USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Set 1.2: A 44 HIS : no HD1:sc= 0 X(o=-0.16,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.296 K(o=0.3,f=-0.56) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 32 GLN : amide:sc= -3.58! C(o=-3.6!,f=-3.8!) USER MOD Single : A 34 THR OG1 : rot -5:sc= -0.0863 USER MOD Single : A 40 ASN : amide:sc= -2.85 K(o=-2.8,f=-11!) USER MOD Single : A 41 SER OG : rot -37:sc= 0.00682 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= -1.27 (180deg=-3.74!) USER MOD Single : A 55 ASN : amide:sc= -0.832 K(o=-0.83,f=-2.9!) USER MOD Single : A 60 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=-0.045) USER MOD Single : A 63 ASN : amide:sc=-0.00577 X(o=-0.0058,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -82:sc= 0.719 USER MOD Single : A 72 SER OG : rot -89:sc= 1.25 USER MOD Single : A 77 GLN : amide:sc= -0.782 X(o=-0.78,f=-1.1) USER MOD Single : A 78 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 83 MET CE :methyl -159:sc= -0.138 (180deg=-0.67) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= 0.731 (180deg=0.682) USER MOD Single : A 98 ASN : amide:sc= 0.489 K(o=0.49,f=-7.8!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -162:sc= 1.01 (180deg=0.781) USER MOD Single : A 112 HIS : no HD1:sc= 0.083 K(o=0.083,f=-2.2!) USER MOD Single : A 113 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 280 N GLN A 17 -5.146 6.427 9.077 1.00 23.13 N ATOM 281 CA GLN A 17 -4.397 5.200 9.278 1.00 75.10 C ATOM 282 C GLN A 17 -2.979 5.377 8.749 1.00 41.00 C ATOM 283 O GLN A 17 -2.084 4.598 9.059 1.00 14.20 O ATOM 284 CB GLN A 17 -5.096 4.016 8.595 1.00 72.55 C ATOM 285 CG GLN A 17 -5.429 4.259 7.130 1.00 61.05 C ATOM 286 CD GLN A 17 -6.232 3.125 6.518 1.00 1.24 C ATOM 287 OE1 GLN A 17 -7.462 3.124 6.564 1.00 0.42 O ATOM 288 NE2 GLN A 17 -5.544 2.158 5.931 1.00 20.44 N ATOM 0 HA GLN A 17 -4.350 4.982 10.345 1.00 75.10 H new ATOM 0 HB2 GLN A 17 -4.457 3.136 8.671 1.00 72.55 H new ATOM 0 HB3 GLN A 17 -6.016 3.790 9.134 1.00 72.55 H new ATOM 0 HG2 GLN A 17 -5.991 5.188 7.038 1.00 61.05 H new ATOM 0 HG3 GLN A 17 -4.504 4.389 6.568 1.00 61.05 H new ATOM 0 HE21 GLN A 17 -4.525 2.195 5.914 1.00 20.44 H new ATOM 0 HE22 GLN A 17 -6.033 1.376 5.496 1.00 20.44 H new ATOM 297 N PHE A 18 -2.784 6.440 7.972 1.00 1.12 N ATOM 298 CA PHE A 18 -1.477 6.764 7.407 1.00 15.41 C ATOM 299 C PHE A 18 -0.449 6.995 8.511 1.00 22.14 C ATOM 300 O PHE A 18 0.617 6.384 8.522 1.00 62.15 O ATOM 301 CB PHE A 18 -1.584 8.009 6.517 1.00 75.02 C ATOM 302 CG PHE A 18 -0.263 8.502 5.992 1.00 3.40 C ATOM 303 CD1 PHE A 18 0.374 7.849 4.949 1.00 60.13 C ATOM 304 CD2 PHE A 18 0.343 9.622 6.544 1.00 15.42 C ATOM 305 CE1 PHE A 18 1.585 8.304 4.463 1.00 71.34 C ATOM 306 CE2 PHE A 18 1.554 10.080 6.061 1.00 11.21 C ATOM 307 CZ PHE A 18 2.177 9.419 5.020 1.00 71.23 C ATOM 0 H PHE A 18 -3.522 7.097 7.718 1.00 1.12 H new ATOM 0 HA PHE A 18 -1.145 5.920 6.803 1.00 15.41 H new ATOM 0 HB2 PHE A 18 -2.238 7.785 5.674 1.00 75.02 H new ATOM 0 HB3 PHE A 18 -2.059 8.809 7.085 1.00 75.02 H new ATOM 0 HD1 PHE A 18 -0.082 6.974 4.510 1.00 60.13 H new ATOM 0 HD2 PHE A 18 -0.137 10.141 7.360 1.00 15.42 H new ATOM 0 HE1 PHE A 18 2.068 7.787 3.647 1.00 71.34 H new ATOM 0 HE2 PHE A 18 2.013 10.955 6.497 1.00 11.21 H new ATOM 0 HZ PHE A 18 3.125 9.774 4.643 1.00 71.23 H new ATOM 317 N THR A 19 -0.781 7.872 9.445 1.00 43.02 N ATOM 318 CA THR A 19 0.122 8.196 10.538 1.00 50.35 C ATOM 319 C THR A 19 0.171 7.056 11.561 1.00 63.22 C ATOM 320 O THR A 19 1.093 6.967 12.374 1.00 52.00 O ATOM 321 CB THR A 19 -0.320 9.502 11.226 1.00 43.04 C ATOM 322 OG1 THR A 19 -0.674 10.474 10.230 1.00 51.32 O ATOM 323 CG2 THR A 19 0.783 10.061 12.116 1.00 21.10 C ATOM 0 H THR A 19 -1.669 8.372 9.468 1.00 43.02 H new ATOM 0 HA THR A 19 1.121 8.332 10.124 1.00 50.35 H new ATOM 0 HB THR A 19 -1.183 9.280 11.854 1.00 43.04 H new ATOM 0 HG1 THR A 19 -0.957 11.304 10.668 1.00 51.32 H new ATOM 0 HG21 THR A 19 0.439 10.982 12.586 1.00 21.10 H new ATOM 0 HG22 THR A 19 1.034 9.332 12.886 1.00 21.10 H new ATOM 0 HG23 THR A 19 1.667 10.270 11.513 1.00 21.10 H new ATOM 331 N PHE A 20 -0.810 6.165 11.495 1.00 20.30 N ATOM 332 CA PHE A 20 -0.896 5.063 12.440 1.00 53.25 C ATOM 333 C PHE A 20 0.012 3.913 12.003 1.00 71.24 C ATOM 334 O PHE A 20 0.715 3.316 12.819 1.00 43.14 O ATOM 335 CB PHE A 20 -2.345 4.594 12.571 1.00 55.35 C ATOM 336 CG PHE A 20 -2.711 4.169 13.965 1.00 53.23 C ATOM 337 CD1 PHE A 20 -2.715 5.090 15.002 1.00 3.10 C ATOM 338 CD2 PHE A 20 -3.051 2.856 14.241 1.00 63.40 C ATOM 339 CE1 PHE A 20 -3.050 4.708 16.286 1.00 2.14 C ATOM 340 CE2 PHE A 20 -3.388 2.470 15.524 1.00 65.42 C ATOM 341 CZ PHE A 20 -3.388 3.397 16.547 1.00 61.13 C ATOM 0 H PHE A 20 -1.555 6.185 10.798 1.00 20.30 H new ATOM 0 HA PHE A 20 -0.557 5.409 13.417 1.00 53.25 H new ATOM 0 HB2 PHE A 20 -3.009 5.400 12.258 1.00 55.35 H new ATOM 0 HB3 PHE A 20 -2.512 3.760 11.889 1.00 55.35 H new ATOM 0 HD1 PHE A 20 -2.453 6.119 14.803 1.00 3.10 H new ATOM 0 HD2 PHE A 20 -3.053 2.126 13.445 1.00 63.40 H new ATOM 0 HE1 PHE A 20 -3.047 5.435 17.085 1.00 2.14 H new ATOM 0 HE2 PHE A 20 -3.652 1.442 15.727 1.00 65.42 H new ATOM 0 HZ PHE A 20 -3.652 3.096 17.550 1.00 61.13 H new ATOM 351 N VAL A 21 0.013 3.615 10.707 1.00 70.02 N ATOM 352 CA VAL A 21 0.905 2.594 10.165 1.00 14.11 C ATOM 353 C VAL A 21 2.334 3.119 10.101 1.00 34.24 C ATOM 354 O VAL