(o=-1.8!,f=-6.7!) USER MOD Set 1.2: A 78 HIS : no HD1:sc= -0.101 X(o=-1.8,f=-1.7) USER MOD Single : A 17 GLN : amide:sc= -0.732! X(o=-0.73!,f=-0.37) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 26 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.038) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.245 USER MOD Single : A 32 GLN : amide:sc= -1.97 X(o=-2,f=-2.3) USER MOD Single : A 34 THR OG1 : rot -23:sc= 1.18 USER MOD Single : A 40 ASN : amide:sc= -0.0104 K(o=-0.01,f=-2.2) USER MOD Single : A 41 SER OG : rot 180:sc= 0.125 USER MOD Single : A 44 HIS :FLIP no HE2:sc= 0.329 F(o=-1.5!,f=0.33) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc=-0.00327 (180deg=-0.129) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.8!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0461 F(o=-1.1,f=-0.046) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0.673) USER MOD Single : A 69 THR OG1 : rot -86:sc= 1.33 USER MOD Single : A 72 SER OG : rot 180:sc= 0.344 USER MOD Single : A 83 MET CE :methyl -166:sc= -0.431 (180deg=-0.978) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0469 (180deg=-0.329) USER MOD Single : A 98 ASN : amide:sc=-0.00488 X(o=-0.0049,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -147:sc= 1.2 (180deg=1.12) USER MOD Single : A 112 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-3.1!) USER MOD Single : A 113 CYS SG : rot 83:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -4.603 6.945 10.810 1.00 64.23 N ATOM 281 CA GLN A 17 -3.940 5.721 10.382 1.00 1.23 C ATOM 282 C GLN A 17 -2.667 6.063 9.617 1.00 52.22 C ATOM 283 O GLN A 17 -1.698 5.307 9.632 1.00 63.04 O ATOM 284 CB GLN A 17 -4.861 4.860 9.506 1.00 55.23 C ATOM 285 CG GLN A 17 -6.249 4.635 10.093 1.00 23.41 C ATOM 286 CD GLN A 17 -7.244 5.687 9.642 1.00 61.12 C ATOM 287 OE1 GLN A 17 -7.395 6.733 10.276 1.00 62.22 O ATOM 288 NE2 GLN A 17 -7.931 5.418 8.545 1.00 64.53 N ATOM 0 HA GLN A 17 -3.689 5.145 11.272 1.00 1.23 H new ATOM 0 HB2 GLN A 17 -4.964 5.335 8.530 1.00 55.23 H new ATOM 0 HB3 GLN A 17 -4.387 3.892 9.341 1.00 55.23 H new ATOM 0 HG2 GLN A 17 -6.609 3.649 9.800 1.00 23.41 H new ATOM 0 HG3 GLN A 17 -6.186 4.641 11.181 1.00 23.41 H new ATOM 0 HE21 GLN A 17 -7.776 4.540 8.049 1.00 64.53 H new ATOM 0 HE22 GLN A 17 -8.616 6.088 8.195 1.00 64.53 H new ATOM 297 N PHE A 18 -2.666 7.232 8.982 1.00 52.13 N ATOM 298 CA PHE A 18 -1.516 7.692 8.211 1.00 1.14 C ATOM 299 C PHE A 18 -0.389 8.140 9.137 1.00 42.12 C ATOM 300 O PHE A 18 0.770 8.214 8.732 1.00 21.33 O ATOM 301 CB PHE A 18 -1.925 8.830 7.272 1.00 33.22 C ATOM 302 CG PHE A 18 -2.936 8.416 6.241 1.00 72.11 C ATOM 303 CD1 PHE A 18 -2.533 7.800 5.066 1.00 14.13 C ATOM 304 CD2 PHE A 18 -4.289 8.639 6.445 1.00 35.21 C ATOM 305 CE1 PHE A 18 -3.460 7.416 4.116 1.00 1.30 C ATOM 306 CE2 PHE A 18 -5.221 8.256 5.498 1.00 52.40 C ATOM 307 CZ PHE A 18 -4.806 7.643 4.332 1.00 54.51 C ATOM 0 H PHE A 18 -3.453 7.880 8.987 1.00 52.13 H new ATOM 0 HA PHE A 18 -1.151 6.860 7.609 1.00 1.14 H new ATOM 0 HB2 PHE A 18 -2.334 9.650 7.863 1.00 33.22 H new ATOM 0 HB3 PHE A 18 -1.038 9.212 6.767 1.00 33.22 H new ATOM 0 HD1 PHE A 18 -1.483 7.618 4.891 1.00 14.13 H new ATOM 0 HD2 PHE A 18 -4.619 9.118 7.355 1.00 35.21 H new ATOM 0 HE1 PHE A 18 -3.133 6.938 3.204 1.00 1.30 H new ATOM 0 HE2 PHE A 18 -6.272 8.436 5.670 1.00 52.40 H new ATOM 0 HZ PHE A 18 -5.532 7.342 3.591 1.00 54.51 H new ATOM 317 N THR A 19 -0.736 8.441 10.380 1.00 21.32 N ATOM 318 CA THR A 19 0.258 8.785 11.383 1.00 4.21 C ATOM 319 C THR A 19 0.810 7.510 12.018 1.00 22.21 C ATOM 320 O THR A 19 2.011 7.385 12.264 1.00 72.22 O ATOM 321 CB THR A 19 -0.351 9.680 12.481 1.00 62.12 C ATOM 322 OG1 THR A 19 -1.127 10.727 11.882 1.00 43.51 O ATOM 323 CG2 THR A 19 0.736 10.291 13.357 1.00 55.13 C ATOM 0 H THR A 19 -1.699 8.454 10.717 1.00 21.32 H new ATOM 0 HA THR A 19 1.062 9.335 10.893 1.00 4.21 H new ATOM 0 HB THR A 19 -0.991 9.059 13.107 1.00 62.12 H new ATOM 0 HG1 THR A 19 -1.513 11.291 12.584 1.00 43.51 H new ATOM 0 HG21 THR A 19 0.277 10.917 14.122 1.00 55.13 H new ATOM 0 HG22 THR A 19 1.309 9.496 13.834 1.00 55.13 H new ATOM 0 HG23 THR A 19 1.401 10.898 12.742 1.00 55.13 H new ATOM 331 N PHE A 20 -0.083 6.554 12.248 1.00 52.24 N ATOM 332 CA PHE A 20 0.273 5.290 12.877 1.00 30.42 C ATOM 333 C PHE A 20 1.144 4.445 11.948 1.00 31.44 C ATOM 334 O PHE A 20 2.058 3.751 12.393 1.00 25.20 O ATOM 335 CB PHE A 20 -1.006 4.531 13.247 1.00 12.32 C ATOM 336 CG PHE A 20 -0.774 3.242 13.987 1.00 31.31 C ATOM 337 CD1 PHE A 20 -0.387 3.252 15.318 1.00 42.43 C ATOM 338 CD2 PHE A 20 -0.957 2.020 13.356 1.00 44.42 C ATOM 339 CE1 PHE A 20 -0.184 2.070 16.005 1.00 2.14 C ATOM 340 CE2 PHE A 20 -0.753 0.834 14.038 1.00 22.32 C ATOM 341 CZ PHE A 20 -0.366 0.859 15.364 1.00 71.24 C ATOM 0 H PHE A 20 -1.070 6.634 12.004 1.00 52.24 H new ATOM 0 HA PHE A 20 0.849 5.494 13.780 1.00 30.42 H new ATOM 0 HB2 PHE A 20 -1.634 5.179 13.859 1.00 12.32 H new ATOM 0 HB3 PHE A 20 -1.563 4.317 12.335 1.00 12.32 H new ATOM 0 HD1 PHE A 20 -0.242 4.195 15.824 1.00 42.43 H new ATOM 0 HD2 PHE A 20 -1.262 1.994 12.320 1.00 44.42 H new ATOM 0 HE1 PHE A 20 0.117 2.093 17.042 1.00 2.14 H new ATOM 0 HE2 PHE A 20 -0.896 -0.111 13.534 1.00 22.32 H new ATOM 0 HZ PHE A 20 -0.206 -0.066 15.899 1.00 71.24 H new ATOM 351 N VAL A 21 0.867 4.522 10.652 1.00 23.31 N ATOM 352 CA VAL A 21 1.596 3.735 9.663 1.00 54.31 C ATOM 353 C VAL A 21 3.031 4.245 9.491 1.00 62.24 C ATOM 354 O VAL A 21 3.900 3.527 9.008 1.00 21.02 O ATOM 355 CB VAL A 21 0.868 3.745 8.295 1.00 34.12 C ATOM 356 CG1 VAL A 21 0.940 5.115 7.640 1.00 50.34 C ATOM 357 CG2 VAL A 21 1.425 2.676 7.364 1.00 73.12 C ATOM 0 H VAL A 21 0.142 5.122 10.260 1.00 23.31 H new ATOM 0 HA VAL A 21 1.635 2.710 10.033 1.00 54.31 H new ATOM 0 HB VAL A 21 -0.181 3.516 8.484 1.00 34.12 H new ATOM 0 HG11 VAL A 21 0.420 5.088 6.682 1.00 50.34 H new ATOM 0 HG12 VAL A 21 0.469 5.854 8.288 1.00 50.34 H new ATOM 0 HG13 VAL A 21 1.983 5.387 7.479 1.00 50.34 H new ATOM 0 HG21 VAL A 21 0.893 2.709 6.413 1.00 73.12 H new ATOM 0 HG22 VAL A 21 2.486 2.859 7.193 1.00 73.12 H new ATOM 0 HG23 VAL A 21 1.295 1.694 7.819 1.00 73.12 H new ATOM 367 N PHE A 22 3.275 5.475 9.923 1.00 31.44 N ATOM 368 CA PHE A 22 4.575 6.109 9.733 1.00 0.23 C ATOM 369 C PHE A 22 5.616 5.542 10.701 1.00 41.13 C ATOM 370 O PHE A 22 6.818 5.604 10.435 1.00 21.42 O ATOM 371 CB PHE A 22 4.450 7.625 9.908 1.00 54.11 C ATOM 372 CG PHE A 22 5.698 8.383 9.553 1.00 65.22 C ATOM 373 CD1 PHE A 22 6.094 8.507 8.231 1.00 50.40 C ATOM 374 CD2 PHE A 22 6.473 8.973 10.538 1.00 4.45 C ATOM 375 CE1 PHE A 22 7.238 9.206 7.898 1.00 21.43 C ATOM 376 CE2 PHE A 22 7.618 9.672 10.210 1.00 22.33 C ATOM 377 CZ PHE A 22 8.001 9.789 8.889 1.00 43.02 C ATOM 0 H PHE A 22 2.590 6.055 10.408 1.00 31.44 H new ATOM 0 HA PHE A 22 4.913 5.895 8.719 1.00 0.23 H new ATOM 0 HB2 PHE A 22 3.629 7.986 9.289 1.00 54.11 H new ATOM 0 HB3 PHE A 22 4.187 7.841 10.944 1.00 54.11 H new ATOM 0 HD1 PHE A 22 5.501 8.052 7.452 1.00 50.40 H new ATOM 0 HD2 PHE A 22 6.179 8.885 11.573 1.00 4.45 H new ATOM 0 HE1 PHE A 22 7.535 9.296 6.864 1.00 21.43 H new ATOM 0 HE2 PHE A 22 8.214 10.127 10.987 1.00 22.33 H new ATOM 0 HZ PHE A 22 8.896 10.336 8.632 1.00 43.02 H new ATOM 387 N GLN A 23 5.152 4.986 11.819 1.00 14.45 N ATOM 388 CA GLN A 23 6.051 4.422 12.824 1.00 23.33 C ATOM 389 C GLN A 23 6.886 3.289 12.234 1.00 62.10 C ATOM 390 O GLN A 23 8.099 3.416 12.066 1.00 15.35 O ATOM 391 CB GLN A 23 5.261 3.902 14.027 1.00 32.51 C ATOM 392 CG GLN A 23 4.442 4.967 14.731 1.00 61.14 C ATOM 393 CD GLN A 23 3.742 4.438 15.968 1.00 54.30 C ATOM 394 OE1 GLN A 23 3.390 3.259 16.043 1.00 5.43 O ATOM 395 NE2 GLN A 23 3.542 5.303 16.948 1.00 64.22 N ATOM 0 H GLN A 23 4.161 4.914 12.051 1.00 14.45 H new ATOM 0 HA GLN A 23 6.719 5.218 13.153 1.00 23.33 H new ATOM 0 HB2 GLN A 23 4.595 3.106 13.695 1.00 32.51 H new ATOM 0 HB3 GLN A 23 5.955 3.460 14.742 1.00 32.51 H new ATOM 0 HG2 GLN A 23 5.093 5.795 15.012 1.00 61.14 H new ATOM 0 HG3 GLN A 23 3.699 5.366 14.040 1.00 61.14 H new ATOM 0 HE21 GLN A 23 3.849 6.270 16.845 1.00 64.22 H new ATOM 0 HE22 GLN A 23 3.081 5.003 17.807 1.00 64.22 H new ATOM 404 N GLN A 24 6.225 2.189 11.914 1.00 15.01 N ATOM 405 CA GLN A 24 6.891 1.031 11.340 1.00 2.12 C ATOM 406 C GLN A 24 5.911 0.266 10.457 1.00 40.01 C ATOM 407 O GLN A 24 5.205 -0.626 10.922 1.00 44.33 O ATOM 408 CB GLN A 24 7.444 0.132 12.452 1.00 55.31 C ATOM 409 CG GLN A 24 8.169 -1.111 11.953 1.00 1.13 C ATOM 410 CD GLN A 24 8.820 -1.892 13.080 1.00 54.12 C ATOM 411 OE1 GLN A 24 9.247 -1.320 14.085 1.00 31.12 O ATOM 412 NE2 GLN A 24 8.892 -3.205 12.935 1.00 4.25 N ATOM 0 H GLN A 24 5.220 2.073 12.043 1.00 15.01 H new ATOM 0 HA GLN A 24 7.730 1.361 10.727 1.00 2.12 H new ATOM 0 HB2 GLN A 24 8.129 0.715 13.067 1.00 55.31 H new ATOM 0 HB3 GLN A 24 6.621 -0.176 13.097 1.00 55.31 H new ATOM 0 HG2 GLN A 24 7.462 -1.755 11.429 1.00 1.13 H new ATOM 0 HG3 GLN A 24 8.930 -0.819 11.230 1.00 1.13 H new ATOM 0 HE21 GLN A 24 8.528 -3.645 12.090 1.00 4.25 H new ATOM 0 HE22 GLN A 24 9.311 -3.777 13.668 1.00 4.25 H new ATOM 421 N PRO A 25 5.827 0.646 9.178 1.00 40.24 N ATOM 422 CA PRO A 25 4.886 0.049 8.236 1.00 10.21 C ATOM 423 C PRO A 25 5.394 -1.245 7.615 1.00 4.34 C ATOM 424 O PRO A 25 6.599 -1.429 7.421 1.00 23.13 O ATOM 425 CB PRO A 25 4.755 1.128 7.168 1.00 32.45 C ATOM 426 CG PRO A 25 6.081 1.813 7.152 1.00 73.44 C ATOM 427 CD PRO A 25 6.641 1.706 8.548 1.00 32.24 C ATOM 0 HA PRO A 25 3.951 -0.231 8.721 1.00 10.21 H new ATOM 0 HB2 PRO A 25 4.522 0.695 6.195 1.00 32.45 H new ATOM 0 HB3 PRO A 25 3.952 1.826 7.407 1.00 32.45 H new ATOM 0 HG2 PRO A 25 6.750 1.345 6.430 1.00 73.44 H new ATOM 0 HG3 PRO A 25 5.974 2.857 6.857 1.00 73.44 H new ATOM 0 HD2 PRO A 25 7.699 1.443 8.535 1.00 32.24 H new ATOM 0 HD3 PRO A 25 6.554 2.650 9.087 1.00 32.24 H new ATOM 435 N GLN A 26 4.468 -2.141 7.306 1.00 64.45 N ATOM 436 CA GLN A 26 4.803 -3.355 6.587 1.00 5.11 C ATOM 437 C GLN A 26 5.057 -3.008 5.128 1.00 42.13 C ATOM 438 O GLN A 26 4.132 -2.628 4.409 1.00 15.25 O ATOM 439 CB GLN A 26 3.671 -4.381 6.693 1.00 33.44 C ATOM 440 CG GLN A 26 3.250 -4.689 8.123 1.00 51.11 C ATOM 441 CD GLN A 26 4.399 -5.163 8.988 1.00 1.02 C ATOM 442 OE1 GLN A 26 5.079 -4.362 9.625 1.00 12.32 O ATOM 443 NE2 GLN A 26 4.619 -6.466 9.018 1.00 63.24 N ATOM 0 H GLN A 26 3.480 -2.048 7.543 1.00 64.45 H new ATOM 0 HA GLN A 26 5.698 -3.796 7.026 1.00 5.11 H new ATOM 0 HB2 GLN A 26 2.806 -4.012 6.142 1.00 33.44 H new ATOM 0 HB3 GLN A 26 3.986 -5.306 6.210 1.00 33.44 H new ATOM 0 HG2 GLN A 26 2.812 -3.795 8.568 1.00 51.11 H new ATOM 0 HG3 GLN A 26 2.472 -5.453 8.111 1.00 51.11 H new ATOM 0 HE21 GLN A 26 4.030 -7.095 8.473 1.00 63.24 H new ATOM 0 HE22 GLN A 26 5.378 -6.842 9.586 1.00 63.24 H new ATOM 452 N ARG A 27 6.312 -3.104 4.713 1.00 31.22 N ATOM 453 CA ARG A 27 6.702 -2.723 3.363 1.00 52.31 C ATOM 454 C ARG A 27 6.235 -3.771 2.357 1.00 40.42 C ATOM 455 O ARG A 27 6.845 -4.835 2.226 1.00 61.02 O ATOM 456 CB ARG A 27 8.222 -2.566 3.272 1.00 40.42 C ATOM 457 CG ARG A 27 8.682 -1.691 2.113 1.00 43.15 C ATOM 458 CD ARG A 27 10.141 -1.940 1.763 1.00 73.02 C ATOM 459 NE ARG A 27 11.009 -1.954 2.941 1.00 73.40 N ATOM 460 CZ ARG A 27 11.760 -2.999 3.288 1.00 63.34 C ATOM 461 NH1 ARG A 27 11.780 -4.084 2.519 1.00 70.30 N ATOM 462 NH2 ARG A 27 12.503 -2.949 4.386 1.00 21.10 N ATOM 0 H ARG A 27 7.079 -3.443 5.293 1.00 31.22 H new ATOM 0 HA ARG A 27 6.230 -1.769 3.128 1.00 52.31 H new ATOM 0 HB2 ARG A 27 8.590 -2.140 4.205 1.00 40.42 H new ATOM 0 HB3 ARG A 27 8.674 -3.553 3.172 1.00 40.42 H new ATOM 0 HG2 ARG A 27 8.060 -1.887 1.240 1.00 43.15 H new ATOM 0 HG3 ARG A 27 8.544 -0.641 2.373 1.00 43.15 H new ATOM 0 HD2 ARG A 27 10.228 -2.893 1.241 1.00 73.02 H new ATOM 0 HD3 ARG A 27 10.482 -1.167 1.074 1.00 73.02 H new ATOM 0 HE ARG A 27 11.041 -1.120 3.527 1.00 73.40 H new ATOM 0 HH11 ARG A 27 11.222 -4.115 1.666 1.00 70.30 H new ATOM 0 HH12 ARG A 27 12.354 -4.885 2.782 1.00 70.30 H new ATOM 0 HH21 ARG A 27 12.500 -2.110 4.966 1.00 21.10 H new ATOM 0 HH22 ARG A 27 13.077 -3.750 4.650 1.00 21.10 H new ATOM 476 N ALA A 28 5.142 -3.481 1.673 1.00 52.11 N ATOM 477 CA ALA A 28 4.624 -4.370 0.649 1.00 53.44 C