A 21 3.288 2.349 10.039 1.00 72.12 O ATOM 355 CB VAL A 21 0.473 2.120 8.757 1.00 4.41 C ATOM 356 CG1 VAL A 21 -0.922 1.522 8.795 1.00 45.03 C ATOM 357 CG2 VAL A 21 0.540 3.257 7.745 1.00 53.23 C ATOM 0 H VAL A 21 -0.589 4.062 10.016 1.00 70.02 H new ATOM 0 HA VAL A 21 0.850 1.739 10.839 1.00 14.11 H new ATOM 0 HB VAL A 21 1.172 1.347 8.439 1.00 4.41 H new ATOM 0 HG11 VAL A 21 -1.205 1.195 7.794 1.00 45.03 H new ATOM 0 HG12 VAL A 21 -0.933 0.668 9.472 1.00 45.03 H new ATOM 0 HG13 VAL A 21 -1.630 2.273 9.146 1.00 45.03 H new ATOM 0 HG21 VAL A 21 0.230 2.891 6.766 1.00 53.23 H new ATOM 0 HG22 VAL A 21 -0.124 4.062 8.058 1.00 53.23 H new ATOM 0 HG23 VAL A 21 1.562 3.632 7.686 1.00 53.23 H new ATOM 367 N PHE A 22 2.469 4.440 10.150 1.00 53.21 N ATOM 368 CA PHE A 22 3.769 5.087 10.051 1.00 73.24 C ATOM 369 C PHE A 22 4.596 4.859 11.317 1.00 34.13 C ATOM 370 O PHE A 22 5.801 5.109 11.336 1.00 14.05 O ATOM 371 CB PHE A 22 3.584 6.587 9.787 1.00 14.13 C ATOM 372 CG PHE A 22 4.850 7.306 9.407 1.00 53.12 C ATOM 373 CD1 PHE A 22 5.391 7.158 8.139 1.00 35.11 C ATOM 374 CD2 PHE A 22 5.491 8.138 10.312 1.00 10.33 C ATOM 375 CE1 PHE A 22 6.547 7.824 7.780 1.00 73.43 C ATOM 376 CE2 PHE A 22 6.649 8.805 9.960 1.00 12.20 C ATOM 377 CZ PHE A 22 7.177 8.649 8.692 1.00 61.32 C ATOM 0 H PHE A 22 1.687 5.086 10.258 1.00 53.21 H new ATOM 0 HA PHE A 22 4.314 4.645 9.217 1.00 73.24 H new ATOM 0 HB2 PHE A 22 2.852 6.717 8.990 1.00 14.13 H new ATOM 0 HB3 PHE A 22 3.168 7.053 10.680 1.00 14.13 H new ATOM 0 HD1 PHE A 22 4.903 6.514 7.423 1.00 35.11 H new ATOM 0 HD2 PHE A 22 5.081 8.266 11.303 1.00 10.33 H new ATOM 0 HE1 PHE A 22 6.957 7.700 6.789 1.00 73.43 H new ATOM 0 HE2 PHE A 22 7.141 9.448 10.675 1.00 12.20 H new ATOM 0 HZ PHE A 22 8.081 9.171 8.415 1.00 61.32 H new ATOM 387 N GLN A 23 3.949 4.373 12.375 1.00 54.35 N ATOM 388 CA GLN A 23 4.646 4.067 13.623 1.00 32.01 C ATOM 389 C GLN A 23 5.627 2.917 13.408 1.00 13.42 C ATOM 390 O GLN A 23 6.717 2.893 13.981 1.00 65.24 O ATOM 391 CB GLN A 23 3.645 3.713 14.725 1.00 73.23 C ATOM 392 CG GLN A 23 2.585 4.779 14.952 1.00 51.54 C ATOM 393 CD GLN A 23 3.169 6.133 15.312 1.00 41.22 C ATOM 394 OE1 GLN A 23 4.221 6.228 15.946 1.00 34.31 O ATOM 395 NE2 GLN A 23 2.499 7.193 14.891 1.00 55.15 N ATOM 0 H GLN A 23 2.947 4.183 12.393 1.00 54.35 H new ATOM 0 HA GLN A 23 5.203 4.950 13.936 1.00 32.01 H new ATOM 0 HB2 GLN A 23 3.154 2.774 14.470 1.00 73.23 H new ATOM 0 HB3 GLN A 23 4.187 3.547 15.656 1.00 73.23 H new ATOM 0 HG2 GLN A 23 1.980 4.879 14.051 1.00 51.54 H new ATOM 0 HG3 GLN A 23 1.917 4.454 15.750 1.00 51.54 H new ATOM 0 HE21 GLN A 23 1.631 7.073 14.369 1.00 55.15 H new ATOM 0 HE22 GLN A 23 2.850 8.130 15.089 1.00 55.15 H new ATOM 404 N GLN A 24 5.229 1.974 12.568 1.00 41.11 N ATOM 405 CA GLN A 24 6.090 0.873 12.169 1.00 21.14 C ATOM 406 C GLN A 24 5.653 0.371 10.799 1.00 30.50 C ATOM 407 O GLN A 24 4.892 -0.593 10.689 1.00 73.12 O ATOM 408 CB GLN A 24 6.048 -0.267 13.196 1.00 32.44 C ATOM 409 CG GLN A 24 7.022 -1.395 12.890 1.00 2.13 C ATOM 410 CD GLN A 24 6.899 -2.557 13.856 1.00 71.42 C ATOM 411 OE1 GLN A 24 5.824 -2.826 14.392 1.00 21.25 O ATOM 412 NE2 GLN A 24 8.000 -3.252 14.086 1.00 44.20 N ATOM 0 H GLN A 24 4.301 1.951 12.145 1.00 41.11 H new ATOM 0 HA GLN A 24 7.119 1.230 12.119 1.00 21.14 H new ATOM 0 HB2 GLN A 24 6.270 0.136 14.184 1.00 32.44 H new ATOM 0 HB3 GLN A 24 5.037 -0.672 13.237 1.00 32.44 H new ATOM 0 HG2 GLN A 24 6.849 -1.753 11.875 1.00 2.13 H new ATOM 0 HG3 GLN A 24 8.040 -1.008 12.922 1.00 2.13 H new ATOM 0 HE21 GLN A 24 8.871 -2.996 13.621 1.00 44.20 H new ATOM 0 HE22 GLN A 24 7.978 -4.044 14.728 1.00 44.20 H new ATOM 421 N PRO A 25 6.088 1.056 9.735 1.00 72.04 N ATOM 422 CA PRO A 25 5.672 0.744 8.378 1.00 11.05 C ATOM 423 C PRO A 25 6.528 -0.340 7.739 1.00 20.33 C ATOM 424 O PRO A 25 7.750 -0.210 7.638 1.00 5.13 O ATOM 425 CB PRO A 25 5.850 2.073 7.646 1.00 72.21 C ATOM 426 CG PRO A 25 6.912 2.813 8.398 1.00 42.33 C ATOM 427 CD PRO A 25 7.022 2.191 9.771 1.00 73.14 C ATOM 0 HA PRO A 25 4.656 0.352 8.341 1.00 11.05 H new ATOM 0 HB2 PRO A 25 6.145 1.912 6.609 1.00 72.21 H new ATOM 0 HB3 PRO A 25 4.918 2.638 7.628 1.00 72.21 H new ATOM 0 HG2 PRO A 25 7.865 2.752 7.873 1.00 42.33 H new ATOM 0 HG3 PRO A 25 6.659 3.870 8.476 1.00 42.33 H new ATOM 0 HD2 PRO A 25 8.040 1.861 9.977 1.00 73.14 H new ATOM 0 HD3 PRO A 25 6.753 2.902 10.552 1.00 73.14 H new ATOM 435 N GLN A 26 5.884 -1.412 7.313 1.00 11.11 N ATOM 436 CA GLN A 26 6.576 -2.493 6.634 1.00 10.54 C ATOM 437 C GLN A 26 6.384 -2.355 5.130 1.00 22.02 C ATOM 438 O GLN A 26 5.266 -2.457 4.619 1.00 60.44 O ATOM 439 CB GLN A 26 6.073 -3.854 7.128 1.00 54.02 C ATOM 440 CG GLN A 26 6.347 -4.091 8.607 1.00 11.33 C ATOM 441 CD GLN A 26 5.855 -5.438 9.106 1.00 24.25 C ATOM 442 OE1 GLN A 26 5.806 -6.420 8.365 1.00 71.23 O ATOM 443 NE2 GLN A 26 5.493 -5.496 10.379 1.00 43.13 N ATOM 0 H GLN A 26 4.881 -1.557 7.426 1.00 11.11 H new ATOM 0 HA GLN A 26 7.641 -2.433 6.860 1.00 10.54 H new ATOM 0 HB2 GLN A 26 5.000 -3.926 6.947 1.00 54.02 H new ATOM 0 HB3 GLN A 26 6.548 -4.643 6.546 1.00 54.02 H new ATOM 0 HG2 GLN A 26 7.420 -4.016 8.786 1.00 11.33 H new ATOM 0 HG3 GLN A 26 5.871 -3.301 9.188 1.00 11.33 H new ATOM 0 HE21 GLN A 26 5.547 -4.662 10.963 1.00 43.13 H new ATOM 0 HE22 GLN A 26 5.160 -6.375 10.775 1.00 43.13 H new ATOM 452 N ARG A 27 7.478 -2.095 4.431 1.00 63.12 N ATOM 453 CA ARG A 27 7.429 -1.856 3.000 1.00 63.22 C ATOM 454 C ARG A 27 7.543 -3.176 2.251 1.00 61.02 C ATOM 455 O ARG A 27 8.597 -3.812 2.240 1.00 42.51 O ATOM 456 CB ARG A 27 8.557 -0.894 2.595 1.00 1.43 C ATOM 457 CG ARG A 27 8.461 -0.334 1.175 1.00 21.53 C ATOM 458 CD ARG A 27 8.914 -1.334 0.120 1.00 61.33 C ATOM 459 NE ARG A 27 10.246 -1.863 0.410 1.00 34.31 N ATOM 460 CZ ARG A 27 10.902 -2.714 -0.376 1.00 71.13 C ATOM 461 NH1 ARG A 27 10.392 -3.079 -1.549 1.00 12.34 N ATOM 462 NH2 ARG A 27 12.077 -3.187 0.012 1.00 1.44 N ATOM 0 H ARG A 27 8.413 -2.044 4.835 1.00 63.12 H new ATOM 0 HA ARG A 27 6.475 -1.397 2.740 1.00 63.22 H new ATOM 0 HB2 ARG A 27 8.570 -0.060 3.297 1.00 1.43 H new ATOM 0 HB3 ARG A 27 9.510 -1.413 2.699 1.00 1.43 H new ATOM 0 HG2 ARG A 27 7.431 -0.040 0.973 1.00 21.53 H new ATOM 0 HG3 ARG A 27 9.070 0.567 1.102 1.00 21.53 H new ATOM 0 HD2 ARG A 27 8.200 -2.156 0.068 1.00 61.33 H new ATOM 0 HD3 ARG A 27 8.919 -0.853 -0.858 1.00 61.33 H new ATOM 0 HE ARG A 27 10.702 -1.560 1.271 1.00 34.31 H new ATOM 0 HH11 ARG A 27 9.492 -2.706 -1.852 1.00 12.34 H new ATOM 0 HH12 ARG A 27 10.901 -3.731 -2.146 1.00 12.34 H new ATOM 0 HH21 ARG A 27 12.472 -2.899 0.907 1.00 1.44 H new ATOM 0 HH22 ARG A 27 12.586 -3.839 -0.584 1.00 1.44 H new ATOM 476 N ALA A 28 6.448 -3.592 1.639 1.00 51.32 N ATOM 477 CA ALA A 28 6.429 -4.823 0.874 1.00 12.01 C ATOM 478 C ALA A 28 5.735 -4.605 -0.460 1.00 61.43 C ATOM 479 O ALA A 28 4.540 -4.303 -0.506 1.00 43.24 O ATOM 480 CB ALA A 28 5.746 -5.930 1.665 1.00 3.22 C ATOM 0 H ALA A 28 5.559 -3.093 1.658 1.00 51.32 H new ATOM 0 HA ALA A 28 7.457 -5.129 0.679 1.00 12.01 H new ATOM 0 HB1 ALA A 28 5.740 -6.847 1.076 1.00 3.22 H new ATOM 0 HB2 ALA A 28 6.288 -6.099 2.596 1.00 3.22 H new ATOM 0 HB3 ALA A 28 4.721 -5.637 1.890 1.00 3.22 H new ATOM 486 N GLY A 29 6.488 -4.738 -1.539 1.00 54.30 N ATOM 487 CA GLY A 29 5.922 -4.568 -2.860 1.00 61.31 C ATOM 488 C GLY A 29 6.899 -3.936 -3.825 1.00 63.45 C ATOM 489 O GLY A 29 8.111 -3.953 -3.592 1.00 1.13 O ATOM 0 H GLY A 29 7.483 -4.961 -1.524 1.00 54.30 H new ATOM 0 HA2 GLY A 29 5.609 -5.538 -3.246 1.00 61.31 H new ATOM 0 HA3 GLY A 29 5.028 -3.948 -2.793 1.00 61.31 H new ATOM 493 N THR A 30 6.369 -3.373 -4.898 1.00 13.14 N ATOM 494 CA THR A 30 7.177 -2.741 -5.926 1.00 31.34 C ATOM 495 C THR A 30 7.712 -1.393 -5.430 1.00 63.02 C ATOM 496 O THR A 30 7.045 -0.708 -4.660 1.00 45.03 O ATOM 497 CB THR A 30 6.323 -2.527 -7.190 1.00 40.14 C ATOM 498 OG1 THR A 30 5.363 -3.588 -7.299 1.00 54.14 O ATOM 499 CG2 THR A 30 7.181 -2.496 -8.447 1.00 32.13 C ATOM 0 H THR A 30 5.366 -3.342 -5.080 1.00 13.14 H new ATOM 0 HA THR A 30 8.022 -3.388 -6.160 1.00 31.34 H new ATOM 0 HB THR A 30 5.819 -1.565 -7.099 1.00 40.14 H new ATOM 0 HG1 THR A 30 4.817 -3.454 -8.102 1.00 54.14 H new ATOM 0 HG21 THR A 30 6.544 -2.343 -9.318 1.00 32.13 H new ATOM 0 HG22 THR A 30 7.901 -1.681 -8.376 1.00 32.13 H new ATOM 0 HG23 THR A 30 7.713 -3.442 -8.548 1.00 32.13 H new ATOM 507 N PRO A 31 8.934 -1.007 -5.834 1.00 43.31 N ATOM 508 CA PRO A 31 9.521 0.288 -5.458 1.00 51.34 C ATOM 509 C PRO A 31 8.723 1.475 -5.995 1.00 34.33 C ATOM 510 O PRO A 31 8.465 2.431 -5.268 1.00 24.03 O ATOM 511 CB PRO A 31 10.917 0.255 -6.091 1.00 74.35 C ATOM 512 CG PRO A 31 11.185 -1.184 -6.368 1.00 70.32 C ATOM 513 CD PRO A 31 9.853 -1.807 -6.655 1.00 54.22 C ATOM 0 HA PRO A 31 9.533 0.421 -4.376 1.00 51.34 H new ATOM 0 HB2 PRO A 31 10.948 0.845 -7.007 1.00 74.35 H new ATOM 0 HB3 PRO A 31 11.665 0.673 -5.417 1.00 74.35 H new ATOM 0 HG2 PRO A 31 11.860 -1.298 -7.216 1.00 70.32 H new ATOM 0 HG3 PRO A 31 11.663 -1.663 -5.514 1.00 70.32 H new ATOM 0 HD2 PRO A 31 9.601 -1.752 -7.714 1.00 54.22 H new ATOM 0 HD3 PRO A 31 9.831 -2.861 -6.376 1.00 54.22 H new ATOM 521 N GLN A 32 8.334 1.407 -7.268 1.00 11.44 N ATOM 522 CA GLN A 32 7.594 2.495 -7.910 1.00 1.31 C ATOM 523 C GLN A 32 6.280 2.770 -7.185 1.00 73.23 C ATOM 524 O GLN A 32 5.940 3.920 -6.903 1.00 4.20 O ATOM 525 CB GLN A 32 7.305 2.182 -9.383 1.00 52.54 C ATOM 526 CG GLN A 32 8.547 1.987 -10.246 1.00 20.14 C ATOM 527 CD GLN A 32 9.148 0.600 -10.121 1.00 30.10 C ATOM 528 OE1 GLN A 32 10.014 0.354 -9.284 1.00 22.25 O ATOM 529 NE2 GLN A 32 8.685 -0.318 -10.953 1.00 51.11 N ATOM 0 H GLN A 32 8.519 0.609 -7.876 1.00 11.44 H new ATOM 0 HA GLN A 32 8.224 3.383 -7.856 1.00 1.31 H new ATOM 0 HB2 GLN A 32 6.696 1.279 -9.436 1.00 52.54 H new ATOM 0 HB3 GLN A 32 6.710 2.993 -9.803 1.00 52.54 H new ATOM 0 HG2 GLN A 32 8.290 2.172 -11.289 1.00 20.14 H new ATOM 0 HG3 GLN A 32 9.296 2.727 -9.966 1.00 20.14 H new ATOM 0 HE21 GLN A 32 7.966 -0.073 -11.633 1.00 51.11 H new ATOM 0 HE22 GLN A 32 9.047 -1.271 -10.914 1.00 51.11 H new ATOM 538 N ILE A 33 5.548 1.706 -6.892 1.00 63.11 N ATOM 539 CA ILE A 33 4.305 1.815 -6.149 1.00 63.45 C ATOM 540 C ILE A 33 4.504 1.244 -4.746 1.00 32.41 C ATOM 541 O ILE A 33 4.423 0.037 -4.526 1.00 14.51 O ATOM 542 CB ILE A 33 3.133 1.110 -6.885 1.00 5.55 C ATOM 543 CG1 ILE A 33 1.881 1.075 -6.003 1.00 62.05 C ATOM 544 CG2 ILE A 33 3.528 -0.295 -7.332 1.00 22.43 C ATOM 545 CD1 ILE A 33 0.678 0.448 -6.675 1.00 43.35 C ATOM 0 H ILE A 33 5.796 0.754 -7.160 1.00 63.11 H new ATOM 0 HA ILE A 33 4.035 2.868 -6.071 1.00 63.45 H new ATOM 0 HB ILE A 33 2.901 1.688 -7.779 1.00 5.55 H new ATOM 0 HG12 ILE A 33 2.106 0.522 -5.091 1.00 62.05 H new ATOM 0 HG13 ILE A 33 1.629 2.093 -5.705 1.00 62.05 H new ATOM 0 HG21 ILE A 33 