ATOM 478 C ALA A 28 4.857 -3.779 -0.731 1.00 61.32 C ATOM 479 O ALA A 28 4.852 -2.562 -0.904 1.00 20.13 O ATOM 480 CB ALA A 28 3.140 -4.630 0.870 1.00 74.31 C ATOM 0 H ALA A 28 4.594 -2.632 1.810 1.00 52.11 H new ATOM 0 HA ALA A 28 5.155 -5.320 0.715 1.00 53.44 H new ATOM 0 HB1 ALA A 28 2.768 -5.298 0.093 1.00 74.31 H new ATOM 0 HB2 ALA A 28 2.993 -5.091 1.847 1.00 74.31 H new ATOM 0 HB3 ALA A 28 2.595 -3.687 0.828 1.00 74.31 H new ATOM 486 N GLY A 29 5.081 -4.642 -1.705 1.00 1.24 N ATOM 487 CA GLY A 29 5.269 -4.184 -3.061 1.00 4.42 C ATOM 488 C GLY A 29 6.728 -4.062 -3.436 1.00 4.21 C ATOM 489 O GLY A 29 7.515 -4.978 -3.195 1.00 0.04 O ATOM 0 H GLY A 29 5.136 -5.653 -1.581 1.00 1.24 H new ATOM 0 HA2 GLY A 29 4.778 -4.876 -3.746 1.00 4.42 H new ATOM 0 HA3 GLY A 29 4.784 -3.216 -3.184 1.00 4.42 H new ATOM 493 N THR A 30 7.085 -2.924 -4.013 1.00 60.32 N ATOM 494 CA THR A 30 8.435 -2.689 -4.498 1.00 31.03 C ATOM 495 C THR A 30 8.919 -1.310 -4.053 1.00 55.43 C ATOM 496 O THR A 30 8.128 -0.513 -3.553 1.00 3.12 O ATOM 497 CB THR A 30 8.482 -2.772 -6.040 1.00 1.33 C ATOM 498 OG1 THR A 30 7.504 -1.893 -6.606 1.00 20.14 O ATOM 499 CG2 THR A 30 8.237 -4.194 -6.526 1.00 61.21 C ATOM 0 H THR A 30 6.448 -2.140 -4.157 1.00 60.32 H new ATOM 0 HA THR A 30 9.085 -3.458 -4.081 1.00 31.03 H new ATOM 0 HB THR A 30 9.478 -2.469 -6.363 1.00 1.33 H new ATOM 0 HG1 THR A 30 7.540 -1.949 -7.584 1.00 20.14 H new ATOM 0 HG21 THR A 30 8.277 -4.218 -7.615 1.00 61.21 H new ATOM 0 HG22 THR A 30 9.003 -4.854 -6.120 1.00 61.21 H new ATOM 0 HG23 THR A 30 7.255 -4.529 -6.191 1.00 61.21 H new ATOM 507 N PRO A 31 10.223 -1.006 -4.212 1.00 74.01 N ATOM 508 CA PRO A 31 10.756 0.335 -3.935 1.00 31.20 C ATOM 509 C PRO A 31 10.290 1.375 -4.958 1.00 25.45 C ATOM 510 O PRO A 31 10.658 2.545 -4.878 1.00 24.22 O ATOM 511 CB PRO A 31 12.274 0.143 -4.016 1.00 64.21 C ATOM 512 CG PRO A 31 12.461 -1.050 -4.886 1.00 61.23 C ATOM 513 CD PRO A 31 11.287 -1.947 -4.615 1.00 43.41 C ATOM 0 HA PRO A 31 10.413 0.715 -2.972 1.00 31.20 H new ATOM 0 HB2 PRO A 31 12.762 1.021 -4.439 1.00 64.21 H new ATOM 0 HB3 PRO A 31 12.706 -0.016 -3.028 1.00 64.21 H new ATOM 0 HG2 PRO A 31 12.499 -0.764 -5.937 1.00 61.23 H new ATOM 0 HG3 PRO A 31 13.399 -1.556 -4.659 1.00 61.23 H new ATOM 0 HD2 PRO A 31 11.005 -2.518 -5.500 1.00 43.41 H new ATOM 0 HD3 PRO A 31 11.506 -2.668 -3.827 1.00 43.41 H new ATOM 521 N GLN A 32 9.490 0.935 -5.924 1.00 33.14 N ATOM 522 CA GLN A 32 8.920 1.835 -6.919 1.00 33.41 C ATOM 523 C GLN A 32 7.477 2.159 -6.544 1.00 11.42 C ATOM 524 O GLN A 32 7.066 3.318 -6.514 1.00 34.54 O ATOM 525 CB GLN A 32 8.992 1.197 -8.312 1.00 2.34 C ATOM 526 CG GLN A 32 8.478 2.092 -9.429 1.00 42.42 C ATOM 527 CD GLN A 32 9.215 3.417 -9.502 1.00 14.45 C ATOM 528 OE1 GLN A 32 8.813 4.399 -8.887 1.00 40.30 O ATOM 529 NE2 GLN A 32 10.297 3.454 -10.260 1.00 42.03 N ATOM 0 H GLN A 32 9.221 -0.042 -6.039 1.00 33.14 H new ATOM 0 HA GLN A 32 9.493 2.762 -6.942 1.00 33.41 H new ATOM 0 HB2 GLN A 32 10.027 0.927 -8.524 1.00 2.34 H new ATOM 0 HB3 GLN A 32 8.416 0.272 -8.307 1.00 2.34 H new ATOM 0 HG2 GLN A 32 8.578 1.572 -10.382 1.00 42.42 H new ATOM 0 HG3 GLN A 32 7.415 2.280 -9.279 1.00 42.42 H new ATOM 0 HE21 GLN A 32 10.601 2.616 -10.757 1.00 42.03 H new ATOM 0 HE22 GLN A 32 10.828 4.320 -10.348 1.00 42.03 H new ATOM 538 N ILE A 33 6.712 1.119 -6.259 1.00 53.34 N ATOM 539 CA ILE A 33 5.372 1.283 -5.730 1.00 45.41 C ATOM 540 C ILE A 33 5.284 0.593 -4.369 1.00 51.15 C ATOM 541 O ILE A 33 5.174 -0.634 -4.270 1.00 71.53 O ATOM 542 CB ILE A 33 4.285 0.758 -6.707 1.00 31.15 C ATOM 543 CG1 ILE A 33 2.895 0.850 -6.066 1.00 12.21 C ATOM 544 CG2 ILE A 33 4.586 -0.665 -7.161 1.00 73.22 C ATOM 545 CD1 ILE A 33 1.766 0.438 -6.988 1.00 61.32 C ATOM 0 H ILE A 33 6.999 0.149 -6.386 1.00 53.34 H new ATOM 0 HA ILE A 33 5.175 2.348 -5.608 1.00 45.41 H new ATOM 0 HB ILE A 33 4.296 1.392 -7.594 1.00 31.15 H new ATOM 0 HG12 ILE A 33 2.873 0.220 -5.177 1.00 12.21 H new ATOM 0 HG13 ILE A 33 2.725 1.875 -5.735 1.00 12.21 H new ATOM 0 HG21 ILE A 33 3.806 -1.002 -7.844 1.00 73.22 H new ATOM 0 HG22 ILE A 33 5.549 -0.688 -7.671 1.00 73.22 H new ATOM 0 HG23 ILE A 33 4.619 -1.324 -6.294 1.00 73.22 H new ATOM 0 HD11 ILE A 33 0.815 0.530 -6.463 1.00 61.32 H new ATOM 0 HD12 ILE A 33 1.759 1.084 -7.866 1.00 61.32 H new ATOM 0 HD13 ILE A 33 1.910 -0.597 -7.299 1.00 61.32 H new ATOM 557 N THR A 34 5.396 1.390 -3.323 1.00 15.32 N ATOM 558 CA THR A 34 5.489 0.869 -1.974 1.00 31.05 C ATOM 559 C THR A 34 4.158 0.985 -1.238 1.00 74.12 C ATOM 560 O THR A 34 3.691 2.084 -0.946 1.00 71.15 O ATOM 561 CB THR A 34 6.578 1.615 -1.182 1.00 72.15 C ATOM 562 OG1 THR A 34 7.780 1.686 -1.962 1.00 12.43 O ATOM 563 CG2 THR A 34 6.872 0.913 0.134 1.00 42.41 C ATOM 0 H THR A 34 5.425 2.408 -3.384 1.00 15.32 H new ATOM 0 HA THR A 34 5.752 -0.186 -2.050 1.00 31.05 H new ATOM 0 HB THR A 34 6.215 2.620 -0.966 1.00 72.15 H new ATOM 0 HG1 THR A 34 7.783 0.964 -2.624 1.00 12.43 H new ATOM 0 HG21 THR A 34 7.645 1.460 0.674 1.00 42.41 H new ATOM 0 HG22 THR A 34 5.965 0.876 0.737 1.00 42.41 H new ATOM 0 HG23 THR A 34 7.218 -0.102 -0.064 1.00 42.41 H new ATOM 571 N ILE A 35 3.553 -0.154 -0.951 1.00 41.43 N ATOM 572 CA ILE A 35 2.319 -0.187 -0.189 1.00 31.31 C ATOM 573 C ILE A 35 2.647 -0.357 1.289 1.00 14.22 C ATOM 574 O ILE A 35 3.209 -1.375 1.696 1.00 4.33 O ATOM 575 CB ILE A 35 1.369 -1.330 -0.635 1.00 63.45 C ATOM 576 CG1 ILE A 35 0.988 -1.197 -2.117 1.00 43.42 C ATOM 577 CG2 ILE A 35 0.114 -1.339 0.228 1.00 62.03 C ATOM 578 CD1 ILE A 35 2.023 -1.746 -3.078 1.00 21.52 C ATOM 0 H ILE A 35 3.898 -1.071 -1.236 1.00 41.43 H new ATOM 0 HA ILE A 35 1.801 0.755 -0.369 1.00 31.31 H new ATOM 0 HB ILE A 35 1.900 -2.273 -0.507 1.00 63.45 H new ATOM 0 HG12 ILE A 35 0.043 -1.714 -2.285 1.00 43.42 H new ATOM 0 HG13 ILE A 35 0.821 -0.144 -2.344 1.00 43.42 H new ATOM 0 HG21 ILE A 35 -0.544 -2.146 -0.095 1.00 62.03 H new ATOM 0 HG22 ILE A 35 0.391 -1.492 1.271 1.00 62.03 H new ATOM 0 HG23 ILE A 35 -0.404 -0.385 0.127 1.00 62.03 H new ATOM 0 HD11 ILE A 35 1.675 -1.612 -4.102 1.00 21.52 H new ATOM 0 HD12 ILE A 35 2.964 -1.214 -2.942 1.00 21.52 H new ATOM 0 HD13 ILE A 35 2.175 -2.807 -2.882 1.00 21.52 H new ATOM 590 N LEU A 36 2.326 0.649 2.084 1.00 21.40 N ATOM 591 CA LEU A 36 2.600 0.599 3.508 1.00 23.22 C ATOM 592 C LEU A 36 1.363 0.140 4.266 1.00 51.41 C ATOM 593 O LEU A 36 0.308 0.769 4.193 1.00 21.32 O ATOM 594 CB LEU A 36 3.061 1.968 4.013 1.00 60.34 C ATOM 595 CG LEU A 36 4.325 2.513 3.345 1.00 45.15 C ATOM 596 CD1 LEU A 36 4.692 3.868 3.931 1.00 73.44 C ATOM 597 CD2 LEU A 36 5.478 1.529 3.499 1.00 0.41 C ATOM 0 H LEU A 36 1.876 1.508 1.768 1.00 21.40 H new ATOM 0 HA LEU A 36 3.401 -0.119 3.683 1.00 23.22 H new ATOM 0 HB2 LEU A 36 2.253 2.684 3.865 1.00 60.34 H new ATOM 0 HB3 LEU A 36 3.236 1.902 5.087 1.00 60.34 H new ATOM 0 HG LEU A 36 4.127 2.641 2.281 1.00 45.15 H new ATOM 0 HD11 LEU A 36 5.593 4.242 3.445 1.00 73.44 H new ATOM 0 HD12 LEU A 36 3.874 4.569 3.767 1.00 73.44 H new ATOM 0 HD13 LEU A 36 4.873 3.765 5.001 1.00 73.44 H new ATOM 0 HD21 LEU A 36 6.368 1.934 3.018 1.00 0.41 H new ATOM 0 HD22 LEU A 36 5.680 1.368 4.558 1.00 0.41 H new ATOM 0 HD23 LEU A 36 5.212 0.581 3.032 1.00 0.41 H new ATOM 609 N GLY A 37 1.487 -0.973 4.970 1.00 24.33 N ATOM 610 CA GLY A 37 0.357 -1.504 5.699 1.00 51.34 C ATOM 611 C GLY A 37 0.570 -1.509 7.195 1.00 73.34 C ATOM 612 O GLY A 37 1.649 -1.858 7.677 1.00 51.11 O ATOM 0 H GLY A 37 2.347 -1.516 5.050 1.00 24.33 H new ATOM 0 HA2 GLY A 37 -0.529 -0.914 5.466 1.00 51.34 H new ATOM 0 HA3 GLY A 37 0.160 -2.522 5.362 1.00 51.34 H new ATOM 616 N ARG A 38 -0.458 -1.106 7.926 1.00 72.42 N ATOM 617 CA ARG A 38 -0.451 -1.172 9.380 1.00 50.20 C ATOM 618 C ARG A 38 -1.834 -1.519 9.896 1.00 30.53 C ATOM 619 O ARG A 38 -2.768 -0.729 9.765 1.00 74.33 O ATOM 620 CB ARG A 38 0.014 0.145 10.003 1.00 63.43 C ATOM 621 CG ARG A 38 1.521 0.308 10.043 1.00 43.40 C ATOM 622 CD ARG A 38 2.185 -0.815 10.822 1.00 14.12 C ATOM 623 NE ARG A 38 1.720 -0.883 12.209 1.00 52.23 N ATOM 624 CZ ARG A 38 2.478 -1.297 13.228 1.00 0.10 C ATOM 625 NH1 ARG A 38 3.751 -1.615 13.025 1.00 33.22 N ATOM 626 NH2 ARG A 38 1.967 -1.368 14.453 1.00 21.12 N ATOM 0 H ARG A 38 -1.318 -0.725 7.530 1.00 72.42 H new ATOM 0 HA ARG A 38 0.254 -1.952 9.669 1.00 50.20 H new ATOM 0 HB2 ARG A 38 -0.416 0.974 9.440 1.00 63.43 H new ATOM 0 HB3 ARG A 38 -0.376 0.213 11.019 1.00 63.43 H new ATOM 0 HG2 ARG A 38 1.913 0.327 9.026 1.00 43.40 H new ATOM 0 HG3 ARG A 38 1.772 1.266 10.499 1.00 43.40 H new ATOM 0 HD2 ARG A 38 1.984 -1.765 10.327 1.00 14.12 H new ATOM 0 HD3 ARG A 38 3.266 -0.672 10.810 1.00 14.12 H new ATOM 0 HE ARG A 38 0.761 -0.598 12.409 1.00 52.23 H new ATOM 0 HH11 ARG A 38 4.152 -1.543 12.090 1.00 33.22 H new ATOM 0 HH12 ARG A 38 4.328 -1.931 13.804 1.00 33.22 H new ATOM 0 HH21 ARG A 38 0.995 -1.106 14.616 1.00 21.12 H new ATOM 0 HH22 ARG A 38 2.547 -1.684 15.230 1.00 21.12 H new ATOM 640 N LEU A 39 -1.959 -2.702 10.476 1.00 21.32 N ATOM 641 CA LEU A 39 -3.225 -3.151 11.024 1.00 22.21 C ATOM 642 C LEU A 39 -3.611 -2.306 12.230 1.00 4.24 C ATOM 643 O LEU A 39 -2.832 -2.151 13.170 1.00 24.20 O ATOM 644 CB LEU A 39 -3.140 -4.629 11.415 1.00 45.13 C ATOM 645 CG LEU A 39 -4.438 -5.241 11.949 1.00 22.42 C ATOM 646 CD1 LEU A 39 -5.531 -5.196 10.892 1.00 64.54 C ATOM 647 CD2 LEU A 39 -4.197 -6.671 12.406 1.00 21.40 C ATOM 0 H LEU A 39 -1.195 -3.370 10.579 1.00 21.32 H new ATOM 0 HA LEU A 39 -3.994 -3.036 10.260 1.00 22.21 H new ATOM 0 HB2 LEU A 39 -2.820 -5.200 10.544 1.00 45.13 H new ATOM 0 HB3 LEU A 39 -2.365 -4.743 12.173 1.00 45.13 H new ATOM 0 HG LEU A 39 -4.769 -4.652 12.805 1.00 22.42 H new ATOM 0 HD11 LEU A 39 -6.444 -5.636 11.294 1.00 64.54 H new ATOM 0 HD12 LEU A 39 -5.721 -4.161 10.609 1.00 64.54 H new ATOM 0 HD13 LEU A 39 -5.212 -5.759 10.015 1.00 64.54 H new ATOM 0 HD21 LEU A 39 -5.128 -7.094 12.783 1.00 21.40 H new ATOM 0 HD22 LEU A 39 -3.842 -7.267 11.565 1.00 21.40 H new ATOM 0 HD23 LEU A 39 -3.448 -6.679 13.198 1.00 21.40 H new ATOM 659 N ASN A 40 -4.806 -1.748 12.187 1.00 1.43 N ATOM 660 CA ASN A 40 -5.308 -0.933 13.277 1.00 72.54 C ATOM 661 C ASN A 40 -6.661 -1.465 13.724 1.00 63.41 C ATOM 662 O ASN A 40 -7.440 -1.958 12.905 1.00 64.31 O ATOM 663 CB ASN A 40 -5.410 0.534 12.842 1.00 31.33 C ATOM 664 CG ASN A 40 -5.826 1.461 13.972 1.00 20.23 C ATOM 665 OD1 ASN A 40 -5.593 1.175 15.145 1.00 41.43 O ATOM 666 ND2 ASN A 40 -6.424 2.591 13.625 1.00 2.12 N ATOM 0 H ASN A 40 -5.451 -1.845 11.403 1.00 1.43 H new ATOM 0 HA ASN A 40 -4.616 -0.984 14.118 1.00 72.54 H new ATOM 0 HB2 ASN A 40 -4.446 0.859 12.449 1.00 31.33 H new ATOM 0 HB3 ASN A 40 -6.130 0.617 12.028 1.00 31.33 H new ATOM 0 HD21 ASN A 40 -6.708 3.259 14.342 1.00 2.12 H new ATOM 0 HD22 ASN A 40 -6.600 2.793 12.641 1.00 2.12 H new ATOM 673 N SER A 41 -6.942 -1.348 15.015 1.00 24.14 N ATOM 674 CA SER A 41 -8.131 -1.941 15.620 1.00 11.41 C ATOM 675 C SER A 41 -9.408 -1.162 15.295 1.00 64.23 C ATOM 676 O SER A 41 -10.340 -1.117 16.098 1.00 61.00 O ATOM 677 CB SER A 41 -7.930 -2.031 17.133 1.00 63.24 C ATOM 678 OG SER A 41 -7.073 -0.995 17.593 1.00 73.43 O ATOM 0 H SER A 41 -6.353 -0.839 15.674 1.00 24.14 H new ATOM 0 HA SER A 41 -8.261 -2.937 15.198 1.00 11.41 H new ATOM 0 HB2 SER A 41 -8.894 -1.961 17.637 1.00 63.24 H new ATOM 0 HB3 SER A 41 -7.505 -3.001 17.390 1.00 63.24 H new ATOM 0 HG SER A 41 -6.960 -1.071 18.563 1.00 73.43 H new ATOM 684 N LEU A 42 -9.452 -0.562 14.118 1.00 4.13 N ATOM 685 CA LEU A 42 -10.654 0.107 13.648 1.00 43.35 C ATOM 686 C LEU A 42 -11.312 -0.714 12.546 1.00 0.51 C ATOM 687 O LEU A 42 -12.503 -0.557 12.272 1.00 64.02 O ATOM 688 CB LEU A 42 -10.336 1.513 13.126 1.00 14.10 C ATOM 689 CG LEU A 42 -9.798 2.498 14.167 1.00 61.21 C ATOM 690 CD1 LEU A 42 -9.547 3.853 13.527 1.00 3.32 C ATOM 691 CD2 LEU A 42 -10.771 2.630 15.331 1.00 61.01 C ATOM 0 H LEU A 42 -8.667 -0.524 13.468 1.00 4.13 H new ATOM 0 HA LEU A 42 -11.339 0.200 14.490 1.00 43.35 H new ATOM 0 HB2 LEU A 42 -9.605 1.426 12.322 1.00 14.10 H new ATOM 0 HB3 LEU A 42 -11.242 1.933 12.689 1.00 14.10 H new ATOM 0 HG LEU A 42 -8.853 2.114 14.553 1.00 61.21 H new ATOM 0 HD11 LEU A 42 -9.165 4.545 14.278 1.00 3.32 H