2.688 -0.764 -7.844 1.00 22.43 H new ATOM 0 HG22 ILE A 33 4.379 -0.235 -8.011 1.00 22.43 H new ATOM 0 HG23 ILE A 33 3.800 -0.891 -6.461 1.00 22.43 H new ATOM 0 HD11 ILE A 33 -0.169 0.459 -5.989 1.00 43.35 H new ATOM 0 HD12 ILE A 33 0.426 1.014 -7.572 1.00 43.35 H new ATOM 0 HD13 ILE A 33 0.910 -0.581 -6.949 1.00 43.35 H new ATOM 557 N THR A 34 4.810 2.122 -3.808 1.00 73.52 N ATOM 558 CA THR A 34 5.201 1.709 -2.473 1.00 5.43 C ATOM 559 C THR A 34 3.990 1.484 -1.571 1.00 73.30 C ATOM 560 O THR A 34 3.302 2.430 -1.185 1.00 20.24 O ATOM 561 CB THR A 34 6.130 2.757 -1.833 1.00 4.54 C ATOM 562 OG1 THR A 34 7.248 3.007 -2.693 1.00 44.14 O ATOM 563 CG2 THR A 34 6.631 2.288 -0.477 1.00 32.40 C ATOM 0 H THR A 34 4.795 3.132 -3.948 1.00 73.52 H new ATOM 0 HA THR A 34 5.733 0.763 -2.573 1.00 5.43 H new ATOM 0 HB THR A 34 5.559 3.675 -1.694 1.00 4.54 H new ATOM 0 HG1 THR A 34 7.212 2.399 -3.461 1.00 44.14 H new ATOM 0 HG21 THR A 34 7.285 3.047 -0.048 1.00 32.40 H new ATOM 0 HG22 THR A 34 5.783 2.123 0.187 1.00 32.40 H new ATOM 0 HG23 THR A 34 7.186 1.357 -0.596 1.00 32.40 H new ATOM 571 N ILE A 35 3.730 0.224 -1.248 1.00 44.00 N ATOM 572 CA ILE A 35 2.673 -0.115 -0.309 1.00 60.12 C ATOM 573 C ILE A 35 3.246 -0.218 1.099 1.00 45.41 C ATOM 574 O ILE A 35 3.956 -1.174 1.424 1.00 15.40 O ATOM 575 CB ILE A 35 1.962 -1.449 -0.656 1.00 41.31 C ATOM 576 CG1 ILE A 35 1.391 -1.425 -2.079 1.00 54.53 C ATOM 577 CG2 ILE A 35 0.852 -1.730 0.348 1.00 74.14 C ATOM 578 CD1 ILE A 35 2.371 -1.868 -3.142 1.00 11.44 C ATOM 0 H ILE A 35 4.237 -0.578 -1.623 1.00 44.00 H new ATOM 0 HA ILE A 35 1.933 0.683 -0.372 1.00 60.12 H new ATOM 0 HB ILE A 35 2.703 -2.246 -0.604 1.00 41.31 H new ATOM 0 HG12 ILE A 35 0.513 -2.069 -2.118 1.00 54.53 H new ATOM 0 HG13 ILE A 35 1.055 -0.414 -2.308 1.00 54.53 H new ATOM 0 HG21 ILE A 35 0.360 -2.669 0.094 1.00 74.14 H new ATOM 0 HG22 ILE A 35 1.277 -1.802 1.349 1.00 74.14 H new ATOM 0 HG23 ILE A 35 0.123 -0.920 0.321 1.00 74.14 H new ATOM 0 HD11 ILE A 35 1.892 -1.823 -4.120 1.00 11.44 H new ATOM 0 HD12 ILE A 35 3.240 -1.210 -3.133 1.00 11.44 H new ATOM 0 HD13 ILE A 35 2.689 -2.891 -2.940 1.00 11.44 H new ATOM 590 N LEU A 36 2.955 0.779 1.916 1.00 32.00 N ATOM 591 CA LEU A 36 3.385 0.785 3.305 1.00 54.33 C ATOM 592 C LEU A 36 2.264 0.259 4.186 1.00 52.41 C ATOM 593 O LEU A 36 1.222 0.898 4.322 1.00 60.32 O ATOM 594 CB LEU A 36 3.770 2.203 3.741 1.00 23.30 C ATOM 595 CG LEU A 36 4.956 2.819 2.998 1.00 5.42 C ATOM 596 CD1 LEU A 36 5.131 4.278 3.391 1.00 74.14 C ATOM 597 CD2 LEU A 36 6.229 2.038 3.281 1.00 13.02 C ATOM 0 H LEU A 36 2.419 1.601 1.639 1.00 32.00 H new ATOM 0 HA LEU A 36 4.259 0.142 3.407 1.00 54.33 H new ATOM 0 HB2 LEU A 36 2.904 2.852 3.610 1.00 23.30 H new ATOM 0 HB3 LEU A 36 3.999 2.188 4.807 1.00 23.30 H new ATOM 0 HG LEU A 36 4.753 2.770 1.928 1.00 5.42 H new ATOM 0 HD11 LEU A 36 5.979 4.701 2.853 1.00 74.14 H new ATOM 0 HD12 LEU A 36 4.228 4.834 3.138 1.00 74.14 H new ATOM 0 HD13 LEU A 36 5.311 4.347 4.464 1.00 74.14 H new ATOM 0 HD21 LEU A 36 7.061 2.492 2.743 1.00 13.02 H new ATOM 0 HD22 LEU A 36 6.436 2.055 4.351 1.00 13.02 H new ATOM 0 HD23 LEU A 36 6.104 1.006 2.952 1.00 13.02 H new ATOM 609 N GLY A 37 2.467 -0.910 4.768 1.00 33.34 N ATOM 610 CA GLY A 37 1.429 -1.514 5.570 1.00 61.34 C ATOM 611 C GLY A 37 1.914 -1.907 6.944 1.00 44.31 C ATOM 612 O GLY A 37 3.120 -1.967 7.192 1.00 62.14 O ATOM 0 H GLY A 37 3.330 -1.450 4.700 1.00 33.34 H new ATOM 0 HA2 GLY A 37 0.598 -0.816 5.668 1.00 61.34 H new ATOM 0 HA3 GLY A 37 1.046 -2.396 5.058 1.00 61.34 H new ATOM 616 N ARG A 38 0.979 -2.172 7.836 1.00 31.31 N ATOM 617 CA ARG A 38 1.307 -2.607 9.177 1.00 43.42 C ATOM 618 C ARG A 38 0.183 -3.471 9.725 1.00 60.21 C ATOM 619 O ARG A 38 -0.991 -3.192 9.496 1.00 23.24 O ATOM 620 CB ARG A 38 1.538 -1.400 10.089 1.00 41.01 C ATOM 621 CG ARG A 38 1.835 -1.776 11.530 1.00 20.41 C ATOM 622 CD ARG A 38 2.009 -0.546 12.403 1.00 34.23 C ATOM 623 NE ARG A 38 2.175 -0.896 13.811 1.00 73.34 N ATOM 624 CZ ARG A 38 1.695 -0.174 14.820 1.00 42.44 C ATOM 625 NH1 ARG A 38 1.038 0.953 14.583 1.00 31.01 N ATOM 626 NH2 ARG A 38 1.870 -0.584 16.067 1.00 15.22 N ATOM 0 H ARG A 38 -0.021 -2.092 7.652 1.00 31.31 H new ATOM 0 HA ARG A 38 2.225 -3.194 9.143 1.00 43.42 H new ATOM 0 HB2 ARG A 38 2.368 -0.812 9.697 1.00 41.01 H new ATOM 0 HB3 ARG A 38 0.655 -0.761 10.063 1.00 41.01 H new ATOM 0 HG2 ARG A 38 1.023 -2.389 11.922 1.00 20.41 H new ATOM 0 HG3 ARG A 38 2.740 -2.382 11.570 1.00 20.41 H new ATOM 0 HD2 ARG A 38 2.877 0.019 12.065 1.00 34.23 H new ATOM 0 HD3 ARG A 38 1.142 0.105 12.291 1.00 34.23 H new ATOM 0 HE ARG A 38 2.691 -1.747 14.035 1.00 73.34 H new ATOM 0 HH11 ARG A 38 0.899 1.270 13.624 1.00 31.01 H new ATOM 0 HH12 ARG A 38 0.672 1.503 15.360 1.00 31.01 H new ATOM 0 HH21 ARG A 38 2.372 -1.452 16.253 1.00 15.22 H new ATOM 0 HH22 ARG A 38 1.503 -0.032 16.842 1.00 15.22 H new ATOM 640 N LEU A 39 0.547 -4.535 10.422 1.00 63.23 N ATOM 641 CA LEU A 39 -0.439 -5.382 11.069 1.00 45.12 C ATOM 642 C LEU A 39 -0.815 -4.778 12.416 1.00 70.03 C ATOM 643 O LEU A 39 -0.186 -5.059 13.437 1.00 34.50 O ATOM 644 CB LEU A 39 0.105 -6.807 11.239 1.00 34.10 C ATOM 645 CG LEU A 39 -0.892 -7.831 11.783 1.00 21.30 C ATOM 646 CD1 LEU A 39 -2.100 -7.944 10.866 1.00 41.04 C ATOM 647 CD2 LEU A 39 -0.217 -9.184 11.950 1.00 22.52 C ATOM 0 H LEU A 39 1.514 -4.831 10.553 1.00 63.23 H new ATOM 0 HA LEU A 39 -1.331 -5.440 10.446 1.00 45.12 H new ATOM 0 HB2 LEU A 39 0.468 -7.157 10.272 1.00 34.10 H new ATOM 0 HB3 LEU A 39 0.965 -6.772 11.908 1.00 34.10 H new ATOM 0 HG LEU A 39 -1.239 -7.493 12.759 1.00 21.30 H new ATOM 0 HD11 LEU A 39 -2.797 -8.678 11.271 1.00 41.04 H new ATOM 0 HD12 LEU A 39 -2.594 -6.975 10.794 1.00 41.04 H new ATOM 0 HD13 LEU A 39 -1.776 -8.260 9.875 1.00 41.04 H new ATOM 0 HD21 LEU A 39 -0.937 -9.904 12.338 1.00 22.52 H new ATOM 0 HD22 LEU A 39 0.155 -9.527 10.984 1.00 22.52 H new ATOM 0 HD23 LEU A 39 0.616 -9.092 12.647 1.00 22.52 H new ATOM 659 N ASN A 40 -1.807 -3.904 12.396 1.00 64.04 N ATOM 660 CA ASN A 40 -2.235 -3.200 13.593 1.00 45.45 C ATOM 661 C ASN A 40 -3.519 -3.818 14.138 1.00 13.20 C ATOM 662 O ASN A 40 -4.139 -4.653 13.483 1.00 43.44 O ATOM 663 CB ASN A 40 -2.444 -1.714 13.272 1.00 63.22 C ATOM 664 CG ASN A 40 -2.689 -0.864 14.509 1.00 61.12 C ATOM 665 OD1 ASN A 40 -3.827 -0.679 14.936 1.00 30.05 O ATOM 666 ND2 ASN A 40 -1.622 -0.342 15.094 1.00 34.41 N ATOM 0 H ASN A 40 -2.335 -3.664 11.557 1.00 64.04 H new ATOM 0 HA ASN A 40 -1.463 -3.289 14.357 1.00 45.45 H new ATOM 0 HB2 ASN A 40 -1.567 -1.335 12.746 1.00 63.22 H new ATOM 0 HB3 ASN A 40 -3.291 -1.611 12.594 1.00 63.22 H new ATOM 0 HD21 ASN A 40 -1.729 0.236 15.928 1.00 34.41 H new ATOM 0 HD22 ASN A 40 -0.693 -0.518 14.711 1.00 34.41 H new ATOM 673 N SER A 41 -3.912 -3.407 15.337 1.00 5.21 N ATOM 674 CA SER A 41 -5.111 -3.929 15.975 1.00 24.03 C ATOM 675 C SER A 41 -6.362 -3.346 15.313 1.00 74.32 C ATOM 676 O SER A 41 -7.479 -3.813 15.543 1.00 63.04 O ATOM 677 CB SER A 41 -5.092 -3.600 17.474 1.00 0.11 C ATOM 678 OG SER A 41 -5.989 -4.425 18.200 1.00 31.13 O ATOM 0 H SER A 41 -3.413 -2.709 15.889 1.00 5.21 H new ATOM 0 HA SER A 41 -5.133 -5.012 15.855 1.00 24.03 H new ATOM 0 HB2 SER A 41 -4.082 -3.729 17.863 1.00 0.11 H new ATOM 0 HB3 SER A 41 -5.359 -2.553 17.621 1.00 0.11 H new ATOM 0 HG SER A 41 -6.797 -4.577 17.667 1.00 31.13 H new ATOM 684 N LEU A 42 -6.167 -2.307 14.509 1.00 21.00 N ATOM 685 CA LEU A 42 -7.249 -1.740 13.713 1.00 15.21 C ATOM 686 C LEU A 42 -7.596 -2.676 12.561 1.00 72.35 C ATOM 687 O LEU A 42 -8.728 -3.151 12.460 1.00 22.22 O ATOM 688 CB LEU A 42 -6.868 -0.353 13.178 1.00 75.03 C ATOM 689 CG LEU A 42 -7.275 0.835 14.062 1.00 55.23 C ATOM 690 CD1 LEU A 42 -8.789 0.918 14.175 1.00 43.15 C ATOM 691 CD2 LEU A 42 -6.644 0.739 15.444 1.00 20.35 C ATOM 0 H LEU A 42 -5.268 -1.840 14.391 1.00 21.00 H new ATOM 0 HA LEU A 42 -8.124 -1.626 14.353 1.00 15.21 H new ATOM 0 HB2 LEU A 42 -5.788 -0.323 13.035 1.00 75.03 H new ATOM 0 HB3 LEU A 42 -7.323 -0.225 12.196 1.00 75.03 H new ATOM 0 HG LEU A 42 -6.907 1.745 13.589 1.00 55.23 H new ATOM 0 HD11 LEU A 42 -9.061 1.765 14.805 1.00 43.15 H new ATOM 0 HD12 LEU A 42 -9.221 1.050 13.183 1.00 43.15 H new ATOM 0 HD13 LEU A 42 -9.172 -0.001 14.618 1.00 43.15 H new ATOM 0 HD21 LEU A 42 -6.952 1.595 16.045 1.00 20.35 H new ATOM 0 HD22 LEU A 42 -6.969 -0.181 15.929 1.00 20.35 H new ATOM 0 HD23 LEU A 42 -5.558 0.735 15.349 1.00 20.35 H new ATOM 703 N GLY A 43 -6.614 -2.940 11.702 1.00 10.52 N ATOM 704 CA GLY A 43 -6.807 -3.868 10.605 1.00 23.32 C ATOM 705 C GLY A 43 -7.945 -3.450 9.701 1.00 64.11 C ATOM 706 O GLY A 43 -8.868 -4.227 9.453 1.00 1.34 O ATOM 0 H GLY A 43 -5.684 -2.524 11.749 1.00 10.52 H new ATOM 0 HA2 GLY A 43 -5.888 -3.937 10.023 1.00 23.32 H new ATOM 0 HA3 GLY A 43 -7.007 -4.863 11.003 1.00 23.32 H new ATOM 710 N HIS A 44 -7.880 -2.221 9.215 1.00 43.13 N ATOM 711 CA HIS A 44 -8.941 -1.669 8.387 1.00 41.35 C ATOM 712 C HIS A 44 -8.609 -1.849 6.907 1.00 12.13 C ATOM 713 O HIS A 44 -7.801 -1.105 6.351 1.00 64.10 O ATOM 714 CB HIS A 44 -9.159 -0.186 8.716 1.00 44.40 C ATOM 715 CG HIS A 44 -10.340 0.418 8.015 1.00 74.33 C ATOM 716 ND1 HIS A 44 -11.645 0.071 8.298 1.00 75.00 N ATOM 717 CD2 HIS A 44 -10.406 1.347 7.032 1.00 60.51 C ATOM 718 CE1 HIS A 44 -12.459 0.758 7.521 1.00 72.10 C ATOM 719 NE2 HIS A 44 -11.735 1.540 6.744 1.00 1.41 N ATOM 0 H HIS A 44 -7.101 -1.584 9.380 1.00 43.13 H new ATOM 0 HA HIS A 44 -9.865 -2.207 8.600 1.00 41.35 H new ATOM 0 HB2 HIS A 44 -9.291 -0.077 9.792 1.00 44.40 H new ATOM 0 HB3 HIS A 44 -8.263 0.373 8.447 1.00 44.40 H new ATOM 0 HD2 HIS A 44 -9.570 1.843 6.562 1.00 60.51 H new ATOM 0 HE1 HIS A 44 -13.537 0.692 7.521 1.00 72.10 H new ATOM 0 HE2 HIS A 44 -12.102 2.184 6.043 1.00 1.41 H new ATOM 728 N PRO A 45 -9.229 -2.845 6.252 1.00 33.52 N ATOM 729 CA PRO A 45 -8.950 -3.169 4.855 1.00 42.42 C ATOM 730 C PRO A 45 -9.521 -2.129 3.903 1.00 65.33 C ATOM 731 O PRO A 45 -10.674 -2.218 3.475 1.00 21.42 O ATOM 732 CB PRO A 45 -9.626 -4.534 4.639 1.00 54.42 C ATOM 733 CG PRO A 45 -10.078 -4.981 5.993 1.00 53.05 C ATOM 734 CD PRO A 45 -10.256 -3.732 6.806 1.00 74.44 C ATOM 0 HA PRO A 45 -7.879 -3.188 4.653 1.00 42.42 H new ATOM 0 HB2 PRO A 45 -10.469 -4.449 3.953 1.00 54.42 H new ATOM 0 HB3 PRO A 45 -8.930 -5.251 4.202 1.00 54.42 H new ATOM 0 HG2 PRO A 45 -11.012 -5.540 5.927 1.00 53.05 H new ATOM 0 HG3 PRO A 45 -9.342 -5.642 6.451 1.00 53.05 H new ATOM 0 HD2 PRO A 45 -11.257 -3.314 6.694 1.00 74.44 H new ATOM 0 HD3 PRO A 45 -10.104 -3.915 7.870 1.00 74.44 H new ATOM 742 N ARG A 46 -8.728 -1.117 3.609 1.00 33.11 N ATOM 743 CA ARG A 46 -9.126 -0.086 2.670 1.00 50.12 C ATOM 744 C ARG A 46 -7.883 0.523 2.044 1.00 50.42 C ATOM 745 O ARG A 46 -6.866 0.684 2.718 1.00 24.41 O ATOM 746 CB ARG A 46 -9.950 1.000 3.373 