new ATOM 0 HD12 LEU A 42 -8.816 3.747 12.725 1.00 3.32 H new ATOM 0 HD13 LEU A 42 -10.480 4.241 13.118 1.00 3.32 H new ATOM 0 HD21 LEU A 42 -10.372 3.334 16.061 1.00 61.01 H new ATOM 0 HD22 LEU A 42 -11.731 2.993 14.964 1.00 61.01 H new ATOM 0 HD23 LEU A 42 -10.908 1.657 15.803 1.00 61.01 H new ATOM 703 N GLY A 43 -10.529 -1.599 11.929 1.00 2.21 N ATOM 704 CA GLY A 43 -11.020 -2.364 10.798 1.00 2.03 C ATOM 705 C GLY A 43 -11.476 -1.458 9.679 1.00 72.41 C ATOM 706 O GLY A 43 -12.621 -1.525 9.237 1.00 21.40 O ATOM 0 H GLY A 43 -9.564 -1.798 12.194 1.00 2.21 H new ATOM 0 HA2 GLY A 43 -10.234 -3.026 10.435 1.00 2.03 H new ATOM 0 HA3 GLY A 43 -11.848 -2.997 11.116 1.00 2.03 H new ATOM 710 N HIS A 44 -10.574 -0.602 9.228 1.00 52.42 N ATOM 711 CA HIS A 44 -10.919 0.442 8.280 1.00 21.44 C ATOM 712 C HIS A 44 -10.372 0.109 6.896 1.00 45.00 C ATOM 713 O HIS A 44 -9.178 0.228 6.652 1.00 42.31 O ATOM 714 CB HIS A 44 -10.358 1.778 8.770 1.00 23.10 C ATOM 715 CG HIS A 44 -10.971 2.977 8.119 1.00 13.54 C ATOM 716 ND1 HIS A 44 -10.531 3.771 7.116 1.00 24.14 N flip ATOM 717 CD2 HIS A 44 -12.183 3.497 8.510 1.00 32.24 C flip ATOM 718 CE1 HIS A 44 -11.478 4.749 6.922 1.00 34.21 C flip ATOM 719 NE2 HIS A 44 -12.464 4.557 7.778 1.00 71.43 N flip ATOM 0 H HIS A 44 -9.593 -0.611 9.506 1.00 52.42 H new ATOM 0 HA HIS A 44 -12.004 0.514 8.206 1.00 21.44 H new ATOM 0 HB2 HIS A 44 -10.506 1.848 9.848 1.00 23.10 H new ATOM 0 HB3 HIS A 44 -9.282 1.794 8.595 1.00 23.10 H new ATOM 0 HD1 HIS A 44 -9.658 3.664 6.599 1.00 24.14 H new ATOM 0 HD2 HIS A 44 -12.808 3.098 9.295 1.00 32.24 H new ATOM 0 HE1 HIS A 44 -11.424 5.542 6.191 1.00 34.21 H new ATOM 728 N PRO A 45 -11.241 -0.335 5.977 1.00 41.20 N ATOM 729 CA PRO A 45 -10.833 -0.709 4.634 1.00 2.12 C ATOM 730 C PRO A 45 -10.853 0.467 3.659 1.00 35.01 C ATOM 731 O PRO A 45 -11.898 0.817 3.104 1.00 71.51 O ATOM 732 CB PRO A 45 -11.870 -1.762 4.248 1.00 64.25 C ATOM 733 CG PRO A 45 -13.101 -1.423 5.034 1.00 24.53 C ATOM 734 CD PRO A 45 -12.685 -0.522 6.176 1.00 72.53 C ATOM 0 HA PRO A 45 -9.804 -1.066 4.598 1.00 2.12 H new ATOM 0 HB2 PRO A 45 -12.071 -1.740 3.177 1.00 64.25 H new ATOM 0 HB3 PRO A 45 -11.517 -2.765 4.486 1.00 64.25 H new ATOM 0 HG2 PRO A 45 -13.834 -0.923 4.400 1.00 24.53 H new ATOM 0 HG3 PRO A 45 -13.573 -2.329 5.414 1.00 24.53 H new ATOM 0 HD2 PRO A 45 -13.218 0.429 6.148 1.00 72.53 H new ATOM 0 HD3 PRO A 45 -12.898 -0.979 7.142 1.00 72.53 H new ATOM 742 N ARG A 46 -9.698 1.086 3.474 1.00 34.24 N ATOM 743 CA ARG A 46 -9.554 2.194 2.540 1.00 31.32 C ATOM 744 C ARG A 46 -8.213 2.116 1.825 1.00 2.12 C ATOM 745 O ARG A 46 -7.333 1.349 2.215 1.00 61.13 O ATOM 746 CB ARG A 46 -9.667 3.540 3.263 1.00 31.24 C ATOM 747 CG ARG A 46 -11.091 3.985 3.560 1.00 53.54 C ATOM 748 CD ARG A 46 -11.867 4.264 2.282 1.00 74.52 C ATOM 749 NE ARG A 46 -13.045 5.096 2.530 1.00 52.21 N ATOM 750 CZ ARG A 46 -13.724 5.731 1.573 1.00 13.10 C ATOM 751 NH1 ARG A 46 -13.390 5.584 0.298 1.00 41.13 N ATOM 752 NH2 ARG A 46 -14.748 6.513 1.896 1.00 40.45 N ATOM 0 H ARG A 46 -8.838 0.838 3.963 1.00 34.24 H new ATOM 0 HA ARG A 46 -10.359 2.119 1.809 1.00 31.32 H new ATOM 0 HB2 ARG A 46 -9.116 3.480 4.202 1.00 31.24 H new ATOM 0 HB3 ARG A 46 -9.181 4.304 2.657 1.00 31.24 H new ATOM 0 HG2 ARG A 46 -11.602 3.213 4.136 1.00 53.54 H new ATOM 0 HG3 ARG A 46 -11.071 4.883 4.178 1.00 53.54 H new ATOM 0 HD2 ARG A 46 -11.216 4.761 1.563 1.00 74.52 H new ATOM 0 HD3 ARG A 46 -12.177 3.321 1.832 1.00 74.52 H new ATOM 0 HE ARG A 46 -13.366 5.197 3.493 1.00 52.21 H new ATOM 0 HH11 ARG A 46 -12.608 4.981 0.042 1.00 41.13 H new ATOM 0 HH12 ARG A 46 -13.915 6.074 -0.426 1.00 41.13 H new ATOM 0 HH21 ARG A 46 -15.014 6.627 2.874 1.00 40.45 H new ATOM 0 HH22 ARG A 46 -15.268 6.999 1.166 1.00 40.45 H new ATOM 766 N ILE A 47 -8.065 2.910 0.776 1.00 5.34 N ATOM 767 CA ILE A 47 -6.815 2.974 0.040 1.00 74.12 C ATOM 768 C ILE A 47 -6.293 4.412 0.042 1.00 25.42 C ATOM 769 O ILE A 47 -7.060 5.367 -0.108 1.00 63.44 O ATOM 770 CB ILE A 47 -6.980 2.452 -1.414 1.00 43.14 C ATOM 771 CG1 ILE A 47 -5.609 2.228 -2.068 1.00 72.32 C ATOM 772 CG2 ILE A 47 -7.828 3.408 -2.247 1.00 75.43 C ATOM 773 CD1 ILE A 47 -5.678 1.862 -3.538 1.00 30.42 C ATOM 0 H ILE A 47 -8.798 3.520 0.415 1.00 5.34 H new ATOM 0 HA ILE A 47 -6.091 2.326 0.535 1.00 74.12 H new ATOM 0 HB ILE A 47 -7.499 1.495 -1.372 1.00 43.14 H new ATOM 0 HG12 ILE A 47 -5.013 3.134 -1.958 1.00 72.32 H new ATOM 0 HG13 ILE A 47 -5.087 1.436 -1.531 1.00 72.32 H new ATOM 0 HG21 ILE A 47 -7.927 3.018 -3.260 1.00 75.43 H new ATOM 0 HG22 ILE A 47 -8.816 3.504 -1.797 1.00 75.43 H new ATOM 0 HG23 ILE A 47 -7.348 4.386 -2.280 1.00 75.43 H new ATOM 0 HD11 ILE A 47 -4.669 1.721 -3.926 1.00 30.42 H new ATOM 0 HD12 ILE A 47 -6.245 0.939 -3.657 1.00 30.42 H new ATOM 0 HD13 ILE A 47 -6.170 2.663 -4.090 1.00 30.42 H new ATOM 785 N GLY A 48 -4.998 4.568 0.248 1.00 50.12 N ATOM 786 CA GLY A 48 -4.417 5.892 0.308 1.00 64.32 C ATOM 787 C GLY A 48 -3.302 6.073 -0.698 1.00 11.44 C ATOM 788 O GLY A 48 -2.125 6.010 -0.346 1.00 14.21 O ATOM 0 H GLY A 48 -4.337 3.802 0.375 1.00 50.12 H new ATOM 0 HA2 GLY A 48 -5.193 6.636 0.126 1.00 64.32 H new ATOM 0 HA3 GLY A 48 -4.032 6.073 1.311 1.00 64.32 H new ATOM 792 N LEU A 49 -3.668 6.282 -1.955 1.00 34.10 N ATOM 793 CA LEU A 49 -2.687 6.484 -3.012 1.00 1.32 C ATOM 794 C LEU A 49 -2.011 7.842 -2.856 1.00 44.02 C ATOM 795 O LEU A 49 -2.623 8.886 -3.085 1.00 41.15 O ATOM 796 CB LEU A 49 -3.349 6.372 -4.389 1.00 54.41 C ATOM 797 CG LEU A 49 -2.409 6.577 -5.577 1.00 41.54 C ATOM 798 CD1 LEU A 49 -1.331 5.502 -5.599 1.00 44.43 C ATOM 799 CD2 LEU A 49 -3.198 6.581 -6.877 1.00 44.13 C ATOM 0 H LEU A 49 -4.638 6.316 -2.268 1.00 34.10 H new ATOM 0 HA LEU A 49 -1.928 5.706 -2.931 1.00 1.32 H new ATOM 0 HB2 LEU A 49 -3.809 5.388 -4.475 1.00 54.41 H new ATOM 0 HB3 LEU A 49 -4.152 7.106 -4.450 1.00 54.41 H new ATOM 0 HG LEU A 49 -1.917 7.544 -5.471 1.00 41.54 H new ATOM 0 HD11 LEU A 49 -0.672 5.665 -6.452 1.00 44.43 H new ATOM 0 HD12 LEU A 49 -0.751 5.550 -4.678 1.00 44.43 H new ATOM 0 HD13 LEU A 49 -1.798 4.521 -5.684 1.00 44.43 H new ATOM 0 HD21 LEU A 49 -2.517 6.728 -7.715 1.00 44.13 H new ATOM 0 HD22 LEU A 49 -3.715 5.628 -6.992 1.00 44.13 H new ATOM 0 HD23 LEU A 49 -3.928 7.390 -6.857 1.00 44.13 H new ATOM 811 N THR A 50 -0.755 7.816 -2.449 1.00 25.12 N ATOM 812 CA THR A 50 0.008 9.028 -2.233 1.00 32.03 C ATOM 813 C THR A 50 0.901 9.319 -3.437 1.00 62.41 C ATOM 814 O THR A 50 1.855 8.585 -3.708 1.00 53.12 O ATOM 815 CB THR A 50 0.864 8.909 -0.958 1.00 73.21 C ATOM 816 OG1 THR A 50 0.023 8.555 0.148 1.00 0.21 O ATOM 817 CG2 THR A 50 1.593 10.214 -0.656 1.00 51.24 C ATOM 0 H THR A 50 -0.238 6.957 -2.260 1.00 25.12 H new ATOM 0 HA THR A 50 -0.692 9.854 -2.108 1.00 32.03 H new ATOM 0 HB THR A 50 1.614 8.134 -1.118 1.00 73.21 H new ATOM 0 HG1 THR A 50 0.566 8.477 0.960 1.00 0.21 H new ATOM 0 HG21 THR A 50 2.188 10.097 0.250 1.00 51.24 H new ATOM 0 HG22 THR A 50 2.247 10.467 -1.490 1.00 51.24 H new ATOM 0 HG23 THR A 50 0.865 11.012 -0.511 1.00 51.24 H new ATOM 825 N VAL A 51 0.572 10.377 -4.164 1.00 34.55 N ATOM 826 CA VAL A 51 1.322 10.755 -5.350 1.00 65.14 C ATOM 827 C VAL A 51 1.723 12.226 -5.291 1.00 42.44 C ATOM 828 O VAL A 51 0.927 13.085 -4.911 1.00 73.42 O ATOM 829 CB VAL A 51 0.513 10.490 -6.646 1.00 41.20 C ATOM 830 CG1 VAL A 51 0.274 9.000 -6.836 1.00 55.42 C ATOM 831 CG2 VAL A 51 -0.814 11.240 -6.630 1.00 20.42 C ATOM 0 H VAL A 51 -0.214 10.991 -3.951 1.00 34.55 H new ATOM 0 HA VAL A 51 2.220 10.137 -5.372 1.00 65.14 H new ATOM 0 HB VAL A 51 1.102 10.859 -7.486 1.00 41.20 H new ATOM 0 HG11 VAL A 51 -0.295 8.837 -7.751 1.00 55.42 H new ATOM 0 HG12 VAL A 51 1.232 8.484 -6.907 1.00 55.42 H new ATOM 0 HG13 VAL A 51 -0.286 8.610 -5.986 1.00 55.42 H new ATOM 0 HG21 VAL A 51 -1.359 11.035 -7.551 1.00 20.42 H new ATOM 0 HG22 VAL A 51 -1.407 10.912 -5.777 1.00 20.42 H new ATOM 0 HG23 VAL A 51 -0.626 12.311 -6.551 1.00 20.42 H new ATOM 841 N ALA A 52 2.968 12.509 -5.640 1.00 12.22 N ATOM 842 CA ALA A 52 3.445 13.879 -5.695 1.00 61.12 C ATOM 843 C ALA A 52 3.277 14.424 -7.105 1.00 51.43 C ATOM 844 O ALA A 52 3.430 13.685 -8.080 1.00 12.35 O ATOM 845 CB ALA A 52 4.900 13.958 -5.259 1.00 64.24 C ATOM 0 H ALA A 52 3.665 11.807 -5.889 1.00 12.22 H new ATOM 0 HA ALA A 52 2.855 14.487 -5.009 1.00 61.12 H new ATOM 0 HB1 ALA A 52 5.239 14.993 -5.307 1.00 64.24 H new ATOM 0 HB2 ALA A 52 4.994 13.593 -4.236 1.00 64.24 H new ATOM 0 HB3 ALA A 52 5.512 13.345 -5.921 1.00 64.24 H new ATOM 851 N LYS A 53 2.989 15.717 -7.210 1.00 64.42 N ATOM 852 CA LYS A 53 2.679 16.343 -8.497 1.00 22.01 C ATOM 853 C LYS A 53 3.901 16.424 -9.419 1.00 32.22 C ATOM 854 O LYS A 53 3.834 17.011 -10.496 1.00 23.40 O ATOM 855 CB LYS A 53 2.077 17.742 -8.275 1.00 24.21 C ATOM 856 CG LYS A 53 2.978 18.714 -7.511 1.00 61.22 C ATOM 857 CD LYS A 53 3.976 19.417 -8.423 1.00 22.33 C ATOM 858 CE LYS A 53 3.275 20.285 -9.456 1.00 4.22 C ATOM 859 NZ LYS A 53 2.560 21.424 -8.824 1.00 11.35 N ATOM 0 H LYS A 53 2.963 16.357 -6.417 1.00 64.42 H new ATOM 0 HA LYS A 53 1.946 15.709 -8.997 1.00 22.01 H new ATOM 0 HB2 LYS A 53 1.837 18.177 -9.245 1.00 24.21 H new ATOM 0 HB3 LYS A 53 1.138 17.636 -7.732 1.00 24.21 H new ATOM 0 HG2 LYS A 53 2.361 19.459 -7.009 1.00 61.22 H new ATOM 0 HG3 LYS A 53 3.518 18.172 -6.735 1.00 61.22 H new ATOM 0 HD2 LYS A 53 4.646 20.033 -7.824 1.00 22.33 H new ATOM 0 HD3 LYS A 53 4.593 18.675 -8.929 1.00 22.33 H new ATOM 0 HE2 LYS A 53 4.007 20.665 -10.169 1.00 4.22 H new ATOM 0 HE3 LYS A 53 2.566 19.679 -10.020 1.00 4.22 H new ATOM 0 HZ1 LYS A 53 2.254 22.093 -9.559 1.00 11.35 H new ATOM 0 HZ2 LYS A 53 1.728 21.070 -8.310 1.00 11.35 H new ATOM 0 HZ3 LYS A 53 3.197 21.908 -8.160 1.00 11.35 H new ATOM 873 N LYS A 54 5.011 15.840 -8.997 1.00 22.42 N ATOM 874 CA LYS A 54 6.210 15.821 -9.820 1.00 73.04 C ATOM 875 C LYS A 54 6.391 14.463 -10.494 1.00 75.05 C ATOM 876 O LYS A 54 6.911 14.383 -11.605 1.00 70.31 O ATOM 877 CB LYS A 54 7.447 16.188 -8.991 1.00 71.24 C ATOM 878 CG LYS A 54 7.621 15.360 -7.728 1.00 2.10 C ATOM 879 CD LYS A 54 8.860 15.780 -6.952 1.00 22.14 C ATOM 880 CE LYS A 54 8.806 17.251 -6.564 1.00 35.24 C ATOM 881 NZ LYS A 54 10.015 17.672 -5.805 1.00 44.33 N ATOM 0 H LYS A 54 5.107 15.375 -8.094 1.00 22.42 H new ATOM 0 HA LYS A 54 6.091 16.571 -10.602 1.00 73.04 H new ATOM 0 HB2 LYS A 54 8.335 16.072 -9.613 1.00 71.24 H new ATOM 0 HB3 LYS A 54 7.386 17.241 -8.716 1.00 71.24 H new ATOM 0 HG2 LYS A 54 6.740 15.470 -7.096 1.00 2.10 H new ATOM 0 HG3 LYS A 54 7.695 14.305 -7.991 1.00 2.10 H new ATOM 0 HD2 LYS A 54 8.952 15.169 -6.054 1.00 22.14 H new ATOM 0 HD3 LYS A 54 9.748 15.595 -7.556 1.00 22.14 H new ATOM 0 HE2 LYS A 54 8.712 17.860 -7.463 1.00 35.24 H new ATOM 0 HE3 LYS A 54 7.917 17.434 -5.961 1.00 35.24 H new ATOM 0 HZ1 LYS A 54 9.938 18.680 -5.560 1.00 44.33 H new ATOM 0 HZ2 LYS A 54 10.091 17.109 -4.934 1.00 44.33 H new ATOM 0 HZ3 LYS A 54 10.862 17.522 -6.390 1.00 44.33 H new ATOM 895 N ASN A 55 5.944 13.397 -9.836 1.00 11.02 N ATOM 896 CA ASN A 55 6.099 12.050 -10.380 1.00 4.24 C ATOM 897 C ASN A 55 4.769 11.522 -10.912 1.00 63.25 C ATOM 898 O ASN A 55 4.742 10.696 -11.821 1.00 33.02 O ATOM 899 CB ASN A 55 6.690 11.103 -9.326 1.00 15.21 C ATOM 900 CG ASN A 55 5.756 10.817 -8.167 1.00 55.12 C ATOM 901 OD1 ASN A 55 5.613 11.629 -7.256 1.00 33.00 O ATOM 902 ND2 ASN A 55 5.148 9.642 -8.172 1.00 30.45 N ATOM 0 H ASN A 55 5.475 13.438 -8.931 1.00 11.02 H new ATOM 0 HA ASN A 55 6.796 12.098 -11.216 1.00 4.24 H new ATOM 0 HB2 ASN A 55 6.957 10.161 -9.806 1.00 15.21 H new ATOM 0 HB3 ASN A 55 7.612 11.536 -8.939 1.00 15.21 H new ATOM 0 HD21 ASN A 55 4.534 9.382 -7.400 1.00 30.45 H new ATOM 0 HD22 ASN A 55 5.293 8.996 -8.948 1.00 30.45 H new ATOM 909 N VAL A 56 3.670 11.997 -10.338 1.00 43.53 N ATOM 910 CA VAL A 56 2.335 11.705 -10.848 1.00 43.44 C ATOM 911 C VAL A 56 1.512 12.989 -10.828 1.00 75.21 C ATOM 912 O VAL A 56 0.977 13.386 -9.792 1.00 44.53 O ATOM 913 CB VAL A 56 1.609 10.609 -10.031 1.00 60.14 C ATOM 914 CG1 VAL A 56 0.250 10.304 -10.635 1.00 2.44 C ATOM 915 CG2 VAL A 56 2.439 9.338 -9.955 1.00 63.35 C ATOM 0 H VAL A 56 3.678 12.593 -9.510 1.00 43.53 H new ATOM 0 HA VAL A 56 2.442 11.324 -11.864 1.00 43.44 H new ATOM 0 HB VAL A 56 1.470 10.989 -9.019 1.00 60.14 H new ATOM 0 HG11 VAL A 56 -0.245 9.531 -10.047 1.00 2.44 H new ATOM 0 HG12 VAL A 56 -0.360 11.207 -10.633 1.00 2.44 H new ATOM 0 HG13 VAL A 56 0.377 9.954 -11.659 1.00 2.44 H new ATOM 0 HG21 VAL A 56 1.902 8.587 -9.375 1.00 63.35 H new ATOM 0 HG22 VAL A 56 2.618 8.959 -10.961 1.00 63.35 H new ATOM 0 HG23 VAL A 56 3.393 9.555 -9.474 1.00 63.35 H new ATOM 925 N ARG A 57 1.420 13.637 -11.975 1.00 72.42 N ATOM 926 CA ARG A 57 0.906 14.999 -12.043 1.00 21.43 C ATOM 927 C ARG A 57 -0.350 15.104 -12.898 1.00 15.03 C ATOM 928 O ARG A 57 -1.229 15.920 -12.623 1.00 33.33 O ATOM 929 CB ARG A 57 1.982 15.947 -12.590 1.00 20.53 C ATOM 930 CG ARG A 57 2.729 15.415 -13.809 1.00 73.44 C ATOM 931 CD ARG A 57 3.887 14.507 -13.413 1.00 73.24 C ATOM 932 NE ARG A 57 3.966 13.322 -14.266 1.00 21.11 N ATOM 933 CZ ARG A 57 5.101 12.703 -14.594 1.00 43.42 C ATOM 934 NH1 ARG A 57 6.269 13.132 -14.127 1.00 31.14 N ATOM 935 NH2 ARG A 57 5.062 11.634 -15.372 1.00 4.35 N ATOM 0 H ARG A 57 1.694 13.244 -12.875 1.00 72.42 H new ATOM 0 HA ARG A 57 0.639 15.288 -11.027 1.00 21.43 H new ATOM 0 HB2 ARG A 57 1.514 16.896 -12.851 1.00 20.53 H new ATOM 0 HB3 ARG A 57 2.703 16.154 -11.799 1.00 20.53 H new ATOM 0 HG2 ARG A 57 2.038 14.865 -14.447 1.00 73.44 H new ATOM 0 HG3 ARG A 57 3.108 16.251 -14.396 1.00 73.44 H new ATOM 0 HD2 ARG A 57 4.822 15.063 -13.476 1.00 73.24 H new ATOM 0 HD3 ARG A 57 3.768 14.199 -12.374 1.00 73.24 H new ATOM 0 HE ARG A 57 3.094 12.943 -14.635 1.00 21.11 H new ATOM 0 HH11 ARG A 57 6.305 13.944 -13.510 1.00 31.14 H new ATOM 0 HH12 ARG A 57 7.130 12.650 -14.385 1.00 31.14 H new ATOM 0 HH21 ARG A 57 4.167 11.287 -15.718 1.00 4.35 H new ATOM 0 HH22 ARG A 57 5.927 11.156 -15.626 1.00 4.35 H new ATOM 949 N ARG A 58 -0.435 14.285 -13.930 1.00 2.13 N ATOM 950 CA ARG A 58 -1.535 14.369 -14.876 1.00 53.14 C ATOM 951 C ARG A 58 -2.732 13.573 -14.379 1.00 11.11 C ATOM 952 O ARG A 58 -2.575 12.558 -13.696 1.00 75.14 O ATOM 953 CB ARG A 58 -1.080 13.866 -16.247 1.00 63.25 C ATOM 954 CG ARG A 58 0.087 14.659 -16.807 1.00 53.24 C ATOM 955 CD ARG A 58 0.687 14.004 -18.037 1.00 35.42 C ATOM 956 NE ARG A 58 1.845 14.751 -18.517 1.00 1.03 N ATOM 957 CZ ARG A 58 3.011 14.203 -18.844 1.00 61.34 C ATOM 958 NH1 ARG A 58 3.178 12.888 -18.794 1.00 12.54 N ATOM 959 NH2 ARG A 58 4.010 14.980 -19.237 1.00 61.25 N ATOM 0 H ARG A 58 0.245 13.553 -14.136 1.00 2.13 H new ATOM 0 HA ARG A 58 -1.841 15.411 -14.969 1.00 53.14 H new ATOM 0 HB2 ARG A 58 -0.796 12.817 -16.168 1.00 63.25 H new ATOM 0 HB3 ARG A 58 -1.916 13.918 -16.944 1.00 63.25 H new ATOM 0 HG2 ARG A 58 -0.248 15.665 -17.060 1.00 53.24 H new ATOM 0 HG3 ARG A 58 0.855 14.762 -16.041 1.00 53.24 H new ATOM 0 HD2 ARG A 58 0.982 12.982 -17.801 1.00 35.42 H new ATOM 0 HD3 ARG A 58 -0.064 13.945 -18.825 1.00 35.42 H new ATOM 0 HE ARG A 58 1.753 15.763 -18.608 1.00 1.03 H new ATOM 0 HH11 ARG A 58 2.407 12.287 -18.502 1.00 12.54 H new ATOM 0 HH12 ARG A 58 4.077 12.478 -19.047 1.00 12.54 H new ATOM 0 HH21 ARG A 58 3.881 15.991 -19.287 1.00 61.25 H new ATOM 0 HH22 ARG A 58 4.908 14.567 -19.490 1.00 61.25 H new ATOM 973 N ALA A 59 -3.924 14.039 -14.726 1.00 21.31 N ATOM 974 CA ALA A 59 -5.156 13.386 -14.309 1.00 60.00 C ATOM 975 C ALA A 59 -5.196 11.955 -14.820 1.00 44.43 C ATOM 976 O ALA A 59 -5.595 11.037 -14.105 1.00 32.11 O ATOM 977 CB ALA A 59 -6.361 14.172 -14.806 1.00 31.14 C ATOM 0 H ALA A 59 -4.063 14.872 -15.298 1.00 21.31 H new ATOM 0 HA ALA A 59 -5.189 13.359 -13.220 1.00 60.00 H new ATOM 0 HB1 ALA A 59 -7.277 13.674 -14.488 1.00 31.14 H new ATOM 0 HB2 ALA A 59 -6.334 15.180 -14.392 1.00 31.14 H new ATOM 0 HB3 ALA A 59 -6.337 14.226 -15.894 1.00 31.14 H new ATOM 983 N HIS A 60 -4.745 11.771 -16.056 1.00 75.13 N ATOM 984 CA HIS A 60 -4.689 10.451 -16.668 1.00 53.54 C ATOM 985 C HIS A 60 -3.771 9.525 -15.869 1.00 44.43 C ATOM 986 O HIS A 60 -4.000 8.320 -15.796 1.00 55.31 O ATOM 987 CB HIS A 60 -4.203 10.564 -18.118 1.00 72.12 C ATOM 988 CG HIS A 60 -4.208 9.264 -18.865 1.00 11.31 C ATOM 989 ND1 HIS A 60 -3.099 8.761 -19.512 1.00 2.13 N ATOM 990 CD2 HIS A 60 -5.202 8.371 -19.080 1.00 21.41 C ATOM 991 CE1 HIS A 60 -3.410 7.613 -20.087 1.00 50.41 C ATOM 992 NE2 HIS A 60 -4.678 7.355 -19.838 1.00 74.23 N ATOM 0 H HIS A 60 -4.411 12.525 -16.656 1.00 75.13 H new ATOM 0 HA HIS A 60 -5.692 10.023 -16.665 1.00 53.54 H new ATOM 0 HB2 HIS A 60 -4.834 11.278 -18.647 1.00 72.12 H new ATOM 0 HB3 HIS A 60 -3.191 10.969 -18.121 1.00 72.12 H new ATOM 0 HD2 HIS A 60 -6.218 8.445 -18.722 1.00 21.41 H new ATOM 0 HE1 HIS A 60 -2.740 6.992 -20.663 1.00 50.41 H new ATOM 0 HE2 HIS A 60 -5.188 6.532 -20.158 1.00 74.23 H new ATOM 1001 N GLU A 61 -2.741 10.100 -15.258 1.00 63.25 N ATOM 1002 CA GLU A 61 -1.803 9.330 -14.455 1.00 51.33 C ATOM 1003 C GLU A 61 -2.450 8.927 -13.133 1.00 22.21 C ATOM 1004 O GLU A 61 -2.364 7.775 -12.713 1.00 50.34 O ATOM 1005 CB GLU A 61 -0.527 10.136 -14.195 1.00 2.22 C ATOM 1006 CG GLU A 61 0.148 10.628 -15.465 1.00 62.31 C ATOM 1007 CD GLU A 61 1.414 11.421 -15.198 1.00 62.33 C ATOM 1008 OE1 GLU A 61 1.372 12.361 -14.377 1.00 43.40 O ATOM 1009 OE2 GLU A 61 2.446 11.132 -15.839 1.00 70.55 O ATOM 0 H GLU A 61 -2.536 11.098 -15.305 1.00 63.25 H new ATOM 0 HA GLU A 61 -1.535 8.429 -15.006 1.00 51.33 H new ATOM 0 HB2 GLU A 61 -0.770 10.993 -13.566 1.00 2.22 H new ATOM 0 HB3 GLU A 61 0.176 9.519 -13.635 1.00 2.22 H new ATOM 0 HG2 GLU A 61 0.389 9.773 -16.096 1.00 62.31 H new ATOM 0 HG3 GLU A 61 -0.552 11.249 -16.024 1.00 62.31 H new ATOM 1016 N ARG A 62 -3.135 9.874 -12.497 1.00 31.11 N ATOM 1017 CA ARG A 62 -3.792 9.607 -11.223 1.00 43.31 C ATOM 1018 C ARG A 62 -5.036 8.740 -11.403 1.00 65.15 C ATOM 1019 O ARG A 62 -5.597 8.250 -10.426 1.00 43.43 O ATOM 1020 CB ARG A 62 -4.143 10.905 -10.491 1.00 2.32 C ATOM 1021 CG ARG A 62 -2.960 11.517 -9.754 1.00 13.05 C ATOM 1022 CD ARG A 62 -2.401 12.742 -10.467 1.00 23.44 C ATOM 1023 NE ARG A 62 -3.132 13.956 -10.114 1.00 2.42 N ATOM 1024 CZ ARG A 62 -2.596 14.976 -9.445 1.00 34.05 C ATOM 1025 NH1 ARG A 62 -1.326 14.929 -9.061 1.00 62.44 N ATOM 1026 NH2 ARG A 62 -3.328 16.044 -9.159 1.00 45.21 N ATOM 0 H ARG A 62 -3.249 10.827 -12.841 1.00 31.11 H new ATOM 0 HA ARG A 62 -3.082 9.053 -10.609 1.00 43.31 H new ATOM 0 HB2 ARG A 62 -4.528 11.628 -11.211 1.00 2.32 H new ATOM 0 HB3 ARG A 62 -4.944 10.707 -9.778 1.00 2.32 H new ATOM 0 HG2 ARG A 62 -3.268 11.796 -8.746 1.00 13.05 H new ATOM 0 HG3 ARG A 62 -2.173 10.769 -9.651 1.00 13.05 H new ATOM 0 HD2 ARG A 62 -1.349 12.864 -10.210 1.00 23.44 H new ATOM 0 HD3 ARG A 62 -2.450 12.589 -11.545 1.00 23.44 H new ATOM 0 HE ARG A 62 -4.110 14.027 -10.396 1.00 2.42 H new ATOM 0 HH11 ARG A 62 -0.758 14.110 -9.278 1.00 62.44 H new ATOM 0 HH12 ARG A 62 -0.919 15.712 -8.549 1.00 62.44 H new ATOM 0 HH21 ARG A 62 -4.304 16.086 -9.451 1.00 45.21 H new ATOM 0 HH22 ARG A 62 -2.915 16.823 -8.647 1.00 45.21 H new ATOM 1040 N ASN A 63 -5.475 8.575 -12.644 1.00 25.02 N ATOM 1041 CA ASN A 63 -6.520 7.604 -12.970 1.00 34.42 C ATOM 1042 C ASN A 63 -5.893 6.230 -13.158 1.00 14.10 C ATOM 1043 O ASN A 63 -6.342 5.238 -12.583 1.00 71.34 O ATOM 1044 CB ASN A 63 -7.263 7.997 -14.254 1.00 71.25 C ATOM 1045 CG ASN A 63 -8.173 9.201 -14.080 1.00 62.53 C ATOM 1046 OD1 ASN A 63 -8.826 9.300 -12.933 1.00 11.53 O flip ATOM 1047 ND2 ASN A 63 -8.320 10.014 -14.993 1.00 14.12 N flip ATOM 0 H ASN A 63 -5.125 9.100 -13.445 1.00 25.02 H new ATOM 0 HA ASN A 63 -7.236 7.585 -12.148 1.00 34.42 H new ATOM 0 HB2 ASN A 63 -6.534 8.212 -15.035 1.00 71.25 H new ATOM 0 HB3 ASN A 63 -7.856 7.149 -14.596 1.00 71.25 H new ATOM 0 HD21 ASN A 63 -7.799 9.904 -15.863 1.00 14.12 H new ATOM 0 HD22 ASN A 63 -8.963 10.798 -14.880 1.00 14.12 H new ATOM 1054 N ARG A 64 -4.835 6.204 -13.959 1.00 42.22 N ATOM 1055 CA ARG A 64 -4.106 4.983 -14.277 1.00 3.33 C ATOM 1056 C ARG A 64 -3.642 4.252 -13.018 1.00 21.22 C ATOM 1057 O ARG A 64 -3.899 3.057 -12.856 1.00 34.25 O ATOM 1058 CB ARG A 64 -2.907 5.346 -15.158 1.00 61.52 C ATOM 1059 CG ARG A 64 -1.867 4.251 -15.302 1.00 75.24 C ATOM 1060 CD ARG A 64 -0.698 4.732 -16.143 1.00 21.21 C ATOM 1061 NE ARG A 64 0.478 3.881 -15.994 1.00 34.55 N ATOM 1062 CZ ARG A 64 1.574 3.993 -16.745 1.00 41.13 C ATOM 1063 NH1 ARG A 64 1.618 4.875 -17.741 1.00 41.05 N ATOM 1064 NH2 ARG A 64 2.621 3.215 -16.503 1.00 1.22 N ATOM 0 H ARG A 64 -4.456 7.037 -14.410 1.00 42.22 H new ATOM 0 HA ARG A 64 -4.773 4.304 -14.808 1.00 3.33 H new ATOM 0 HB2 ARG A 64 -3.271 5.614 -16.150 1.00 61.52 H new ATOM 0 HB3 ARG A 64 -2.426 6.232 -14.745 1.00 61.52 H new ATOM 0 HG2 ARG A 64 -1.513 3.947 -14.317 1.00 75.24 H new ATOM 0 HG3 ARG A 64 -2.317 3.373 -15.764 1.00 75.24 H new ATOM 0 HD2 ARG A 64 -0.994 4.758 -17.192 1.00 21.21 H new ATOM 0 HD3 ARG A 64 -0.444 5.753 -15.858 1.00 21.21 H new ATOM 0 HE ARG A 64 0.461 3.159 -15.274 1.00 34.55 H new ATOM 0 HH11 ARG A 64 0.811 5.469 -17.932 1.00 41.05 H new ATOM 0 HH12 ARG A 64 2.459 4.957 -18.313 1.00 41.05 H new ATOM 0 HH21 ARG A 64 2.586 2.534 -15.744 1.00 1.22 H new ATOM 0 HH22 ARG A 64 3.461 3.298 -17.075 1.00 1.22 H new ATOM 1078 N ILE A 65 -2.975 4.976 -12.126 1.00 45.11 N ATOM 1079 CA ILE A 65 -2.402 4.367 -10.930 1.00 34.31 C ATOM 1080 C ILE A 65 -3.503 3.854 -9.994 1.00 40.04 C ATOM 1081 O ILE A 65 -3.303 2.881 -9.265 1.00 11.31 O ATOM 1082 CB ILE A 65 -1.474 5.354 -10.177 1.00 0.44 C ATOM 1083 CG1 ILE A 65 -0.448 5.965 -11.138 1.00 14.52 C ATOM 1084 CG2 ILE A 65 -0.757 4.654 -9.031 1.00 60.43 C ATOM 1085 CD1 ILE A 65 0.473 4.948 -11.784 1.00 75.22 C ATOM 0 H ILE A 65 -2.818 5.981 -12.207 1.00 45.11 H new ATOM 0 HA ILE A 65 -1.799 3.519 -11.256 1.00 34.31 H new ATOM 0 HB ILE A 65 -2.093 6.151 -9.766 1.00 0.44 H new ATOM 0 HG12 ILE A 65 -0.977 6.509 -11.920 1.00 14.52 H new ATOM 0 HG13 ILE A 65 0.155 6.693 -10.595 1.00 14.52 H new ATOM 0 HG21 ILE A 65 -0.111 5.366 -8.517 1.00 60.43 H new ATOM 0 HG22 ILE A 65 -1.492 4.258 -8.330 1.00 60.43 H new ATOM 0 HG23 ILE A 65 -0.154 3.836 -9.425 1.00 60.43 H new ATOM 0 HD11 ILE A 65 1.169 5.459 -12.449 1.00 75.22 H new ATOM 0 HD12 ILE A 65 1.031 4.420 -11.011 1.00 75.22 H new ATOM 0 HD13 ILE A 65 -0.118 4.234 -12.357 1.00 75.22 H new ATOM 1097 N LYS A 66 -4.677 4.486 -10.041 1.00 15.52 N ATOM 1098 CA LYS A 66 -5.807 4.048 -9.221 1.00 54.51 C ATOM 1099 C LYS A 66 -6.295 2.674 -9.657 1.00 63.30 C ATOM 1100 O LYS A 66 -6.526 1.798 -8.827 1.00 64.55 O ATOM 1101 CB LYS A 66 -6.982 5.028 -9.288 1.00 61.34 C ATOM 1102 CG LYS A 66 -6.791 6.302 -8.487 1.00 72.05 C ATOM 1103 CD LYS A 66 -8.104 7.058 -8.348 1.00 22.52 C ATOM 1104 CE LYS A 66 -7.913 8.394 -7.647 1.00 13.40 C ATOM 1105 NZ LYS A 66 -7.272 9.403 -8.533 1.00 64.24 N ATOM 0 H LYS A 66 -4.869 5.295 -10.632 1.00 15.52 H new ATOM 0 HA LYS A 66 -5.443 4.006 -8.194 1.00 54.51 H new ATOM 0 HB2 LYS A 66 -7.157 5.293 -10.331 1.00 61.34 H new ATOM 0 HB3 LYS A 66 -7.880 4.523 -8.932 1.00 61.34 H new ATOM 0 HG2 LYS A 66 -6.400 6.060 -7.499 1.00 72.05 H new ATOM 0 HG3 LYS A 66 -6.052 6.936 -8.976 1.00 72.05 H new ATOM 0 HD2 LYS A 66 -8.535 7.224 -9.335 1.00 22.52 H new ATOM 0 HD3 LYS A 66 -8.815 6.452 -7.788 1.00 22.52 H new ATOM 0 HE2 LYS A 66 -8.880 8.769 -7.312 1.00 13.40 H new ATOM 0 HE3 LYS A 66 -7.300 8.252 -6.757 1.00 13.40 H new ATOM 0 HZ1 LYS A 66 -6.571 9.947 -7.990 1.00 64.24 H new ATOM 0 HZ2 LYS A 66 -6.799 8.920 -9.323 1.00 64.24 H new ATOM 0 HZ3 LYS A 66 -7.997 10.048 -8.906 1.00 64.24 H new ATOM 1119 N ARG A 67 -6.453 2.489 -10.961 1.00 70.42 N ATOM 1120 CA ARG A 67 -6.993 1.241 -11.492 1.00 31.25 C ATOM 1121 C ARG A 67 -6.038 0.085 -11.222 1.00 34.15 C ATOM 1122 O ARG A 67 -6.464 -1.048 -11.011 1.00 21.34 O ATOM 1123 CB ARG A 67 -7.260 1.362 -12.996 1.00 20.13 C ATOM 1124 CG ARG A 67 -8.062 2.597 -13.375 1.00 44.21 C ATOM 1125 CD ARG A 67 -8.551 2.533 -14.812 1.00 61.52 C ATOM 1126 NE ARG A 67 -9.702 1.641 -14.960 1.00 44.41 N ATOM 1127 CZ ARG A 67 -10.526 1.660 -16.006 1.00 42.55 C ATOM 1128 NH1 ARG A 67 -10.246 2.415 -17.062 1.00 23.32 N ATOM 1129 NH2 ARG A 67 -11.607 0.889 -16.008 1.00 71.32 N ATOM 0 H ARG A 67 -6.216 3.183 -11.670 1.00 70.42 H new ATOM 0 HA ARG A 67 -7.937 1.040 -10.986 1.00 31.25 H new ATOM 0 