1.00 61.23 C ATOM 747 CG ARG A 46 -10.903 1.740 2.445 1.00 53.24 C ATOM 748 CD ARG A 46 -12.196 0.964 2.213 1.00 3.14 C ATOM 749 NE ARG A 46 -11.960 -0.425 1.809 1.00 12.51 N ATOM 750 CZ ARG A 46 -12.488 -0.990 0.723 1.00 42.24 C ATOM 751 NH1 ARG A 46 -13.271 -0.286 -0.086 1.00 72.23 N ATOM 752 NH2 ARG A 46 -12.227 -2.264 0.449 1.00 34.45 N ATOM 0 H ARG A 46 -7.799 -0.986 4.009 1.00 33.11 H new ATOM 0 HA ARG A 46 -9.748 -0.531 1.893 1.00 50.12 H new ATOM 0 HB2 ARG A 46 -10.523 0.544 4.180 1.00 61.23 H new ATOM 0 HB3 ARG A 46 -9.271 1.719 3.831 1.00 61.23 H new ATOM 0 HG2 ARG A 46 -11.138 2.716 2.870 1.00 53.24 H new ATOM 0 HG3 ARG A 46 -10.411 1.919 1.489 1.00 53.24 H new ATOM 0 HD2 ARG A 46 -12.790 0.976 3.127 1.00 3.14 H new ATOM 0 HD3 ARG A 46 -12.783 1.466 1.444 1.00 3.14 H new ATOM 0 HE ARG A 46 -11.353 -0.996 2.397 1.00 12.51 H new ATOM 0 HH11 ARG A 46 -13.471 0.692 0.122 1.00 72.23 H new ATOM 0 HH12 ARG A 46 -13.672 -0.723 -0.915 1.00 72.23 H new ATOM 0 HH21 ARG A 46 -11.625 -2.806 1.069 1.00 34.45 H new ATOM 0 HH22 ARG A 46 -12.629 -2.700 -0.381 1.00 34.45 H new ATOM 766 N ILE A 47 -7.955 0.848 0.763 1.00 45.10 N ATOM 767 CA ILE A 47 -6.796 1.368 0.060 1.00 14.14 C ATOM 768 C ILE A 47 -6.703 2.885 0.212 1.00 50.32 C ATOM 769 O ILE A 47 -7.709 3.593 0.149 1.00 24.33 O ATOM 770 CB ILE A 47 -6.813 0.982 -1.440 1.00 0.02 C ATOM 771 CG1 ILE A 47 -5.449 1.263 -2.070 1.00 54.34 C ATOM 772 CG2 ILE A 47 -7.916 1.722 -2.193 1.00 21.54 C ATOM 773 CD1 ILE A 47 -5.356 0.854 -3.523 1.00 2.43 C ATOM 0 H ILE A 47 -8.797 0.762 0.194 1.00 45.10 H new ATOM 0 HA ILE A 47 -5.915 0.914 0.513 1.00 14.14 H new ATOM 0 HB ILE A 47 -7.023 -0.085 -1.513 1.00 0.02 H new ATOM 0 HG12 ILE A 47 -5.232 2.328 -1.987 1.00 54.34 H new ATOM 0 HG13 ILE A 47 -4.681 0.736 -1.503 1.00 54.34 H new ATOM 0 HG21 ILE A 47 -7.900 1.428 -3.243 1.00 21.54 H new ATOM 0 HG22 ILE A 47 -8.884 1.470 -1.760 1.00 21.54 H new ATOM 0 HG23 ILE A 47 -7.752 2.797 -2.115 1.00 21.54 H new ATOM 0 HD11 ILE A 47 -4.360 1.084 -3.903 1.00 2.43 H new ATOM 0 HD12 ILE A 47 -5.540 -0.217 -3.612 1.00 2.43 H new ATOM 0 HD13 ILE A 47 -6.100 1.400 -4.103 1.00 2.43 H new ATOM 785 N GLY A 48 -5.497 3.369 0.456 1.00 64.32 N ATOM 786 CA GLY A 48 -5.272 4.796 0.546 1.00 40.14 C ATOM 787 C GLY A 48 -4.145 5.236 -0.355 1.00 40.43 C ATOM 788 O GLY A 48 -2.975 5.081 -0.015 1.00 15.35 O ATOM 0 H GLY A 48 -4.665 2.796 0.594 1.00 64.32 H new ATOM 0 HA2 GLY A 48 -6.184 5.327 0.275 1.00 40.14 H new ATOM 0 HA3 GLY A 48 -5.041 5.065 1.577 1.00 40.14 H new ATOM 792 N LEU A 49 -4.490 5.765 -1.516 1.00 42.14 N ATOM 793 CA LEU A 49 -3.485 6.177 -2.481 1.00 33.33 C ATOM 794 C LEU A 49 -3.031 7.610 -2.228 1.00 5.12 C ATOM 795 O LEU A 49 -3.778 8.564 -2.449 1.00 41.04 O ATOM 796 CB LEU A 49 -4.015 6.042 -3.912 1.00 73.31 C ATOM 797 CG LEU A 49 -3.051 6.514 -5.007 1.00 2.11 C ATOM 798 CD1 LEU A 49 -1.745 5.739 -4.952 1.00 54.43 C ATOM 799 CD2 LEU A 49 -3.692 6.378 -6.376 1.00 70.05 C ATOM 0 H LEU A 49 -5.454 5.919 -1.813 1.00 42.14 H new ATOM 0 HA LEU A 49 -2.626 5.517 -2.360 1.00 33.33 H new ATOM 0 HB2 LEU A 49 -4.264 4.997 -4.094 1.00 73.31 H new ATOM 0 HB3 LEU A 49 -4.942 6.610 -3.995 1.00 73.31 H new ATOM 0 HG LEU A 49 -2.829 7.566 -4.831 1.00 2.11 H new ATOM 0 HD11 LEU A 49 -1.079 6.093 -5.739 1.00 54.43 H new ATOM 0 HD12 LEU A 49 -1.273 5.890 -3.981 1.00 54.43 H new ATOM 0 HD13 LEU A 49 -1.946 4.677 -5.096 1.00 54.43 H new ATOM 0 HD21 LEU A 49 -2.993 6.718 -7.140 1.00 70.05 H new ATOM 0 HD22 LEU A 49 -3.947 5.334 -6.556 1.00 70.05 H new ATOM 0 HD23 LEU A 49 -4.597 6.985 -6.416 1.00 70.05 H new ATOM 811 N THR A 50 -1.804 7.748 -1.761 1.00 44.20 N ATOM 812 CA THR A 50 -1.192 9.047 -1.585 1.00 73.45 C ATOM 813 C THR A 50 -0.203 9.290 -2.718 1.00 75.33 C ATOM 814 O THR A 50 0.980 8.955 -2.623 1.00 14.54 O ATOM 815 CB THR A 50 -0.480 9.151 -0.225 1.00 31.33 C ATOM 816 OG1 THR A 50 -1.363 8.705 0.813 1.00 1.55 O ATOM 817 CG2 THR A 50 -0.047 10.584 0.056 1.00 2.12 C ATOM 0 H THR A 50 -1.208 6.965 -1.495 1.00 44.20 H new ATOM 0 HA THR A 50 -1.973 9.807 -1.606 1.00 73.45 H new ATOM 0 HB THR A 50 0.409 8.521 -0.252 1.00 31.33 H new ATOM 0 HG1 THR A 50 -0.909 8.770 1.679 1.00 1.55 H new ATOM 0 HG21 THR A 50 0.454 10.630 1.023 1.00 2.12 H new ATOM 0 HG22 THR A 50 0.638 10.916 -0.724 1.00 2.12 H new ATOM 0 HG23 THR A 50 -0.923 11.233 0.070 1.00 2.12 H new ATOM 825 N VAL A 51 -0.711 9.824 -3.814 1.00 30.13 N ATOM 826 CA VAL A 51 0.101 10.054 -4.992 1.00 2.22 C ATOM 827 C VAL A 51 0.643 11.479 -5.010 1.00 53.43 C ATOM 828 O VAL A 51 -0.114 12.451 -4.987 1.00 2.14 O ATOM 829 CB VAL A 51 -0.695 9.759 -6.292 1.00 23.21 C ATOM 830 CG1 VAL A 51 -1.996 10.550 -6.344 1.00 14.54 C ATOM 831 CG2 VAL A 51 0.151 10.042 -7.525 1.00 41.12 C ATOM 0 H VAL A 51 -1.686 10.107 -3.911 1.00 30.13 H new ATOM 0 HA VAL A 51 0.945 9.365 -4.949 1.00 2.22 H new ATOM 0 HB VAL A 51 -0.949 8.699 -6.284 1.00 23.21 H new ATOM 0 HG11 VAL A 51 -2.526 10.318 -7.268 1.00 14.54 H new ATOM 0 HG12 VAL A 51 -2.619 10.282 -5.491 1.00 14.54 H new ATOM 0 HG13 VAL A 51 -1.775 11.617 -6.311 1.00 14.54 H new ATOM 0 HG21 VAL A 51 -0.430 9.827 -8.422 1.00 41.12 H new ATOM 0 HG22 VAL A 51 0.450 11.090 -7.528 1.00 41.12 H new ATOM 0 HG23 VAL A 51 1.040 9.411 -7.509 1.00 41.12 H new ATOM 841 N ALA A 52 1.961 11.597 -5.020 1.00 25.23 N ATOM 842 CA ALA A 52 2.600 12.895 -5.116 1.00 30.14 C ATOM 843 C ALA A 52 2.508 