HB2 ARG A 67 -6.307 1.381 -13.525 1.00 20.13 H new ATOM 0 HB3 ARG A 67 -7.794 0.474 -13.334 1.00 20.13 H new ATOM 0 HG2 ARG A 67 -8.916 2.696 -12.705 1.00 44.21 H new ATOM 0 HG3 ARG A 67 -7.446 3.486 -13.240 1.00 44.21 H new ATOM 0 HD2 ARG A 67 -8.822 3.534 -15.148 1.00 61.52 H new ATOM 0 HD3 ARG A 67 -7.741 2.190 -15.456 1.00 61.52 H new ATOM 0 HE ARG A 67 -9.884 0.965 -14.218 1.00 44.41 H new ATOM 0 HH11 ARG A 67 -9.398 2.982 -17.073 1.00 23.32 H new ATOM 0 HH12 ARG A 67 -10.879 2.428 -17.862 1.00 23.32 H new ATOM 0 HH21 ARG A 67 -11.804 0.285 -15.210 1.00 71.32 H new ATOM 0 HH22 ARG A 67 -12.240 0.901 -16.807 1.00 71.32 H new ATOM 1143 N LEU A 68 -4.746 0.389 -11.212 1.00 44.00 N ATOM 1144 CA LEU A 68 -3.724 -0.618 -10.962 1.00 42.01 C ATOM 1145 C LEU A 68 -3.767 -1.056 -9.498 1.00 30.22 C ATOM 1146 O LEU A 68 -3.745 -2.249 -9.190 1.00 33.25 O ATOM 1147 CB LEU A 68 -2.338 -0.047 -11.326 1.00 44.11 C ATOM 1148 CG LEU A 68 -1.201 -1.064 -11.539 1.00 35.01 C ATOM 1149 CD1 LEU A 68 -0.735 -1.669 -10.221 1.00 2.34 C ATOM 1150 CD2 LEU A 68 -1.639 -2.160 -12.501 1.00 41.03 C ATOM 0 H LEU A 68 -4.381 1.328 -11.375 1.00 44.00 H new ATOM 0 HA LEU A 68 -3.914 -1.493 -11.583 1.00 42.01 H new ATOM 0 HB2 LEU A 68 -2.442 0.542 -12.237 1.00 44.11 H new ATOM 0 HB3 LEU A 68 -2.035 0.640 -10.536 1.00 44.11 H new ATOM 0 HG LEU A 68 -0.357 -0.529 -11.975 1.00 35.01 H new ATOM 0 HD11 LEU A 68 0.068 -2.382 -10.411 1.00 2.34 H new ATOM 0 HD12 LEU A 68 -0.370 -0.878 -9.566 1.00 2.34 H new ATOM 0 HD13 LEU A 68 -1.569 -2.181 -9.741 1.00 2.34 H new ATOM 0 HD21 LEU A 68 -0.823 -2.870 -12.640 1.00 41.03 H new ATOM 0 HD22 LEU A 68 -2.506 -2.679 -12.091 1.00 41.03 H new ATOM 0 HD23 LEU A 68 -1.902 -1.717 -13.462 1.00 41.03 H new ATOM 1162 N THR A 69 -3.857 -0.085 -8.600 1.00 43.12 N ATOM 1163 CA THR A 69 -3.793 -0.362 -7.172 1.00 31.44 C ATOM 1164 C THR A 69 -5.135 -0.831 -6.612 1.00 40.14 C ATOM 1165 O THR A 69 -5.211 -1.879 -5.969 1.00 61.14 O ATOM 1166 CB THR A 69 -3.318 0.880 -6.392 1.00 61.02 C ATOM 1167 OG1 THR A 69 -4.038 2.042 -6.826 1.00 31.21 O ATOM 1168 CG2 THR A 69 -1.829 1.109 -6.584 1.00 14.34 C ATOM 0 H THR A 69 -3.974 0.901 -8.835 1.00 43.12 H new ATOM 0 HA THR A 69 -3.073 -1.170 -7.045 1.00 31.44 H new ATOM 0 HB THR A 69 -3.511 0.704 -5.334 1.00 61.02 H new ATOM 0 HG1 THR A 69 -3.597 2.426 -7.612 1.00 31.21 H new ATOM 0 HG21 THR A 69 -1.521 1.991 -6.023 1.00 14.34 H new ATOM 0 HG22 THR A 69 -1.278 0.240 -6.225 1.00 14.34 H new ATOM 0 HG23 THR A 69 -1.618 1.260 -7.643 1.00 14.34 H new ATOM 1176 N ARG A 70 -6.192 -0.074 -6.873 1.00 62.43 N ATOM 1177 CA ARG A 70 -7.483 -0.322 -6.238 1.00 62.33 C ATOM 1178 C ARG A 70 -8.098 -1.644 -6.689 1.00 4.23 C ATOM 1179 O ARG A 70 -8.797 -2.290 -5.915 1.00 22.51 O ATOM 1180 CB ARG A 70 -8.450 0.839 -6.490 1.00 52.44 C ATOM 1181 CG ARG A 70 -9.751 0.715 -5.710 1.00 31.14 C ATOM 1182 CD ARG A 70 -10.555 2.006 -5.734 1.00 44.22 C ATOM 1183 NE ARG A 70 -11.806 1.876 -4.984 1.00 52.24 N ATOM 1184 CZ ARG A 70 -12.023 2.422 -3.784 1.00 21.44 C ATOM 1185 NH1 ARG A 70 -11.090 3.164 -3.202 1.00 23.34 N ATOM 1186 NH2 ARG A 70 -13.182 2.231 -3.175 1.00 62.11 N ATOM 0 H ARG A 70 -6.183 0.716 -7.518 1.00 62.43 H new ATOM 0 HA ARG A 70 -7.303 -0.396 -5.165 1.00 62.33 H new ATOM 0 HB2 ARG A 70 -7.961 1.776 -6.222 1.00 52.44 H new ATOM 0 HB3 ARG A 70 -8.676 0.891 -7.555 1.00 52.44 H new ATOM 0 HG2 ARG A 70 -10.350 -0.093 -6.130 1.00 31.14 H new ATOM 0 HG3 ARG A 70 -9.530 0.444 -4.677 1.00 31.14 H new ATOM 0 HD2 ARG A 70 -9.959 2.814 -5.311 1.00 44.22 H new ATOM 0 HD3 ARG A 70 -10.775 2.279 -6.766 1.00 44.22 H new ATOM 0 HE ARG A 70 -12.560 1.334 -5.405 1.00 52.24 H new ATOM 0 HH11 ARG A 70 -10.198 3.322 -3.671 1.00 23.34 H new ATOM 0 HH12 ARG A 70 -11.265 3.577 -2.286 1.00 23.34 H new ATOM 0 HH21 ARG A 70 -13.906 1.668 -3.622 1.00 62.11 H new ATOM 0 HH22 ARG A 70 -13.351 2.646 -2.259 1.00 62.11 H new ATOM 1200 N GLU A 71 -7.834 -2.061 -7.925 1.00 32.14 N ATOM 1201 CA GLU A 71 -8.334 -3.351 -8.396 1.00 52.42 C ATOM 1202 C GLU A 71 -7.672 -4.476 -7.602 1.00 72.24 C ATOM 1203 O GLU A 71 -8.306 -5.479 -7.269 1.00 51.33 O ATOM 1204 CB GLU A 71 -8.087 -3.536 -9.902 1.00 15.10 C ATOM 1205 CG GLU A 71 -8.623 -4.855 -10.447 1.00 63.22 C ATOM 1206 CD GLU A 71 -8.521 -4.971 -11.959 1.00 12.43 C ATOM 1207 OE1 GLU A 71 -7.392 -4.956 -12.493 1.00 74.54 O ATOM 1208 OE2 GLU A 71 -9.573 -5.110 -12.619 1.00 31.03 O ATOM 0 H GLU A 71 -7.287 -1.536 -8.608 1.00 32.14 H new ATOM 0 HA GLU A 71 -9.412 -3.381 -8.237 1.00 52.42 H new ATOM 0 HB2 GLU A 71 -8.553 -2.712 -10.443 1.00 15.10 H new ATOM 0 HB3 GLU A 71 -7.016 -3.480 -10.096 1.00 15.10 H new ATOM 0 HG2 GLU A 71 -8.074 -5.678 -9.989 1.00 63.22 H new ATOM 0 HG3 GLU A 71 -9.666 -4.964 -10.151 1.00 63.22 H new ATOM 1215 N SER A 72 -6.408 -4.275 -7.260 1.00 24.30 N ATOM 1216 CA SER A 72 -5.652 -5.251 -6.493 1.00 10.43 C ATOM 1217 C SER A 72 -6.165 -5.309 -5.050 1.00 54.01 C ATOM 1218 O SER A 72 -6.190 -6.373 -4.428 1.00 55.04 O ATOM 1219 CB SER A 72 -4.162 -4.891 -6.521 1.00 41.23 C ATOM 1220 OG SER A 72 -3.358 -5.936 -5.997 1.00 41.04 O ATOM 0 H SER A 72 -5.881 -3.436 -7.505 1.00 24.30 H new ATOM 0 HA SER A 72 -5.785 -6.236 -6.941 1.00 10.43 H new ATOM 0 HB2 SER A 72 -3.859 -4.678 -7.546 1.00 41.23 H new ATOM 0 HB3 SER A 72 -3.997 -3.981 -5.944 1.00 41.23 H new ATOM 0 HG SER A 72 -2.415 -5.672 -6.032 1.00 41.04 H new ATOM 1226 N PHE A 73 -6.600 -4.164 -4.532 1.00 12.43 N ATOM 1227 CA PHE A 73 -7.113 -4.085 -3.166 1.00 32.54 C ATOM 1228 C PHE A 73 -8.631 -4.257 -3.135 1.00 71.41 C ATOM 1229 O PHE A 73 -9.287 -3.922 -2.148 1.00 4.02 O ATOM 1230 CB PHE A 73 -6.715 -2.755 -2.521 1.00 70.32 C ATOM 1231 CG PHE A 73 -5.231 -2.594 -2.362 1.00 25.32 C ATOM 1232 CD1 PHE A 73 -4.496 -3.516 -1.635 1.00 22.52 C ATOM 1233 CD2 PHE A 73 -4.573 -1.525 -2.943 1.00 72.31 C ATOM 1234 CE1 PHE A 73 -3.129 -3.371 -1.491 1.00 3.51 C ATOM 1235 CE2 PHE A 73 -3.208 -1.377 -2.805 1.00 21.13 C ATOM 1236 CZ PHE A 73 -2.486 -2.301 -2.077 1.00 24.51 C ATOM 0 H PHE A 73 -6.608 -3.278 -5.037 1.00 12.43 H new ATOM 0 HA PHE A 73 -6.669 -4.900 -2.594 1.00 32.54 H new ATOM 0 HB2 PHE A 73 -7.100 -1.935 -3.128 1.00 70.32 H new ATOM 0 HB3 PHE A 73 -7.189 -2.677 -1.543 1.00 70.32 H new ATOM 0 HD1 PHE A 73 -4.996 -4.356 -1.176 1.00 22.52 H new ATOM 0 HD2 PHE A 73 -5.134 -0.798 -3.511 1.00 72.31 H new ATOM 0 HE1 PHE A 73 -2.565 -4.094 -0.921 1.00 3.51 H new ATOM 0 HE2 PHE A 73 -2.705 -0.540 -3.266 1.00 21.13 H new ATOM 0 HZ PHE A 73 -1.418 -2.186 -1.966 1.00 24.51 H new ATOM 1246 N ARG A 74 -9.183 -4.788 -4.217 1.00 23.34 N ATOM 1247 CA ARG A 74 -10.618 -5.033 -4.306 1.00 43.32 C ATOM 1248 C ARG A 74 -10.885 -6.472 -4.733 1.00 14.22 C ATOM 1249 O ARG A 74 -11.660 -7.186 -4.101 1.00 61.54 O ATOM 1250 CB ARG A 74 -11.256 -4.040 -5.294 1.00 21.14 C ATOM 1251 CG ARG A 74 -12.764 -4.191 -5.499 1.00 11.40 C ATOM 1252 CD ARG A 74 -13.098 -5.232 -6.560 1.00 4.32 C ATOM 1253 NE ARG A 74 -14.508 -5.196 -6.946 1.00 2.24 N ATOM 1254 CZ ARG A 74 -15.031 -5.924 -7.930 1.00 33.14 C ATOM 1255 NH1 ARG A 74 -14.272 -6.775 -8.612 1.00 41.21 N ATOM 1256 NH2 ARG A 74 -16.318 -5.802 -8.220 1.00 31.21 N ATOM 0 H ARG A 74 -8.658 -5.059 -5.049 1.00 23.34 H new ATOM 0 HA ARG A 74 -11.068 -4.884 -3.324 1.00 43.32 H new ATOM 0 HB2 ARG A 74 -11.054 -3.027 -4.945 1.00 21.14 H new ATOM 0 HB3 ARG A 74 -10.763 -4.149 -6.260 1.00 21.14 H new ATOM 0 HG2 ARG A 74 -13.231 -4.473 -4.555 1.00 11.40 H new ATOM 0 HG3 ARG A 74 -13.188 -3.230 -5.789 1.00 11.40 H new ATOM 0 HD2 ARG A 74 -12.478 -5.063 -7.440 1.00 4.32 H new ATOM 0 HD3 ARG A 74 -12.852 -6.225 -6.183 1.00 4.32 H new ATOM 0 HE ARG A 74 -15.130 -4.574 -6.429 1.00 2.24 H new ATOM 0 HH11 ARG A 74 -13.283 -6.873 -8.383 1.00 41.21 H new ATOM 0 HH12 ARG A 74 -14.678 -7.330 -9.365 1.00 41.21 H new ATOM 0 HH21 ARG A 74 -16.901 -5.154 -7.691 1.00 31.21 H new ATOM 0 HH22 ARG A 74 -16.726 -6.356 -8.973 1.00 31.21 H new ATOM 1270 N LEU A 75 -10.225 -6.891 -5.804 1.00 5.42 N ATOM 1271 CA LEU A 75 -10.455 -8.207 -6.389 1.00 65.21 C ATOM 1272 C LEU A 75 -9.730 -9.295 -5.598 1.00 14.42 C ATOM 1273 O LEU A 75 -10.146 -10.451 -5.579 1.00 4.21 O ATOM 1274 CB LEU A 75 -9.980 -8.202 -7.844 1.00 64.21 C ATOM 1275 CG LEU A 75 -10.342 -9.439 -8.663 1.00 42.14 C ATOM 1276 CD1 LEU A 75 -11.851 -9.544 -8.828 1.00 52.42 C ATOM 1277 CD2 LEU A 75 -9.653 -9.390 -10.017 1.00 31.43 C ATOM 0 H LEU A 75 -9.521 -6.335 -6.289 1.00 5.42 H new ATOM 0 HA LEU A 75 -11.522 -8.426 -6.353 1.00 65.21 H new ATOM 0 HB2 LEU A 75 -10.397 -7.326 -8.340 1.00 64.21 H new ATOM 0 HB3 LEU A 75 -8.896 -8.088 -7.853 1.00 64.21 H new ATOM 0 HG LEU A 75 -9.996 -10.326 -8.132 1.00 42.14 H new ATOM 0 HD11 LEU A 75 -12.092 -10.431 -9.414 1.00 52.42 H new ATOM 0 HD12 LEU A 75 -12.320 -9.619 -7.847 1.00 52.42 H new ATOM 0 HD13 LEU A 75 -12.223 -8.658 -9.341 1.00 52.42 H new ATOM 0 HD21 LEU A 75 -9.918 -10.277 -10.592 1.00 31.43 H new ATOM 0 HD22 LEU A 75 -9.973 -8.498 -10.556 1.00 31.43 H new ATOM 0 HD23 LEU A 75 -8.573 -9.360 -9.875 1.00 31.43 H new ATOM 1289 N ARG A 76 -8.652 -8.909 -4.932 1.00 65.23 N ATOM 1290 CA ARG A 76 -7.831 -9.851 -4.180 1.00 41.25 C ATOM 1291 C ARG A 76 -8.089 -9.675 -2.684 1.00 41.21 C ATOM 1292 O ARG A 76 -7.162 -9.681 -1.869 1.00 22.51 O ATOM 1293 CB ARG A 76 -6.355 -9.608 -4.512 1.00 32.44 C ATOM 1294 CG ARG A 76 -6.070 -9.617 -6.008 1.00 3.23 C ATOM 1295 CD ARG A 76 -6.137 -11.024 -6.587 1.00 12.33 C ATOM 1296 NE ARG A 76 -4.926 -11.786 -6.293 1.00 3.34 N ATOM 1297 CZ ARG A 76 -4.888 -12.864 -5.514 1.00 21.22 C ATOM 1298 NH1 ARG A 76 -6.002 -13.347 -4.979 1.00 13.11 N ATOM 1299 NH2 ARG A 76 -3.732 -13.474 -5.285 1.00 72.30 N ATOM 0 H ARG A 76 -8.323 -7.944 -4.896 1.00 65.23 H new ATOM 0 HA ARG A 76 -8.089 -10.874 -4.454 1.00 41.25 H new ATOM 0 HB2 ARG A 76 -6.048 -8.649 -4.096 1.00 32.44 H new ATOM 0 HB3 ARG A 76 -5.749 -10.374 -4.028 1.00 32.44 H new ATOM 0 HG2 ARG A 76 -6.791 -8.979 -6.519 1.00 3.23 H new ATOM 0 HG3 ARG A 76 -5.082 -9.194 -6.193 1.00 3.23 H new ATOM 0 HD2 ARG A 76 -7.003 -11.545 -6.179 1.00 12.33 H new ATOM 0 HD3 ARG A 76 -6.279 -10.967 -7.666 1.00 12.33 H new ATOM 0 HE ARG A 76 -4.051 -11.471 -6.713 1.00 3.34 H new ATOM 0 HH11 ARG A 76 -6.896 -12.891 -5.164 1.00 13.11 H new ATOM 0 HH12 ARG A 76 -5.965 -14.174 -4.383 1.00 13.11 H new ATOM 0 HH21 ARG A 76 -2.874 -13.116 -5.706 1.00 72.30 H new ATOM 0 HH22 ARG A 76 -3.701 -14.301 -4.688 1.00 72.30 H new ATOM 1313 N GLN A 77 -9.369 -9.556 -2.342 1.00 2.23 N ATOM 1314 CA GLN A 77 -9.798 -9.178 -0.996 1.00 25.35 C ATOM 1315 C GLN A 77 -9.678 -10.327 0.011 1.00 3.11 C ATOM 1316 O GLN A 77 -9.452 -10.092 1.193 1.00 54.03 O ATOM 1317 CB GLN A 77 -11.242 -8.649 -1.020 1.00 52.21 C ATOM 1318 CG GLN A 77 -12.315 -9.708 -1.268 1.00 53.33 C ATOM 1319 CD GLN A 77 -12.204 -10.386 -2.624 1.00 10.24 C ATOM 1320 OE1 GLN A 77 -11.544 -11.416 -2.766 1.00 23.11 O ATOM 1321 NE2 GLN A 77 -12.838 -9.807 -3.625 1.00 33.55 N ATOM 0 H GLN A 77 -10.140 -9.719 -2.990 1.00 2.23 H new ATOM 0 HA GLN A 77 -9.124 -8.388 -0.664 1.00 25.35 H new ATOM 0 HB2 GLN A 77 -11.449 -8.160 -0.068 1.00 52.21 H new ATOM 0 HB3 GLN A 77 -11.320 -7.886 -1.794 1.00 52.21 H new ATOM 0 HG2 GLN A 77 -12.252 -10.466 -0.487 1.00 53.33 H new ATOM 0 HG3 GLN A 77 -13.297 -9.244 -1.183 1.00 53.33 H new ATOM 0 HE21 GLN A 77 -13.374 -8.954 -3.464 1.00 33.55 H new ATOM 0 HE22 GLN A 77 -12.792 -10.212 -4.560 1.00 33.55 H new ATOM 1330 N HIS A 78 -9.817 -11.565 -0.451 1.00 33.05 N ATOM 1331 CA HIS A 78 -9.748 -12.721 0.449 1.00 12.34 C ATOM 1332 C HIS A 78 -8.305 -13.149 0.690 1.00 3.02 C ATOM 1333 O HIS A 78 -8.035 -14.292 1.065 1.00 63.41 O ATOM 1334 CB HIS A 78 -10.567 -13.896 -0.094 1.00 12.03 C ATOM 1335 CG HIS A 78 -12.032 -13.799 0.209 1.00 74.20 C ATOM 1336 ND1 HIS A 78 -12.613 -14.383 1.313 1.00 34.31 N ATOM 1337 CD2 HIS A 78 -13.036 -13.175 -0.451 1.00 11.24 C ATOM 1338 CE1 HIS A 78 -13.907 -14.126 1.317 1.00 60.51 C ATOM 1339 NE2 HIS A 78 -14.189 -13.393 0.261 1.00 75.50 N ATOM 0 H HIS A 78 -9.977 -11.797 -1.431 1.00 33.05 H new ATOM 0 HA HIS A 78 -10.178 -12.415 1.403 1.00 12.34 H new ATOM 0 HB2 HIS A 78 -10.431 -13.954 -1.174 1.00 12.03 H new ATOM 0 HB3 HIS A 78 -10.178 -14.824 0.326 1.00 