13.407 -6.544 1.00 21.23 C ATOM 844 O ALA A 52 3.057 12.804 -7.470 1.00 4.10 O ATOM 845 CB ALA A 52 4.050 12.818 -4.660 1.00 43.15 C ATOM 0 H ALA A 52 2.607 10.809 -4.963 1.00 25.23 H new ATOM 0 HA ALA A 52 2.082 13.593 -4.458 1.00 30.14 H new ATOM 0 HB1 ALA A 52 4.510 13.803 -4.741 1.00 43.15 H new ATOM 0 HB2 ALA A 52 4.088 12.483 -3.623 1.00 43.15 H new ATOM 0 HB3 ALA A 52 4.592 12.112 -5.289 1.00 43.15 H new ATOM 851 N LYS A 53 1.812 14.521 -6.718 1.00 43.14 N ATOM 852 CA LYS A 53 1.561 15.078 -8.042 1.00 31.51 C ATOM 853 C LYS A 53 2.851 15.548 -8.715 1.00 63.21 C ATOM 854 O LYS A 53 2.869 15.817 -9.915 1.00 25.23 O ATOM 855 CB LYS A 53 0.562 16.234 -7.949 1.00 11.00 C ATOM 856 CG LYS A 53 1.010 17.362 -7.033 1.00 1.43 C ATOM 857 CD LYS A 53 -0.021 18.473 -6.984 1.00 4.42 C ATOM 858 CE LYS A 53 0.388 19.571 -6.017 1.00 52.34 C ATOM 859 NZ LYS A 53 -0.598 20.680 -5.996 1.00 42.31 N ATOM 0 H LYS A 53 1.408 15.062 -5.953 1.00 43.14 H new ATOM 0 HA LYS A 53 1.138 14.285 -8.658 1.00 31.51 H new ATOM 0 HB2 LYS A 53 0.392 16.636 -8.948 1.00 11.00 H new ATOM 0 HB3 LYS A 53 -0.394 15.848 -7.594 1.00 11.00 H new ATOM 0 HG2 LYS A 53 1.177 16.973 -6.028 1.00 1.43 H new ATOM 0 HG3 LYS A 53 1.962 17.761 -7.383 1.00 1.43 H new ATOM 0 HD2 LYS A 53 -0.151 18.895 -7.981 1.00 4.42 H new ATOM 0 HD3 LYS A 53 -0.985 18.063 -6.684 1.00 4.42 H new ATOM 0 HE2 LYS A 53 0.488 19.154 -5.015 1.00 52.34 H new ATOM 0 HE3 LYS A 53 1.366 19.959 -6.300 1.00 52.34 H new ATOM 0 HZ1 LYS A 53 -0.285 21.410 -5.325 1.00 42.31 H new ATOM 0 HZ2 LYS A 53 -0.675 21.094 -6.947 1.00 42.31 H new ATOM 0 HZ3 LYS A 53 -1.526 20.314 -5.701 1.00 42.31 H new ATOM 873 N LYS A 54 3.927 15.635 -7.945 1.00 2.33 N ATOM 874 CA LYS A 54 5.214 16.059 -8.483 1.00 60.13 C ATOM 875 C LYS A 54 5.988 14.865 -9.040 1.00 70.32 C ATOM 876 O LYS A 54 6.997 15.033 -9.729 1.00 45.04 O ATOM 877 CB LYS A 54 6.041 16.774 -7.406 1.00 22.13 C ATOM 878 CG LYS A 54 6.397 15.897 -6.216 1.00 44.10 C ATOM 879 CD LYS A 54 7.187 16.657 -5.153 1.00 51.23 C ATOM 880 CE LYS A 54 8.628 16.935 -5.574 1.00 35.12 C ATOM 881 NZ LYS A 54 8.741 18.025 -6.585 1.00 75.35 N ATOM 0 H LYS A 54 3.935 15.418 -6.948 1.00 2.33 H new ATOM 0 HA LYS A 54 5.026 16.758 -9.298 1.00 60.13 H new ATOM 0 HB2 LYS A 54 6.960 17.148 -7.857 1.00 22.13 H new ATOM 0 HB3 LYS A 54 5.484 17.642 -7.051 1.00 22.13 H new ATOM 0 HG2 LYS A 54 5.483 15.501 -5.773 1.00 44.10 H new ATOM 0 HG3 LYS A 54 6.981 15.043 -6.559 1.00 44.10 H new ATOM 0 HD2 LYS A 54 6.686 17.602 -4.941 1.00 51.23 H new ATOM 0 HD3 LYS A 54 7.188 16.082 -4.227 1.00 51.23 H new ATOM 0 HE2 LYS A 54 9.213 17.202 -4.694 1.00 35.12 H new ATOM 0 HE3 LYS A 54 9.064 16.023 -5.981 1.00 35.12 H new ATOM 0 HZ1 LYS A 54 9.557 18.628 -6.356 1.00 75.35 H new ATOM 0 HZ2 LYS A 54 8.871 17.610 -7.530 1.00 75.35 H new ATOM 0 HZ3 LYS A 54 7.874 18.599 -6.576 1.00 75.35 H new ATOM 895 N ASN A 55 5.509 13.659 -8.746 1.00 13.13 N ATOM 896 CA ASN A 55 6.177 12.440 -9.200 1.00 40.22 C ATOM 897 C ASN A 55 5.587 11.953 -10.515 1.00 61.45 C ATOM 898 O ASN A 55 6.132 11.057 -11.158 1.00 15.34 O ATOM 899 CB ASN A 55 6.074 11.326 -8.154 1.00 3.51 C ATOM 900 CG ASN A 55 6.914 11.592 -6.922 1.00 62.32 C ATOM 901 OD1 ASN A 55 7.898 12.329 -6.974 1.00 21.13 O ATOM 902 ND2 ASN A 55 6.550 10.971 -5.810 1.00 12.25 N ATOM 0 H ASN A 55 4.664 13.499 -8.198 1.00 13.13 H new ATOM 0 HA ASN A 55 7.228 12.687 -9.349 1.00 40.22 H new ATOM 0 HB2 ASN A 55 5.032 11.208 -7.858 1.00 3.51 H new ATOM 0 HB3 ASN A 55 6.386 10.383 -8.603 1.00 3.51 H new ATOM 0 HD21 ASN A 55 7.092 11.096 -4.955 1.00 12.25 H new ATOM 0 HD22 ASN A 55 5.727 10.368 -5.808 1.00 12.25 H new ATOM 909 N VAL A 56 4.480 12.557 -10.911 1.00 33.22 N ATOM 910 CA VAL A 56 3.786 12.166 -12.126 1.00 70.53 C ATOM 911 C VAL A 56 4.121 13.138 -13.255 1.00 43.35 C ATOM 912 O VAL A 56 4.429 14.300 -13.002 1.00 62.12 O ATOM 913 CB VAL A 56 2.257 12.118 -11.900 1.00 2.03 C ATOM 914 CG1 VAL A 56 1.531 11.617 -13.140 1.00 44.42 C ATOM 915 CG2 VAL A 56 1.927 11.243 -10.698 1.00 20.41 C ATOM 0 H VAL A 56 4.040 13.325 -10.405 1.00 33.22 H new ATOM 0 HA VAL A 56 4.119 11.166 -12.404 1.00 70.53 H new ATOM 0 HB VAL A 56 1.914 13.133 -11.700 1.00 2.03 H new ATOM 0 HG11 VAL A 56 0.458 11.595 -12.949 1.00 44.42 H new ATOM 0 HG12 VAL A 56 1.737 12.284 -13.977 1.00 44.42 H new ATOM 0 HG13 VAL A 56 1.877 10.612 -13.383 1.00 44.42 H new ATOM 0 HG21 VAL A 56 0.847 11.219 -10.551 1.00 20.41 H new ATOM 0 HG22 VAL A 56 2.292 10.231 -10.873 1.00 20.41 H new ATOM 0 HG23 VAL A 56 2.405 11.652 -9.808 1.00 20.41 H new ATOM 925 N ARG A 57 4.072 12.643 -14.491 1.00 24.45 N ATOM 926 CA ARG A 57 4.423 13.436 -15.666 1.00 30.02 C ATOM 927 C ARG A 57 3.582 14.713 -15.767 1.00 61.11 C ATOM 928 O ARG A 57 4.117 15.821 -15.688 1.00 54.44 O ATOM 929 CB ARG A 57 4.257 12.595 -16.934 1.00 30.55 C ATOM 930 CG ARG A 57 4.582 13.345 -18.216 1.00 12.30 C ATOM 931 CD ARG A 57 4.234 12.521 -19.444 1.00 61.41 C ATOM 932 NE ARG A 57 4.426 13.275 -20.682 1.00 15.21 N ATOM 933 CZ ARG A 57 3.431 13.828 -21.377 1.00 63.21 C ATOM 934 NH1 ARG A 57 2.178 13.720 -20.947 1.00 4.24 N ATOM 935 NH2 ARG A 57 3.691 14.486 -22.501 1.00 31.22 N ATOM 0 H ARG A 57 3.789 11.686 -14.704 1.00 24.45 H new ATOM 0 HA ARG A 57 5.465 13.737 -15.562 1.00 30.02 H new ATOM 0 HB2 ARG A 57 4.901 11.718 -16.864 1.00 30.55 H new ATOM 0 HB3 ARG A 57 3.230 12.233 -16.987 1.00 30.55 H new ATOM 