12.03 H new ATOM 0 HD2 HIS A 78 -12.946 -12.611 -1.367 1.00 11.24 H new ATOM 0 HE1 HIS A 78 -14.615 -14.460 2.061 1.00 60.51 H new ATOM 0 HE2 HIS A 78 -15.114 -13.044 0.012 1.00 75.50 H new ATOM 1348 N GLU A 79 -7.390 -12.215 0.482 1.00 4.54 N ATOM 1349 CA GLU A 79 -5.976 -12.438 0.736 1.00 53.52 C ATOM 1350 C GLU A 79 -5.336 -11.160 1.275 1.00 44.44 C ATOM 1351 O GLU A 79 -4.152 -10.909 1.061 1.00 45.44 O ATOM 1352 CB GLU A 79 -5.264 -12.906 -0.543 1.00 10.15 C ATOM 1353 CG GLU A 79 -5.495 -14.378 -0.861 1.00 64.01 C ATOM 1354 CD GLU A 79 -4.922 -14.801 -2.199 1.00 62.21 C ATOM 1355 OE1 GLU A 79 -3.683 -14.817 -2.353 1.00 41.30 O ATOM 1356 OE2 GLU A 79 -5.714 -15.142 -3.105 1.00 42.01 O ATOM 0 H GLU A 79 -7.607 -11.282 0.133 1.00 4.54 H new ATOM 0 HA GLU A 79 -5.873 -13.223 1.485 1.00 53.52 H new ATOM 0 HB2 GLU A 79 -5.608 -12.302 -1.383 1.00 10.15 H new ATOM 0 HB3 GLU A 79 -4.194 -12.728 -0.440 1.00 10.15 H new ATOM 0 HG2 GLU A 79 -5.049 -14.987 -0.074 1.00 64.01 H new ATOM 0 HG3 GLU A 79 -6.566 -14.580 -0.852 1.00 64.01 H new ATOM 1363 N LEU A 80 -6.130 -10.359 1.983 1.00 32.40 N ATOM 1364 CA LEU A 80 -5.635 -9.122 2.587 1.00 22.31 C ATOM 1365 C LEU A 80 -6.321 -8.851 3.930 1.00 4.41 C ATOM 1366 O LEU A 80 -7.431 -9.332 4.175 1.00 4.04 O ATOM 1367 CB LEU A 80 -5.809 -7.925 1.623 1.00 53.54 C ATOM 1368 CG LEU A 80 -7.218 -7.682 1.057 1.00 71.41 C ATOM 1369 CD1 LEU A 80 -8.138 -7.041 2.087 1.00 44.15 C ATOM 1370 CD2 LEU A 80 -7.142 -6.808 -0.185 1.00 34.41 C ATOM 0 H LEU A 80 -7.119 -10.544 2.153 1.00 32.40 H new ATOM 0 HA LEU A 80 -4.569 -9.247 2.776 1.00 22.31 H new ATOM 0 HB2 LEU A 80 -5.493 -7.022 2.145 1.00 53.54 H new ATOM 0 HB3 LEU A 80 -5.127 -8.064 0.784 1.00 53.54 H new ATOM 0 HG LEU A 80 -7.637 -8.653 0.793 1.00 71.41 H new ATOM 0 HD11 LEU A 80 -9.124 -6.886 1.648 1.00 44.15 H new ATOM 0 HD12 LEU A 80 -8.226 -7.696 2.954 1.00 44.15 H new ATOM 0 HD13 LEU A 80 -7.724 -6.082 2.398 1.00 44.15 H new ATOM 0 HD21 LEU A 80 -8.146 -6.643 -0.576 1.00 34.41 H new ATOM 0 HD22 LEU A 80 -6.691 -5.849 0.072 1.00 34.41 H new ATOM 0 HD23 LEU A 80 -6.534 -7.304 -0.942 1.00 34.41 H new ATOM 1382 N PRO A 81 -5.656 -8.101 4.827 1.00 64.45 N ATOM 1383 CA PRO A 81 -6.221 -7.705 6.115 1.00 61.42 C ATOM 1384 C PRO A 81 -7.049 -6.423 6.009 1.00 3.43 C ATOM 1385 O PRO A 81 -6.933 -5.680 5.032 1.00 1.11 O ATOM 1386 CB PRO A 81 -4.980 -7.470 6.994 1.00 51.15 C ATOM 1387 CG PRO A 81 -3.786 -7.610 6.093 1.00 24.24 C ATOM 1388 CD PRO A 81 -4.295 -7.591 4.678 1.00 3.24 C ATOM 0 HA PRO A 81 -6.903 -8.457 6.512 1.00 61.42 H new ATOM 0 HB2 PRO A 81 -5.009 -6.480 7.449 1.00 51.15 H new ATOM 0 HB3 PRO A 81 -4.939 -8.194 7.808 1.00 51.15 H new ATOM 0 HG2 PRO A 81 -3.080 -6.796 6.259 1.00 24.24 H new ATOM 0 HG3 PRO A 81 -3.255 -8.539 6.299 1.00 24.24 H new ATOM 0 HD2 PRO A 81 -4.282 -6.587 4.255 1.00 3.24 H new ATOM 0 HD3 PRO A 81 -3.695 -8.221 4.022 1.00 3.24 H new ATOM 1396 N ALA A 82 -7.871 -6.159 7.016 1.00 1.14 N ATOM 1397 CA ALA A 82 -8.719 -4.974 7.012 1.00 1.24 C ATOM 1398 C ALA A 82 -7.977 -3.770 7.581 1.00 64.20 C ATOM 1399 O ALA A 82 -8.024 -3.504 8.785 1.00 42.34 O ATOM 1400 CB ALA A 82 -10.000 -5.230 7.789 1.00 12.42 C ATOM 0 H ALA A 82 -7.969 -6.747 7.844 1.00 1.14 H new ATOM 0 HA ALA A 82 -8.982 -4.750 5.978 1.00 1.24 H new ATOM 0 HB1 ALA A 82 -10.620 -4.333 7.774 1.00 12.42 H new ATOM 0 HB2 ALA A 82 -10.545 -6.055 7.331 1.00 12.42 H new ATOM 0 HB3 ALA A 82 -9.755 -5.485 8.820 1.00 12.42 H new ATOM 1406 N MET A 83 -7.278 -3.056 6.711 1.00 13.23 N ATOM 1407 CA MET A 83 -6.502 -1.893 7.116 1.00 51.41 C ATOM 1408 C MET A 83 -6.393 -0.903 5.967 1.00 74.31 C ATOM 1409 O MET A 83 -6.664 -1.251 4.816 1.00 3.00 O ATOM 1410 CB MET A 83 -5.101 -2.317 7.573 1.00 54.44 C ATOM 1411 CG MET A 83 -4.285 -3.003 6.487 1.00 2.34 C ATOM 1412 SD MET A 83 -2.674 -3.568 7.076 1.00 43.31 S ATOM 1413 CE MET A 83 -2.014 -4.314 5.585 1.00 12.42 C ATOM 0 H MET A 83 -7.232 -3.264 5.713 1.00 13.23 H new ATOM 0 HA MET A 83 -7.014 -1.412 7.949 1.00 51.41 H new ATOM 0 HB2 MET A 83 -4.560 -1.437 7.920 1.00 54.44 H new ATOM 0 HB3 MET A 83 -5.195 -2.990 8.425 1.00 54.44 H new ATOM 0 HG2 MET A 83 -4.845 -3.855 6.101 1.00 2.34 H new ATOM 0 HG3 MET A 83 -4.141 -2.313 5.656 1.00 2.34 H new ATOM 0 HE1 MET A 83 -1.145 -4.922 5.836 1.00 12.42 H new ATOM 0 HE2 MET A 83 -2.776 -4.943 5.125 1.00 12.42 H new ATOM 0 HE3 MET A 83 -1.719 -3.531 4.886 1.00 12.42 H new ATOM 1423 N ASP A 84 -6.011 0.326 6.285 1.00 3.53 N ATOM 1424 CA ASP A 84 -5.811 1.351 5.270 1.00 11.14 C ATOM 1425 C ASP A 84 -4.532 1.083 4.495 1.00 40.34 C ATOM 1426 O ASP A 84 -3.441 1.056 5.067 1.00 22.01 O ATOM 1427 CB ASP A 84 -5.746 2.743 5.903 1.00 73.14 C ATOM 1428 CG ASP A 84 -7.079 3.200 6.458 1.00 51.23 C ATOM 1429 OD1 ASP A 84 -7.382 2.892 7.632 1.00 2.54 O ATOM 1430 OD2 ASP A 84 -7.825 3.885 5.730 1.00 23.44 O ATOM 0 H ASP A 84 -5.833 0.638 7.240 1.00 3.53 H new ATOM 0 HA ASP A 84 -6.660 1.318 4.587 1.00 11.14 H new ATOM 0 HB2 ASP A 84 -5.007 2.738 6.704 1.00 73.14 H new ATOM 0 HB3 ASP A 84 -5.403 3.460 5.157 1.00 73.14 H new ATOM 1435 N PHE A 85 -4.667 0.869 3.197 1.00 33.42 N ATOM 1436 CA PHE A 85 -3.517 0.612 2.349 1.00 2.45 C ATOM 1437 C PHE A 85 -2.986 1.910 1.757 1.00 12.34 C ATOM 1438 O PHE A 85 -3.475 2.376 0.724 1.00 61.55 O ATOM 1439 CB PHE A 85 -3.882 -0.356 1.220 1.00 32.35 C ATOM 1440 CG PHE A 85 -4.398 -1.685 1.699 1.00 33.14 C ATOM 1441 CD1 PHE A 85 -3.528 -2.653 2.178 1.00 51.00 C ATOM 1442 CD2 PHE A 85 -5.756 -1.970 1.666 1.00 61.11 C ATOM 1443 CE1 PHE A 85 -4.002 -3.877 2.612 1.00 61.43 C ATOM 1444 CE2 PHE A 85 -6.233 -3.192 2.096 1.00 54.32 C ATOM 1445 CZ PHE A 85 -5.356 -4.146 2.570 1.00 74.31 C ATOM 0 H PHE A 85 -5.562 0.868 2.708 1.00 33.42 H new ATOM 0 HA PHE A 85 -2.741 0.159 2.966 1.00 2.45 H new ATOM 0 HB2 PHE A 85 -4.637 0.109 0.586 1.00 32.35 H new ATOM 0 HB3 PHE A 85 -3.002 -0.522 0.598 1.00 32.35 H new ATOM 0 HD1 PHE A 85 -2.468 -2.448 2.212 1.00 51.00 H new ATOM 0 HD2 PHE A 85 -6.448 -1.226 1.299 1.00 61.11 H new ATOM 0 HE1 PHE A 85 -3.314 -4.622 2.984 1.00 61.43 H new ATOM 0 HE2 PHE A 85 -7.292 -3.401 2.061 1.00 54.32 H new ATOM 0 HZ PHE A 85 -5.728 -5.102 2.908 1.00 74.31 H new ATOM 1455 N VAL A 86 -2.008 2.510 2.415 1.00 34.22 N ATOM 1456 CA VAL A 86 -1.393 3.721 1.900 1.00 33.52 C ATOM 1457 C VAL A 86 -0.297 3.359 0.901 1.00 43.34 C ATOM 1458 O VAL A 86 0.720 2.757 1.249 1.00 11.43 O ATOM 1459 CB VAL A 86 -0.846 4.635 3.028 1.00 43.22 C ATOM 1460 CG1 VAL A 86 0.076 3.878 3.967 1.00 10.13 C ATOM 1461 CG2 VAL A 86 -0.134 5.844 2.440 1.00 55.04 C ATOM 0 H VAL A 86 -1.625 2.181 3.301 1.00 34.22 H new ATOM 0 HA VAL A 86 -2.166 4.296 1.390 1.00 33.52 H new ATOM 0 HB VAL A 86 -1.699 4.981 3.612 1.00 43.22 H new ATOM 0 HG11 VAL A 86 0.438 4.552 4.743 1.00 10.13 H new ATOM 0 HG12 VAL A 86 -0.470 3.055 4.428 1.00 10.13 H new ATOM 0 HG13 VAL A 86 0.923 3.483 3.405 1.00 10.13 H new ATOM 0 HG21 VAL A 86 0.242 6.473 3.247 1.00 55.04 H new ATOM 0 HG22 VAL A 86 0.699 5.510 1.821 1.00 55.04 H new ATOM 0 HG23 VAL A 86 -0.833 6.416 1.830 1.00 55.04 H new ATOM 1471 N VAL A 87 -0.536 3.703 -0.353 1.00 72.35 N ATOM 1472 CA VAL A 87 0.375 3.360 -1.429 1.00 1.04 C ATOM 1473 C VAL A 87 1.233 4.559 -1.793 1.00 30.32 C ATOM 1474 O VAL A 87 0.722 5.572 -2.269 1.00 31.42 O ATOM 1475 CB VAL A 87 -0.383 2.890 -2.691 1.00 12.02 C ATOM 1476 CG1 VAL A 87 0.592 2.437 -3.770 1.00 62.13 C ATOM 1477 CG2 VAL A 87 -1.366 1.781 -2.346 1.00 43.11 C ATOM 0 H VAL A 87 -1.361 4.224 -0.651 1.00 72.35 H new ATOM 0 HA VAL A 87 1.002 2.543 -1.073 1.00 1.04 H new ATOM 0 HB VAL A 87 -0.950 3.735 -3.083 1.00 12.02 H new ATOM 0 HG11 VAL A 87 0.036 2.111 -4.649 1.00 62.13 H new ATOM 0 HG12 VAL A 87 1.245 3.266 -4.041 1.00 62.13 H new ATOM 0 HG13 VAL A 87 1.193 1.610 -3.393 1.00 62.13 H new ATOM 0 HG21 VAL A 87 -1.889 1.465 -3.248 1.00 43.11 H new ATOM 0 HG22 VAL A 87 -0.825 0.934 -1.924 1.00 43.11 H new ATOM 0 HG23 VAL A 87 -2.089 2.149 -1.618 1.00 43.11 H new ATOM 1487 N VAL A 88 2.526 4.447 -1.557 1.00 54.13 N ATOM 1488 CA VAL A 88 3.452 5.513 -1.890 1.00 3.22 C ATOM 1489 C VAL A 88 4.015 5.296 -3.286 1.00 42.11 C ATOM 1490 O VAL A 88 4.812 4.381 -3.512 1.00 13.31 O ATOM 1491 CB VAL A 88 4.611 5.605 -0.875 1.00 41.21 C ATOM 1492 CG1 VAL A 88 5.508 6.793 -1.187 1.00 24.44 C ATOM 1493 CG2 VAL A 88 4.073 5.702 0.546 1.00 42.24 C ATOM 0 H VAL A 88 2.960 3.626 -1.135 1.00 54.13 H new ATOM 0 HA VAL A 88 2.898 6.451 -1.855 1.00 3.22 H new ATOM 0 HB VAL A 88 5.207 4.696 -0.957 1.00 41.21 H new ATOM 0 HG11 VAL A 88 6.318 6.838 -0.459 1.00 24.44 H new ATOM 0 HG12 VAL A 88 5.925 6.681 -2.188 1.00 24.44 H new ATOM 0 HG13 VAL A 88 4.924 7.712 -1.138 1.00 24.44 H new ATOM 0 HG21 VAL A 88 4.906 5.766 1.247 1.00 42.24 H new ATOM 0 HG22 VAL A 88 3.451 6.592 0.640 1.00 42.24 H new ATOM 0 HG23 VAL A 88 3.477 4.817 0.771 1.00 42.24 H new ATOM 1503 N ALA A 89 3.580 6.122 -4.222 1.00 4.34 N ATOM 1504 CA ALA A 89 4.049 6.034 -5.593 1.00 51.35 C ATOM 1505 C ALA A 89 5.309 6.859 -5.769 1.00 40.13 C ATOM 1506 O ALA A 89 5.282 8.087 -5.643 1.00 43.01 O ATOM 1507 CB ALA A 89 2.968 6.498 -6.554 1.00 20.32 C ATOM 0 H ALA A 89 2.900 6.864 -4.056 1.00 4.34 H new ATOM 0 HA ALA A 89 4.282 4.993 -5.817 1.00 51.35 H new ATOM 0 HB1 ALA A 89 3.336 6.426 -7.578 1.00 20.32 H new ATOM 0 HB2 ALA A 89 2.085 5.869 -6.440 1.00 20.32 H new ATOM 0 HB3 ALA A 89 2.706 7.533 -6.335 1.00 20.32 H new ATOM 1513 N LYS A 90 6.412 6.184 -6.040 1.00 60.21 N ATOM 1514 CA LYS A 90 7.688 6.847 -6.220 1.00 12.03 C ATOM 1515 C LYS A 90 7.836 7.322 -7.663 1.00 0.21 C ATOM 1516 O LYS A 90 6.994 7.028 -8.518 1.00 22.11 O ATOM 1517 CB LYS A 90 8.835 5.895 -5.860 1.00 51.33 C ATOM 1518 CG LYS A 90 8.747 5.304 -4.455 1.00 24.14 C ATOM 1519 CD LYS A 90 9.408 6.186 -3.400 1.00 70.50 C ATOM 1520 CE LYS A 90 8.670 7.498 -3.186 1.00 3.42 C ATOM 1521 NZ LYS A 90 9.279 8.297 -2.092 1.00 41.43 N ATOM 0 H LYS A 90 6.447 5.170 -6.141 1.00 60.21 H new ATOM 0 HA LYS A 90 7.728 7.712 -5.558 1.00 12.03 H new ATOM 0 HB2 LYS A 90 8.855 5.080 -6.583 1.00 51.33 H new ATOM 0 HB3 LYS A 90 9.779 6.430 -5.957 1.00 51.33 H new ATOM 0 HG2 LYS A 90 7.699 5.155 -4.193 1.00 24.14 H new ATOM 0 HG3 LYS A 90 9.219 4.322 -4.449 1.00 24.14 H new ATOM 0 HD2 LYS A 90 9.456 5.643 -2.456 1.00 70.50 H new ATOM 0 HD3 LYS A 90 10.435 6.396 -3.699 1.00 70.50 H new ATOM 0 HE2 LYS A 90 8.681 8.077 -4.109 1.00 3.42 H new ATOM 0 HE3 LYS A 90 7.626 7.294 -2.950 1.00 3.42 H new ATOM 0 HZ1 LYS A 90 8.750 9.185 -1.974 1.00 41.43 H new ATOM 0 HZ2 LYS A 90 9.246 7.754 -1.206 1.00 41.43 H new ATOM 0 HZ3 LYS A 90 10.268 8.513 -2.329 1.00 41.43 H new ATOM 1535 N LYS A 91 8.897 8.070 -7.926 1.00 44.33 N ATOM 1536 CA LYS A 91 9.184 8.533 -9.274 1.00 24.33 C ATOM 1537 C LYS A 91 9.576 7.361 -10.171 1.00 32.53 C ATOM 1538 O LYS A 91 10.618 6.724 -9.979 1.00 60.12 O ATOM 1539 CB LYS A 91 10.285 9.602 -9.258 1.00 13.13 C ATOM 1540 CG LYS A 91 11.526 9.190 -8.487 1.00 14.42 C ATOM 1541 CD LYS A 91 12.627 10.230 -8.588 1.00 42.43 C ATOM 1542 CE LYS A 91 13.850 9.811 -7.792 1.00 31.43 C ATOM 1543 NZ LYS A 91 14.387 8.496 -8.235 1.00 44.03 N ATOM 0 H LYS A 91 9.573 8.369 -7.223 1.00 44.33 H new ATOM 0 HA LYS A 91 8.280 8.986 -9.681 1.00 24.33 H new ATOM 0 HB2 LYS A 91 10.567 9.836 -10.285 1.00 13.13 H new ATOM 0 HB3 LYS A 91 9.884 10.517 -8.822 1.00 13.13 H new ATOM 0 HG2 LYS A 91 11.268 9.035 -7.439 1.00 14.42 H new ATOM 0 HG3 LYS A 91 11.891 8.237 -8.869 1.00 14.42 H new ATOM 0 HD2 LYS A 91 12.901 10.373 -9.633 1.00 42.43 H new ATOM 0 HD3 LYS A 91 12.261 11.189 -8.220 1.00 42.43 H new ATOM 0 HE2 LYS A 91 14.625 10.571 -7.894 1.00 31.43 H new ATOM 0 HE3 LYS A 91 13.592 9.758 -6.734 1.00 31.43 H new ATOM 0 HZ1 LYS A 91 15.340 8.359 -7.841 1.00 44.03 H new ATOM 0 HZ2 LYS A 91 13.762 7.735 -7.901 1.00 44.03 H new ATOM 0 HZ3 LYS A 91 14.436 8.473 -9.274 1.00 44.03 H new ATOM 1557 N GLY A 92 8.723 7.075 -11.142 1.00 53.23 N ATOM 1558 CA GLY A 92 8.965 5.966 -12.034 1.00 72.33 C ATOM 1559 C GLY A 92 7.692 5.244 -12.415 1.00 65.32 C ATOM 1560 O GLY A 92 7.582 4.722 -13.522 1.00 32.44 O ATOM 0 H GLY A 92 7.865 7.594 -11.327 1.00 53.23 H new ATOM 0 HA2 GLY A 92 9.457 6.330 -12.936 1.00 72.33 H new ATOM 0 HA3 GLY A 92 9.649 5.264 -11.559 1.00 72.33 H new ATOM 1564 N VAL A 93 6.719 5.227 -11.508 1.00 4.32 N ATOM 1565 CA VAL A 93 5.458 4.522 -11.751 1.00 72.12 C ATOM 1566 C VAL A 93 4.717 5.090 -12.965 1.00 73.13 C ATOM 1567 O VAL A 93 4.012 4.365 -13.667 1.00 64.44 O ATOM 1568 CB VAL A 93 4.521 4.556 -10.520 1.00 31.55 C ATOM 1569 CG1 VAL A 93 5.164 3.854 -9.334 1.00 34.31 C ATOM 1570 CG2 VAL A 93 4.144 5.985 -10.153 1.00 4.53 C ATOM 0 H VAL A 93 6.776 5.690 -10.601 1.00 4.32 H new ATOM 0 HA VAL A 93 5.729 3.485 -11.951 1.00 72.12 H new ATOM 0 HB VAL A 93 3.607 4.024 -10.784 1.00 31.55 H new ATOM 0 HG11 VAL A 93 4.488 3.890 -8.480 1.00 34.31 H new ATOM 0 HG12 VAL A 93 5.367 2.815 -9.593 1.00 34.31 H new ATOM 0 HG13 VAL A 93 6.098 4.354 -9.078 1.00 34.31 H new ATOM 0 HG21 VAL A 93 3.485 5.976 -9.285 1.00 4.53 H new ATOM 0 HG22 VAL A 93 5.046 6.550 -9.918 1.00 4.53 H new ATOM 0 HG23 VAL A 93 3.631 6.453 -10.993 1.00 4.53 H new ATOM 1580 N ALA A 94 4.894 6.384 -13.217 1.00 10.05 N ATOM 1581 CA ALA A 94 4.242 7.037 -14.343 1.00 63.22 C ATOM 1582 C ALA A 94 5.125 6.986 -15.584 1.00 43.34 C ATOM 1583 O ALA A 94 4.722 7.415 -16.664 1.00 2.33 O ATOM 1584 CB ALA A 94 3.899 8.476 -13.990 1.00 34.33 C ATOM 0 H ALA A 94 5.483 6.999 -12.656 1.00 10.05 H new ATOM 0 HA ALA A 94 3.318 6.502 -14.563 1.00 63.22 H new ATOM 0 HB1 ALA A 94 3.412 8.953 -14.840 1.00 34.33 H new ATOM 0 HB2 ALA A 94 3.227 8.490 -13.132 1.00 34.33 H new ATOM 0 HB3 ALA A 94 4.812 9.018 -13.744 1.00 34.33 H new ATOM 1590 N ASP A 95 6.332 6.458 -15.424 1.00 3.41 N ATOM 1591 CA ASP A 95 7.271 6.332 -16.535 1.00 54.33 C ATOM 1592 C ASP A 95 7.238 4.922 -17.103 1.00 13.45 C ATOM 1593 O ASP A 95 7.483 4.713 -18.292 1.00 53.44 O ATOM 1594 CB ASP A 95 8.694 6.675 -16.082 1.00 64.21 C ATOM 1595 CG ASP A 95 9.727 6.413 -17.163 1.00 33.42 C ATOM 1596 OD1 ASP A 95 9.728 7.141 -18.181 1.00 72.54 O ATOM 1597 OD2 ASP A 95 10.546 5.483 -17.001 1.00 10.21 O ATOM 0 H ASP A 95 6.686 6.109 -14.533 1.00 3.41 H new ATOM 0 HA ASP A 95 6.971 7.035 -17.312 1.00 54.33 H new ATOM 0 HB2 ASP A 95 8.736 7.724 -15.790 1.00 64.21 H new ATOM 0 HB3 ASP A 95 8.942 6.088 -15.197 1.00 64.21 H new ATOM 1602 N LEU A 96 6.925 3.961 -16.240 1.00 65.43 N ATOM 1603 CA LEU A 96 6.864 2.556 -16.626 1.00 14.55 C ATOM 1604 C LEU A 96 5.943 2.346 -17.821 1.00 74.21 C ATOM 1605 O LEU A 96 4.857 2.926 -17.899 1.00 20.40 O ATOM 1606 CB LEU A 96 6.384 1.700 -15.451 1.00 72.42 C ATOM 1607 CG LEU A 96 7.304 1.689 -14.228 1.00 0.33 C ATOM 1608 CD1 LEU A 96 6.685 0.879 -13.101 1.00 25.42 C ATOM 1609 CD2 LEU A 96 8.672 1.132 -14.593 1.00 11.25 C ATOM 0 H LEU A 96 6.708 4.133 -15.258 1.00 65.43 H new ATOM 0 HA LEU A 96 7.871 2.250 -16.911 1.00 14.55 H new ATOM 0 HB2 LEU A 96 5.401 2.056 -15.142 1.00 72.42 H new ATOM 0 HB3 LEU A 96 6.257 0.675 -15.798 1.00 72.42 H new ATOM 0 HG LEU A 96 7.430 2.716 -13.886 1.00 0.33 H new ATOM 0 HD11 LEU A 96 7.354 0.883 -12.240 1.00 25.42 H new ATOM 0 HD12 LEU A 96 5.728 1.319 -12.819 1.00 25.42 H new ATOM 0 HD13 LEU A 96 6.528 -0.147 -13.434 1.00 25.42 H new ATOM 0 HD21 LEU A 96 9.312 1.132 -13.711 1.00 11.25 H new ATOM 0 HD22 LEU A 96 8.563 0.112 -14.962 1.00 11.25 H new ATOM 0 HD23 LEU A 96 9.122 1.752 -15.368 1.00 11.25 H new ATOM 1621 N ASP A 97 6.389 1.517 -18.751 1.00 2.54 N ATOM 1622 CA ASP A 97 5.612 1.203 -19.941 1.00 15.41 C ATOM 1623 C ASP A 97 4.483 0.228 -19.597 1.00 61.50 C ATOM 1624 O ASP A 97 4.458 -0.335 -18.500 1.00 61.42 O ATOM 1625 CB ASP A 97 6.531 0.602 -21.013 1.00 22.11 C ATOM 1626 CG ASP A 97 5.813 0.327 -22.317 1.00 74.44 C ATOM 1627 OD1 ASP A 97 5.668 1.265 -23.131 1.00 73.53 O ATOM 1628 OD2 ASP A 97 5.380 -0.821 -22.529 1.00 52.44 O ATOM 0 H ASP A 97 7.292 1.046 -18.704 1.00 2.54 H new ATOM 0 HA ASP A 97 5.166 2.119 -20.328 1.00 15.41 H new ATOM 0 HB2 ASP A 97 7.360 1.285 -21.198 1.00 22.11 H new ATOM 0 HB3 ASP A 97 6.960 -0.327 -20.637 1.00 22.11 H new ATOM 1633 N ASN A 98 3.560 0.032 -20.535 1.00 31.51 N ATOM 1634 CA ASN A 98 2.444 -0.896 -20.356 1.00 43.31 C ATOM 1635 C ASN A 98 2.952 -2.300 -20.021 1.00 13.44 C ATOM 1636 O ASN A 98 2.395 -2.983 -19.163 1.00 15.43 O ATOM 1637 CB ASN A 98 1.584 -0.934 -21.628 1.00 64.25 C ATOM 1638 CG ASN A 98 0.347 -1.805 -21.488 1.00 25.12 C ATOM 1639 OD1 ASN A 98 -0.701 -1.346 -21.033 1.00 25.40 O ATOM 1640 ND2 ASN A 98 0.450 -3.062 -21.898 1.00 21.41 N ATOM 0 H ASN A 98 3.563 0.509 -21.437 1.00 31.51 H new ATOM 0 HA ASN A 98 1.835 -0.546 -19.523 1.00 43.31 H new ATOM 0 HB2 ASN A 98 1.279 0.081 -21.883 1.00 64.25 H new ATOM 0 HB3 ASN A 98 2.188 -1.303 -22.457 1.00 64.25 H new ATOM 0 HD21 ASN A 98 -0.356 -3.684 -21.842 1.00 21.41 H new ATOM 0 HD22 ASN A 98 1.335 -3.406 -22.269 1.00 21.41 H new ATOM 1647 N ARG A 99 4.026 -2.719 -20.686 1.00 34.34 N ATOM 1648 CA ARG A 99 4.607 -4.035 -20.430 1.00 3.21 C ATOM 1649 C ARG A 99 5.382 -4.036 -19.116 1.00 4.20 C ATOM 1650 O ARG A 99 5.445 -5.049 -18.420 1.00 4.43 O ATOM 1651 CB ARG A 99 5.518 -4.471 -21.586 1.00 42.11 C ATOM 1652 CG ARG A 99 6.681 -3.530 -21.863 1.00 24.53 C ATOM 1653 CD ARG A 99 7.507 -4.001 -23.048 1.00 21.02 C ATOM 1654 NE ARG A 99 8.504 -3.008 -23.447 1.00 2.40 N ATOM 1655 CZ ARG A 99 9.109 -2.995 -24.635 1.00 21.41 C ATOM 1656 NH1 ARG A 99 8.900 -3.974 -25.508 1.00 65.43 N ATOM 1657 NH2 ARG A 99 9.944 -2.015 -24.943 1.00 11.25 N ATOM 0 H ARG A 99 4.508 -2.173 -21.400 1.00 34.34 H new ATOM 0 HA ARG A 99 3.789 -4.751 -20.352 1.00 3.21 H new ATOM 0 HB2 ARG A 99 5.914 -5.462 -21.366 1.00 42.11 H new ATOM 0 HB3 ARG A 99 4.917 -4.562 -22.491 1.00 42.11 H new ATOM 0 HG2 ARG A 99 6.301 -2.527 -22.059 1.00 24.53 H new ATOM 0 HG3 ARG A 99 7.315 -3.464 -20.979 1.00 24.53 H new ATOM 0 HD2 ARG A 99 8.007 -4.935 -22.793 1.00 21.02 H new ATOM 0 HD3 ARG A 99 6.847 -4.212 -23.890 1.00 21.02 H new ATOM 0 HE ARG A 99 8.751 -2.281 -22.775 1.00 2.40 H new ATOM 0 HH11 ARG A 99 8.273 -4.743 -25.272 1.00 65.43 H new ATOM 0 HH12 ARG A 99 9.367 -3.957 -26.415 1.00 65.43 H new ATOM 0 HH21 ARG A 99 10.125 -1.269 -24.271 1.00 11.25 H new ATOM 0 HH22 ARG A 99 10.406 -2.006 -25.852 1.00 11.25 H new ATOM 1671 N ALA A 100 5.935 -2.881 -18.767 1.00 62.42 N ATOM 1672 CA ALA A 100 6.740 -2.749 -17.561 1.00 10.32 C ATOM 1673 C ALA A 100 5.871 -2.851 -16.313 1.00 72.13 C ATOM 1674 O ALA A 100 6.262 -3.472 -15.326 1.00 42.34 O ATOM 1675 CB ALA A 100 7.502 -1.434 -17.571 1.00 15.11 C ATOM 0 H ALA A 100 5.840 -2.020 -19.305 1.00 62.42 H new ATOM 0 HA ALA A 100 7.459 -3.568 -17.542 1.00 10.32 H new ATOM 0 HB1 ALA A 100 8.098 -1.352 -16.662 1.00 15.11 H new ATOM 0 HB2 ALA A 100 8.159 -1.401 -18.440 1.00 15.11 H new ATOM 0 HB3 ALA A 100 6.796 -0.605 -17.618 1.00 15.11 H new ATOM 1681 N LEU A 101 4.685 -2.248 -16.364 1.00 20.13 N ATOM 1682 CA LEU A 101 3.766 -2.298 -15.235 1.00 43.31 C ATOM 1683 C LEU A 101 3.148 -3.686 -15.114 1.00 33.41 C ATOM 1684 O LEU A 101 2.762 -4.109 -14.028 1.00 21.52 O ATOM 1685 CB LEU A 101 2.682 -1.209 -15.352 1.00 43.31 C ATOM 1686 CG LEU A 101 1.768 -1.275 -16.586 1.00 61.12 C ATOM 1687 CD1 LEU A 101 0.594 -2.221 -16.362 1.00 62.34 C ATOM 1688 CD2 LEU A 101 1.263 0.113 -16.944 1.00 31.34 C ATOM 0 H LEU A 101 4.342 -1.724 -17.169 1.00 20.13 H new ATOM 0 HA LEU A 101 4.330 -2.098 -14.324 1.00 43.31 H new ATOM 0 HB2 LEU A 101 2.055 -1.256 -14.461 1.00 43.31 H new ATOM 0 HB3 LEU A 101 3.174 -0.237 -15.345 1.00 43.31 H new ATOM 0 HG LEU A 101 2.358 -1.665 -17.416 1.00 61.12 H new ATOM 0 HD11 LEU A 101 -0.031 -2.243 -17.255 1.00 62.34 H new ATOM 0 HD12 LEU A 101 0.969 -3.224 -16.157 1.00 62.34 H new ATOM 0 HD13 LEU A 101 0.004 -1.874 -15.514 1.00 62.34 H new ATOM 0 HD21 LEU A 101 0.617 0.050 -17.820 1.00 31.34 H new ATOM 0 HD22 LEU A 101 0.699 0.522 -16.106 1.00 31.34 H new ATOM 0 HD23 LEU A 101 2.110 0.763 -17.164 1.00 31.34 H new ATOM 1700 N SER A 102 3.074 -4.399 -16.232 1.00 41.44 N ATOM 1701 CA SER A 102 2.554 -5.757 -16.227 1.00 25.42 C ATOM 1702 C SER A 102 3.525 -6.677 -15.490 1.00 25.22 C ATOM 1703 O SER A 102 3.114 -7.559 -14.733 1.00 53.10 O ATOM 1704 CB SER A 102 2.327 -6.246 -17.661 1.00 62.31 C ATOM 1705 OG SER A 102 1.623 -7.476 -17.679 1.00 2.23 O ATOM 0 H SER A 102 3.366 -4.060 -17.148 1.00 41.44 H new ATOM 0 HA SER A 102 1.595 -5.771 -15.709 1.00 25.42 H new ATOM 0 HB2 SER A 102 1.767 -5.496 -18.219 1.00 62.31 H new ATOM 0 HB3 SER A 102 3.287 -6.366 -18.163 1.00 62.31 H new ATOM 0 HG SER A 102 1.491 -7.764 -18.606 1.00 2.23 H new ATOM 1711 N GLU A 103 4.819 -6.430 -15.684 1.00 4.01 N ATOM 1712 CA GLU A 103 5.861 -7.184 -14.999 1.00 65.32 C ATOM 1713 C GLU A 103 6.063 -6.668 -13.580 1.00 73.50 C ATOM 1714 O GLU A 103 6.998 -7.068 -12.889 1.00 34.40 O ATOM 1715 CB GLU A 103 7.180 -7.102 -15.768 1.00 74.44 C ATOM 1716 CG GLU A 103 7.189 -7.900 -17.058 1.00 33.13 C ATOM 1717 CD GLU A 103 6.951 -9.379 -16.824 1.00 70.21 C ATOM 1718 OE1 GLU A 103 7.726 -9.998 -16.061 1.00 1.43 O ATOM 1719 OE2 GLU A 103 6.003 -9.935 -17.412 1.00 14.10 O ATOM 0 H GLU A 103 5.170 -5.709 -16.314 1.00 4.01 H new ATOM 0 HA GLU A 103 5.540 -8.225 -14.952 1.00 65.32 H new ATOM 0 HB2 GLU A 103 7.392 -6.058 -15.997 1.00 74.44 H new ATOM 0 HB3 GLU A 103 7.986 -7.458 -15.126 1.00 74.44 H new ATOM 0 HG2 GLU A 103 6.421 -7.513 -17.727 1.00 33.13 H new ATOM 0 HG3 GLU A 103 8.147 -7.764 -17.560 1.00 33.13 H new ATOM 1726 N ALA A 104 5.191 -5.764 -13.159 1.00 53.22 N ATOM 1727 CA ALA A 104 5.229 -5.236 -11.807 1.00 64.54 C ATOM 1728 C ALA A 104 3.975 -5.639 -11.044 1.00 44.20 C ATOM 1729 O ALA A 104 4.032 -5.911 -9.849 1.00 50.34 O ATOM 1730 CB ALA A 104 5.376 -3.723 -11.828 1.00 1.42 C ATOM 0 H ALA A 104 4.445 -5.380 -13.739 1.00 53.22 H new ATOM 0 HA ALA A 104 6.095 -5.658 -11.297 1.00 64.54 H new ATOM 0 HB1 ALA A 104 5.403 -3.346 -10.806 1.00 1.42 H new ATOM 0 HB2 ALA A 104 6.301 -3.454 -12.338 1.00 1.42 H new ATOM 0 HB3 ALA A 104 4.530 -3.283 -12.355 1.00 1.42 H new ATOM 1736 N LEU A 105 2.854 -5.693 -11.757 1.00 4.23 N ATOM 1737 CA LEU A 105 1.557 -6.023 -11.168 1.00 64.02 C ATOM 1738 C LEU A 105 1.609 -7.347 -10.406 1.00 11.12 C ATOM 1739 O LEU A 105 1.123 -7.441 -9.277 1.00 40.04 O ATOM 1740 CB LEU A 105 0.488 -6.067 -12.280 1.00 20.40 C ATOM 1741 CG LEU A 105 -0.975 -6.270 -11.841 1.00 52.53 C ATOM 1742 CD1 LEU A 105 -1.282 -7.737 -11.578 1.00 22.34 C ATOM 1743 CD2 LEU A 105 -1.294 -5.431 -10.609 1.00 32.03 C ATOM 0 H LEU A 105 2.817 -5.509 -12.760 1.00 4.23 H new ATOM 0 HA LEU A 105 1.293 -5.250 -10.446 1.00 64.02 H new ATOM 0 HB2 LEU A 105 0.546 -5.135 -12.842 1.00 20.40 H new ATOM 0 HB3 LEU A 105 0.749 -6.871 -12.968 1.00 20.40 H new ATOM 0 HG LEU A 105 -1.610 -5.937 -12.662 1.00 52.53 H new ATOM 0 HD11 LEU A 105 -2.322 -7.842 -11.271 1.00 22.34 H new ATOM 0 HD12 LEU A 105 -1.113 -8.313 -12.488 1.00 22.34 H new ATOM 0 HD13 LEU A 105 -0.631 -8.109 -10.787 1.00 22.34 H new ATOM 0 HD21 LEU A 105 -2.332 -5.591 -10.318 1.00 32.03 H new ATOM 0 HD22 LEU A 105 -0.638 -5.724 -9.789 1.00 32.03 H new ATOM 0 HD23 LEU A 105 -1.140 -4.376 -10.837 1.00 32.03 H new ATOM 1755 N GLU A 106 2.217 -8.362 -11.007 1.00 12.11 N ATOM 1756 CA GLU A 106 2.239 -9.686 -10.402 1.00 3.00 C ATOM 1757 C GLU A 106 3.173 -9.723 -9.193 1.00 54.44 C ATOM 1758 O GLU A 106 3.089 -10.630 -8.364 1.00 42.35 O ATOM 1759 CB GLU A 106 2.626 -10.757 -11.431 1.00 2.15 C ATOM 1760 CG GLU A 106 4.066 -10.684 -11.921 1.00 51.31 C ATOM 1761 CD GLU A 106 4.914 -11.832 -11.404 1.00 2.41 C ATOM 1762 OE1 GLU A 106 5.514 -11.695 -10.319 1.00 34.22 O ATOM 1763 OE2 GLU A 106 4.981 -12.881 -12.076 1.00 55.13 O ATOM 0 H GLU A 106 2.697 -8.295 -11.904 1.00 12.11 H new ATOM 0 HA GLU A 106 1.231 -9.909 -10.052 1.00 3.00 H new ATOM 0 HB2 GLU A 106 2.456 -11.740 -10.992 1.00 2.15 H new ATOM 0 HB3 GLU A 106 1.960 -10.672 -12.290 1.00 2.15 H new ATOM 0 HG2 GLU A 106 4.076 -10.691 -13.011 1.00 51.31 H new ATOM 0 HG3 GLU A 106 4.507 -9.739 -11.604 1.00 51.31 H new ATOM 1770 N LYS A 107 4.042 -8.720 -9.073 1.00 14.44 N ATOM 1771 CA LYS A 107 4.976 -8.670 -7.954 1.00 53.13 C ATOM 1772 C LYS A 107 4.226 -8.280 -6.685 1.00 23.43 C ATOM 1773 O LYS A 107 4.535 -8.764 -5.594 1.00 63.14 O ATOM 1774 CB LYS A 107 6.128 -7.674 -8.191 1.00 34.44 C ATOM 1775 CG LYS A 107 6.630 -7.578 -9.629 1.00 71.23 C ATOM 1776 CD LYS A 107 6.864 -8.934 -10.275 1.00 20.01 C ATOM 1777 CE LYS A 107 7.972 -9.724 -9.605 1.00 22.00 C ATOM 1778 NZ LYS A 107 8.119 -11.063 -10.228 1.00 45.22 N ATOM 0 H LYS A 107 4.117 -7.942 -9.728 1.00 14.44 H new ATOM 0 HA LYS A 107 5.416 -9.662 -7.852 1.00 53.13 H new ATOM 0 HB2 LYS A 107 5.800 -6.684 -7.872 1.00 34.44 H new ATOM 0 HB3 LYS A 107 6.964 -7.954 -7.551 1.00 34.44 H new ATOM 0 HG2 LYS A 107 5.906 -7.020 -10.223 1.00 71.23 H new ATOM 0 HG3 LYS A 107 7.560 -7.010 -9.645 1.00 71.23 H new ATOM 0 HD2 LYS A 107 5.940 -9.512 -10.240 1.00 20.01 H new ATOM 0 HD3 LYS A 107 7.111 -8.792 -11.327 1.00 20.01 H new ATOM 0 HE2 LYS A 107 8.912 -9.177 -9.682 1.00 22.00 H new ATOM 0 HE3 LYS A 107 7.754 -9.835 -8.543 1.00 22.00 H new ATOM 0 HZ1 LYS A 107 8.412 -11.752 -9.506 1.00 45.22 H new ATOM 0 HZ2 LYS A 107 7.209 -11.357 -10.638 1.00 45.22 H new ATOM 0 HZ3 LYS A 107 8.838 -11.020 -10.978 1.00 45.22 H new ATOM 1792 N LEU A 108 3.224 -7.413 -6.840 1.00 20.41 N ATOM 1793 CA LEU A 108 2.406 -6.987 -5.709 1.00 64.01 C ATOM 1794 C LEU A 108 1.662 -8.173 -5.123 1.00 1.42 C ATOM 1795 O LEU A 108 1.561 -8.312 -3.907 1.00 42.42 O ATOM 1796 CB LEU A 108 1.383 -5.906 -6.107 1.00 25.33 C ATOM 1797 CG LEU A 108 1.945 -4.523 -6.470 1.00 63.13 C ATOM 1798 CD1 LEU A 108 3.144 -4.175 -5.606 1.00 51.42 C ATOM 1799 CD2 LEU A 108 2.298 -4.441 -7.944 1.00 44.41 C ATOM 0 H LEU A 108 2.962 -6.996 -7.733 1.00 20.41 H new ATOM 0 HA LEU A 108 3.085 -6.562 -4.969 1.00 64.01 H new ATOM 0 HB2 LEU A 108 0.812 -6.275 -6.959 1.00 25.33 H new ATOM 0 HB3 LEU A 108 0.681 -5.782 -5.282 1.00 25.33 H new ATOM 0 HG LEU A 108 1.164 -3.789 -6.273 1.00 63.13 H new ATOM 0 HD11 LEU A 108 3.520 -3.191 -5.885 1.00 51.42 H new ATOM 0 HD12 LEU A 108 2.846 -4.165 -4.557 1.00 51.42 H new ATOM 0 HD13 LEU A 108 3.927 -4.919 -5.754 1.00 51.42 H new ATOM 0 HD21 LEU A 108 2.693 -3.450 -8.169 1.00 44.41 H new ATOM 0 HD22 LEU A 108 3.050 -5.194 -8.180 1.00 44.41 H new ATOM 0 HD23 LEU A 108 1.405 -4.620 -8.543 1.00 44.41 H new ATOM 1811 N TRP A 109 1.156 -9.029 -5.999 1.00 53.10 N ATOM 1812 CA TRP A 109 0.338 -10.163 -5.583 1.00 3.35 C ATOM 1813 C TRP A 109 1.146 -11.204 -4.823 1.00 14.45 C ATOM 1814 O TRP A 109 0.635 -11.822 -3.890 1.00 4.40 O ATOM 1815 CB TRP A 109 -0.358 -10.801 -6.785 1.00 23.23 C ATOM 1816 CG TRP A 109 -1.491 -9.973 -7.311 1.00 21.21 C ATOM 1817 CD1 TRP A 109 -1.975 -8.818 -6.769 1.00 42.13 C ATOM 1818 CD2 TRP A 109 -2.287 -10.238 -8.469 1.00 74.35 C ATOM 1819 NE1 TRP A 109 -3.023 -8.349 -7.518 1.00 45.44 N ATOM 1820 CE2 TRP A 109 -3.234 -9.199 -8.568 1.00 3.11 C ATOM 1821 CE3 TRP A 109 -2.294 -11.249 -9.434 1.00 62.32 C ATOM 1822 CZ2 TRP A 109 -4.175 -9.144 -9.590 1.00 42.23 C ATOM 1823 CZ3 TRP A 109 -3.229 -11.191 -10.449 1.00 74.21 C ATOM 1824 CH2 TRP A 109 -4.159 -10.145 -10.521 1.00 1.32 C ATOM 0 H TRP A 109 1.297 -8.961 -7.007 1.00 53.10 H new ATOM 0 HA TRP A 109 -0.420 -9.777 -4.902 1.00 3.35 H new ATOM 0 HB2 TRP A 109 0.371 -10.957 -7.580 1.00 23.23 H new ATOM 0 HB3 TRP A 109 -0.734 -11.784 -6.501 1.00 23.23 H new ATOM 0 HD1 TRP A 109 -1.589 -8.343 -5.880 1.00 42.13 H new ATOM 0 HE1 TRP A 109 -3.559 -7.503 -7.324 1.00 45.44 H new ATOM 0 HE3 TRP A 109 -1.582 -12.060 -9.387 1.00 62.32 H new ATOM 0 HZ2 TRP A 109 -4.893 -8.339 -9.646 1.00 42.23 H new ATOM 0 HZ3 TRP A 109 -3.244 -11.966 -11.201 1.00 74.21 H new ATOM 0 HH2 TRP A 109 -4.877 -10.129 -11.328 1.00 1.32 H new ATOM 1835 N ARG A 110 2.403 -11.392 -5.204 1.00 4.55 N ATOM 1836 CA ARG A 110 3.254 -12.351 -4.511 1.00 3.42 C ATOM 1837 C ARG A 110 3.510 -11.892 -3.081 1.00 65.31 C ATOM 1838 O ARG A 110 3.456 -12.689 -2.144 1.00 4.41 O ATOM 1839 CB ARG A 110 4.575 -12.557 -5.253 1.00 43.12 C ATOM 1840 CG ARG A 110 4.393 -13.041 -6.680 1.00 72.03 C ATOM 1841 CD ARG A 110 5.699 -13.529 -7.281 1.00 52.54 C ATOM 1842 NE ARG A 110 5.581 -13.765 -8.716 1.00 52.04 N ATOM 1843 CZ ARG A 110 5.697 -14.958 -9.299 1.00 32.12 C ATOM 1844 NH1 ARG A 110 5.848 -16.056 -8.567 1.00 1.54 N ATOM 1845 NH2 ARG A 110 5.634 -15.052 -10.618 1.00 32.05 N ATOM 0 H ARG A 110 2.851 -10.901 -5.978 1.00 4.55 H new ATOM 0 HA ARG A 110 2.734 -13.308 -4.485 1.00 3.42 H new ATOM 0 HB2 ARG A 110 5.128 -11.618 -5.263 1.00 43.12 H new ATOM 0 HB3 ARG A 110 5.182 -13.279 -4.706 1.00 43.12 H new ATOM 0 HG2 ARG A 110 3.660 -13.848 -6.699 1.00 72.03 H new ATOM 0 HG3 ARG A 110 3.992 -12.231 -7.290 1.00 72.03 H new ATOM 0 HD2 ARG A 110 6.481 -12.793 -7.097 1.00 52.54 H new ATOM 0 HD3 ARG A 110 6.005 -14.450 -6.785 1.00 52.54 H new ATOM 0 HE ARG A 110 5.397 -12.960 -9.315 1.00 52.04 H new ATOM 0 HH11 ARG A 110 5.876 -15.991 -7.549 1.00 1.54 H new ATOM 0 HH12 ARG A 110 5.936 -16.964 -9.022 1.00 1.54 H new ATOM 0 HH21 ARG A 110 5.497 -14.214 -11.183 1.00 32.05 H new ATOM 0 HH22 ARG A 110 5.722 -15.963 -11.069 1.00 32.05 H new ATOM 1859 N ARG A 111 3.765 -10.599 -2.912 1.00 74.24 N ATOM 1860 CA ARG A 111 3.931 -10.028 -1.582 1.00 45.21 C ATOM 1861 C ARG A 111 2.587 -10.018 -0.854 1.00 43.20 C ATOM 1862 O ARG A 111 2.513 -10.288 0.341 1.00 74.14 O ATOM 1863 CB ARG A 111 4.484 -8.603 -1.670 1.00 23.23 C ATOM 1864 CG ARG A 111 4.755 -7.973 -0.313 1.00 15.43 C ATOM 1865 CD ARG A 111 5.979 -8.578 0.355 1.00 13.14 C ATOM 1866 NE ARG A 111 7.224 -8.120 -0.264 1.00 1.22 N ATOM 1867 CZ ARG A 111 8.441 -8.433 0.188 1.00 61.45 C ATOM 1868 NH1 ARG A 111 8.580 -9.284 1.201 1.00 34.15 N ATOM 1869 NH2 ARG A 111 9.516 -7.909 -0.387 1.00 22.51 N ATOM 0 H ARG A 111 3.861 -9.930 -3.676 1.00 74.24 H new ATOM 0 HA ARG A 111 4.641 -10.641 -1.027 1.00 45.21 H new ATOM 0 HB2 ARG A 111 5.409 -8.616 -2.247 1.00 23.23 H new ATOM 0 HB3 ARG A 111 3.776 -7.980 -2.216 1.00 23.23 H new ATOM 0 HG2 ARG A 111 4.900 -6.899 -0.433 1.00 15.43 H new ATOM 0 HG3 ARG A 111 3.886 -8.108 0.331 1.00 15.43 H new ATOM 0 HD2 ARG A 111 5.982 -8.315 1.413 1.00 13.14 H new ATOM 0 HD3 ARG A 111 5.924 -9.665 0.297 1.00 13.14 H new ATOM 0 HE ARG A 111 7.158 -7.526 -1.090 1.00 1.22 H new ATOM 0 HH11 ARG A 111 7.756 -9.700 1.635 1.00 34.15 H new ATOM 0 HH12 ARG A 111 9.511 -9.521 1.544 1.00 34.15 H new ATOM 0 HH21 ARG A 111 9.412 -7.268 -1.173 1.00 22.51 H new ATOM 0 HH22 ARG A 111 10.446 -8.147 -0.043 1.00 22.51 H new ATOM 1883 N HIS A 112 1.535 -9.710 -1.602 1.00 74.41 N ATOM 1884 CA HIS A 112 0.169 -9.658 -1.084 1.00 70.24 C ATOM 1885 C HIS A 112 -0.212 -10.973 -0.409 1.00 34.13 C ATOM 1886 O HIS A 112 -0.752 -10.980 0.695 1.00 31.42 O ATOM 1887 CB HIS A 112 -0.788 -9.363 -2.247 1.00 61.24 C ATOM 1888 CG HIS A 112 -2.217 -9.104 -1.869 1.00 31.32 C ATOM 1889 ND1 HIS A 112 -2.734 -7.832 -1.727 1.00 53.43 N ATOM 1890 CD2 HIS A 112 -3.255 -9.953 -1.675 1.00 54.10 C ATOM 1891 CE1 HIS A 112 -4.025 -7.911 -1.460 1.00 40.24 C ATOM 1892 NE2 HIS A 112 -4.367 -9.183 -1.424 1.00 1.45 N ATOM 0 H HIS A 112 1.604 -9.487 -2.595 1.00 74.41 H new ATOM 0 HA HIS A 112 0.100 -8.869 -0.335 1.00 70.24 H new ATOM 0 HB2 HIS A 112 -0.413 -8.495 -2.790 1.00 61.24 H new ATOM 0 HB3 HIS A 112 -0.762 -10.207 -2.937 1.00 61.24 H new ATOM 0 HD2 HIS A 112 -3.217 -11.032 -1.711 1.00 54.10 H new ATOM 0 HE1 HIS A 112 -4.688 -7.074 -1.298 1.00 40.24 H new ATOM 0 HE2 HIS A 112 -5.305 -9.539 -1.240 1.00 1.45 H new ATOM 1901 N CYS A 113 0.091 -12.080 -1.076 1.00 63.45 N ATOM 1902 CA CYS A 113 -0.302 -13.397 -0.598 1.00 24.34 C ATOM 1903 C CYS A 113 0.538 -13.824 0.612 1.00 53.13 C ATOM 1904 O CYS A 113 0.102 -14.640 1.426 1.00 34.25 O ATOM 1905 CB CYS A 113 -0.156 -14.416 -1.730 1.00 35.43 C ATOM 1906 SG CYS A 113 -1.086 -15.943 -1.480 1.00 14.45 S ATOM 0 H CYS A 113 0.610 -12.090 -1.954 1.00 63.45 H new ATOM 0 HA CYS A 113 -1.343 -13.352 -0.279 1.00 24.34 H new ATOM 0 HB2 CYS A 113 -0.481 -13.955 -2.662 1.00 35.43 H new ATOM 0 HB3 CYS A 113 0.899 -14.662 -1.848 1.00 35.43 H new ATOM 0 HG CYS A 113 -2.318 -15.767 -1.856 1.00 14.45 H new ATOM 1912 N ARG A 114 1.741 -13.269 0.727 1.00 22.11 N ATOM 1913 CA ARG A 114 2.634 -13.603 1.832 1.00 40.42 C ATOM 1914 C ARG A 114 2.396 -12.703 3.042 1.00 4.41 C ATOM 1915 O ARG A 114 2.445 -13.158 4.184 1.00 20.24 O ATOM 1916 CB ARG A 114 4.098 -13.496 1.393 1.00 52.41 C ATOM 1917 CG ARG A 114 4.625 -14.717 0.657 1.00 41.24 C ATOM 1918 CD ARG A 114 4.581 -15.957 1.536 1.00 20.15 C ATOM 1919 NE ARG A 114 5.523 -16.984 1.089 1.00 32.32 N ATOM 1920 CZ ARG A 114 5.642 -18.184 1.660 1.00 23.44 C ATOM 1921 NH1 ARG A 114 4.796 -18.562 2.609 1.00 13.00 N ATOM 1922 NH2 ARG A 114 6.593 -19.013 1.261 1.00 45.03 N ATOM 0 H ARG A 114 2.120 -12.587 0.070 1.00 22.11 H new ATOM 0 HA ARG A 114 2.417 -14.631 2.123 1.00 40.42 H new ATOM 0 HB2 ARG A 114 4.208 -12.623 0.749 1.00 52.41 H new ATOM 0 HB3 ARG A 114 4.717 -13.323 2.274 1.00 52.41 H new ATOM 0 HG2 ARG A 114 4.032 -14.885 -0.242 1.00 41.24 H new ATOM 0 HG3 ARG A 114 5.650 -14.535 0.334 1.00 41.24 H new ATOM 0 HD2 ARG A 114 4.810 -15.679 2.565 1.00 20.15 H new ATOM 0 HD3 ARG A 114 3.571 -16.367 1.533 1.00 20.15 H new ATOM 0 HE ARG A 114 6.124 -16.770 0.294 1.00 32.32 H new ATOM 0 HH11 ARG A 114 4.049 -17.934 2.906 1.00 13.00 H new ATOM 0 HH12 ARG A 114 4.892 -19.481 3.042 1.00 13.00 H new ATOM 0 HH21 ARG A 114 7.234 -18.734 0.518 1.00 45.03 H new ATOM 0 HH22 ARG A 114 6.685 -19.931 1.697 1.00 45.03 H new ATOM 1936 N LEU A 115 2.135 -11.428 2.784 1.00 0.32 N ATOM 1937 CA LEU A 115 2.000 -10.436 3.846 1.00 34.43 C ATOM 1938 C LEU A 115 0.778 -10.704 4.717 1.00 3.34 C ATOM 1939 O LEU A 115 0.851 -10.629 5.942 1.00 2.44 O ATOM 1940 CB LEU A 115 1.904 -9.030 3.244 1.00 15.22 C ATOM 1941 CG LEU A 115 1.836 -7.887 4.260 1.00 30.44 C ATOM 1942 CD1 LEU A 115 3.140 -7.779 5.037 1.00 74.31 C ATOM 1943 CD2 LEU A 115 1.517 -6.573 3.566 1.00 53.34 C ATOM 0 H LEU A 115 2.012 -11.054 1.843 1.00 0.32 H new ATOM 0 HA LEU A 115 2.886 -10.507 4.477 1.00 34.43 H new ATOM 0 HB2 LEU A 115 2.767 -8.869 2.598 1.00 15.22 H new ATOM 0 HB3 LEU A 115 1.019 -8.984 2.610 1.00 15.22 H new ATOM 0 HG LEU A 115 1.035 -8.106 4.966 1.00 30.44 H new ATOM 0 HD11 LEU A 115 3.070 -6.960 5.753 1.00 74.31 H new ATOM 0 HD12 LEU A 115 3.325 -8.712 5.569 1.00 74.31 H new ATOM 0 HD13 LEU A 115 3.961 -7.587 4.346 1.00 74.31 H new ATOM 0 HD21 LEU A 115 1.473 -5.773 4.305 1.00 53.34 H new ATOM 0 HD22 LEU A 115 2.294 -6.350 2.835 1.00 53.34 H new ATOM 0 HD23 LEU A 115 0.555 -6.653 3.060 1.00 53.34 H new ATOM 1955 N ALA A 116 -0.338 -11.030 4.082 1.00 12.54 N ATOM 1956 CA ALA A 116 -1.597 -11.186 4.798 1.00 73.45 C ATOM 1957 C ALA A 116 -1.732 -12.567 5.431 1.00 41.43 C ATOM 1958 O ALA A 116 -2.651 -12.810 6.214 1.00 50.32 O ATOM 1959 CB ALA A 116 -2.764 -10.919 3.867 1.00 34.01 C ATOM 0 H ALA A 116 -0.399 -11.191 3.077 1.00 12.54 H new ATOM 0 HA ALA A 116 -1.604 -10.456 5.608 1.00 73.45 H new ATOM 0 HB1 ALA A 116 -3.700 -11.039 4.413 1.00 34.01 H new ATOM 0 HB2 ALA A 116 -2.696 -9.902 3.481 1.00 34.01 H new ATOM 0 HB3 ALA A 116 -2.736 -11.625 3.037 1.00 34.01 H new ATOM 1965 N ARG A 117 -0.822 -13.470 5.102 1.00 73.22 N ATOM 1966 CA ARG A 117 -0.882 -14.822 5.636 1.00 15.13 C ATOM 1967 C ARG A 117 0.342 -15.122 6.491 1.00 41.22 C ATOM 1968 O ARG A 117 0.583 -16.272 6.866 1.00 61.04 O ATOM 1969 CB ARG A 117 -1.001 -15.849 4.507 1.00 32.00 C ATOM 1970 CG ARG A 117 -2.272 -15.707 3.684 1.00 13.02 C ATOM 1971 CD ARG A 117 -2.464 -16.895 2.754 1.00 34.44 C ATOM 1972 NE ARG A 117 -1.343 -17.065 1.832 1.00 15.33 N ATOM 1973 CZ ARG A 117 -0.943 -18.245 1.349 1.00 23.14 C ATOM 1974 NH1 ARG A 117 -1.575 -19.360 1.702 1.00 13.51 N ATOM 1975 NH2 ARG A 117 0.085 -18.303 0.511 1.00 3.52 N ATOM 0 H ARG A 117 -0.039 -13.294 4.473 1.00 73.22 H new ATOM 0 HA ARG A 117 -1.770 -14.893 6.264 1.00 15.13 H new ATOM 0 HB2 ARG A 117 -0.139 -15.752 3.847 1.00 32.00 H new ATOM 0 HB3 ARG A 117 -0.965 -16.851 4.934 1.00 32.00 H new ATOM 0 HG2 ARG A 117 -3.131 -15.621 4.350 1.00 13.02 H new ATOM 0 HG3 ARG A 117 -2.228 -14.788 3.099 1.00 13.02 H new ATOM 0 HD2 ARG A 117 -2.585 -17.802 3.347 1.00 34.44 H new ATOM 0 HD3 ARG A 117 -3.383 -16.762 2.184 1.00 34.44 H new ATOM 0 HE ARG A 117 -0.834 -16.231 1.539 1.00 15.33 H new ATOM 0 HH11 ARG A 117 -2.367 -19.316 2.343 1.00 13.51 H new ATOM 0 HH12 ARG A 117 -1.268 -20.259 1.332 1.00 13.51 H new ATOM 0 HH21 ARG A 117 0.568 -17.448 0.237 1.00 3.52 H new ATOM 0 HH22 ARG A 117 0.392 -19.203 0.141 1.00 3.52 H new