0 HG2 ARG A 57 4.031 14.285 -18.239 1.00 12.30 H new ATOM 0 HG3 ARG A 57 5.642 13.596 -18.233 1.00 12.30 H new ATOM 0 HD2 ARG A 57 4.853 11.624 -19.466 1.00 61.41 H new ATOM 0 HD3 ARG A 57 3.197 12.191 -19.377 1.00 61.41 H new ATOM 0 HE ARG A 57 5.377 13.384 -21.035 1.00 15.21 H new ATOM 0 HH11 ARG A 57 1.977 13.214 -20.085 1.00 4.24 H new ATOM 0 HH12 ARG A 57 1.418 14.143 -21.479 1.00 4.24 H new ATOM 0 HH21 ARG A 57 4.652 14.569 -22.833 1.00 31.22 H new ATOM 0 HH22 ARG A 57 2.930 14.909 -23.032 1.00 31.22 H new ATOM 949 N ARG A 58 2.273 14.563 -15.954 1.00 3.35 N ATOM 950 CA ARG A 58 1.397 15.719 -16.120 1.00 53.23 C ATOM 951 C ARG A 58 0.091 15.564 -15.348 1.00 45.11 C ATOM 952 O ARG A 58 -0.137 16.254 -14.352 1.00 41.13 O ATOM 953 CB ARG A 58 1.098 15.954 -17.604 1.00 60.40 C ATOM 954 CG ARG A 58 2.238 16.618 -18.356 1.00 72.43 C ATOM 955 CD ARG A 58 2.547 17.984 -17.768 1.00 65.55 C ATOM 956 NE ARG A 58 3.640 18.656 -18.461 1.00 61.53 N ATOM 957 CZ ARG A 58 4.397 19.605 -17.905 1.00 63.41 C ATOM 958 NH1 ARG A 58 4.195 19.964 -16.641 1.00 62.44 N ATOM 959 NH2 ARG A 58 5.359 20.183 -18.607 1.00 3.43 N ATOM 0 H ARG A 58 1.799 13.661 -15.994 1.00 3.35 H new ATOM 0 HA ARG A 58 1.924 16.582 -15.713 1.00 53.23 H new ATOM 0 HB2 ARG A 58 0.870 14.998 -18.076 1.00 60.40 H new ATOM 0 HB3 ARG A 58 0.206 16.574 -17.693 1.00 60.40 H new ATOM 0 HG2 ARG A 58 3.126 15.988 -18.310 1.00 72.43 H new ATOM 0 HG3 ARG A 58 1.974 16.721 -19.409 1.00 72.43 H new ATOM 0 HD2 ARG A 58 1.654 18.607 -17.815 1.00 65.55 H new ATOM 0 HD3 ARG A 58 2.803 17.873 -16.714 1.00 65.55 H new ATOM 0 HE ARG A 58 3.837 18.386 -19.425 1.00 61.53 H new ATOM 0 HH11 ARG A 58 3.461 19.514 -16.094 1.00 62.44 H new ATOM 0 HH12 ARG A 58 4.774 20.689 -16.218 1.00 62.44 H new ATOM 0 HH21 ARG A 58 5.523 19.904 -19.574 1.00 3.43 H new ATOM 0 HH22 ARG A 58 5.936 20.908 -18.181 1.00 3.43 H new ATOM 973 N ALA A 59 -0.759 14.652 -15.800 1.00 71.13 N ATOM 974 CA ALA A 59 -2.108 14.541 -15.261 1.00 22.00 C ATOM 975 C ALA A 59 -2.764 13.236 -15.678 1.00 3.35 C ATOM 976 O ALA A 59 -3.284 12.500 -14.840 1.00 40.42 O ATOM 977 CB ALA A 59 -2.961 15.719 -15.714 1.00 31.12 C ATOM 0 H ALA A 59 -0.540 13.981 -16.536 1.00 71.13 H new ATOM 0 HA ALA A 59 -2.032 14.552 -14.174 1.00 22.00 H new ATOM 0 HB1 ALA A 59 -3.966 15.620 -15.303 1.00 31.12 H new ATOM 0 HB2 ALA A 59 -2.514 16.649 -15.362 1.00 31.12 H new ATOM 0 HB3 ALA A 59 -3.015 15.732 -16.803 1.00 31.12 H new ATOM 983 N HIS A 60 -2.725 12.947 -16.975 1.00 13.45 N ATOM 984 CA HIS A 60 -3.371 11.750 -17.517 1.00 43.02 C ATOM 985 C HIS A 60 -2.754 10.503 -16.901 1.00 42.30 C ATOM 986 O HIS A 60 -3.420 9.486 -16.706 1.00 32.20 O ATOM 987 CB HIS A 60 -3.216 11.686 -19.042 1.00 34.30 C ATOM 988 CG HIS A 60 -3.654 12.923 -19.765 1.00 2.24 C ATOM 989 ND1 HIS A 60 -2.891 13.523 -20.739 1.00 50.42 N ATOM 990 CD2 HIS A 60 -4.780 13.666 -19.660 1.00 51.13 C ATOM 991 CE1 HIS A 60 -3.524 14.583 -21.203 1.00 72.12 C ATOM 992 NE2 HIS A 60 -4.675 14.692 -20.566 1.00 53.14 N ATOM 0 H HIS A 60 -2.254 13.523 -17.672 1.00 13.45 H new ATOM 0 HA HIS A 60 -4.432 11.799 -17.272 1.00 43.02 H new ATOM 0 HB2 HIS A 60 -2.170 11.493 -19.280 1.00 34.30 H new ATOM 0 HB3 HIS A 60 -3.790 10.839 -19.417 1.00 34.30 H new ATOM 0 HD2 HIS A 60 -5.607 13.486 -18.989 1.00 51.13 H new ATOM 0 HE1 HIS A 60 -3.162 15.248 -21.973 1.00 72.12 H new ATOM 0 HE2 HIS A 60 -5.373 15.420 -20.722 1.00 53.14 H new ATOM 1001 N GLU A 61 -1.478 10.614 -16.574 1.00 13.22 N ATOM 1002 CA GLU A 61 -0.713 9.505 -16.039 1.00 73.31 C ATOM 1003 C GLU A 61 -1.063 9.277 -14.571 1.00 44.40 C ATOM 1004 O GLU A 61 -0.931 8.172 -14.051 1.00 22.52 O ATOM 1005 CB GLU A 61 0.790 9.787 -16.174 1.00 13.33 C ATOM 1006 CG GLU A 61 1.225 10.318 -17.542 1.00 33.20 C ATOM 1007 CD GLU A 61 0.889 11.787 -17.755 1.00 71.14 C ATOM 1008 OE1 GLU A 61 0.509 12.467 -16.774 1.00 12.15 O ATOM 1009 OE2 GLU A 61 0.997 12.271 -18.900 1.00 62.11 O ATOM 0 H GLU A 61 -0.944 11.477 -16.673 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.962 8.608 -16.606 1.00 73.31 H new ATOM 0 HB2 GLU A 61 1.079 10.510 -15.411 1.00 13.33 H new ATOM 0 HB3 GLU A 61 1.338 8.868 -15.966 1.00 13.33 H new ATOM 0 HG2 GLU A 61 2.301 10.179 -17.652 1.00 33.20 H new ATOM 0 HG3 GLU A 61 0.746 9.727 -18.322 1.00 33.20 H new ATOM 1016 N ARG A 62 -1.532 10.332 -13.914 1.00 72.01 N ATOM 1017 CA ARG A 62 -1.845 10.276 -12.491 1.00 31.44 C ATOM 1018 C ARG A 62 -3.158 9.537 -12.262 1.00 45.00 C ATOM 1019 O ARG A 62 -3.311 8.804 -11.283 1.00 1.12 O ATOM 1020 CB ARG A 62 -1.910 11.694 -11.915 1.00 34.41 C ATOM 1021 CG ARG A 62 -2.139 11.746 -10.413 1.00 53.11 C ATOM 1022 CD ARG A 62 -1.958 13.156 -9.879 1.00 11.55 C ATOM 1023 NE ARG A 62 -2.859 14.107 -10.526 1.00 11.24 N ATOM 1024 CZ ARG A 62 -2.452 15.196 -11.180 1.00 63.15 C ATOM 1025 NH1 ARG A 62 -1.155 15.460 -11.317 1.00 14.25 N ATOM 1026 NH2 ARG A 62 -3.346 16.016 -11.709 1.00 24.21 N ATOM 0 H ARG A 62 -1.704 11.240 -14.346 1.00 72.01 H new ATOM 0 HA ARG A 62 -1.056 9.728 -11.976 1.00 31.44 H new ATOM 0 HB2 ARG A 62 -0.979 12.212 -12.148 1.00 34.41 H new ATOM 0 HB3 ARG A 62 -2.711 12.240 -12.413 1.00 34.41 H new ATOM 0 HG2 ARG A 62 -3.145 11.393 -10.183 1.00 53.11 H new ATOM 0 HG3 ARG A 62 -1.443 11.073 -9.913 1.00 53.11 H new ATOM 0 HD2 ARG A 62 -2.136 13.162 -8.804 1.00 11.55 H new ATOM 0 HD3 ARG A 62 -0.926 13.472 -10.033 1.00 11.55 H new ATOM 0 HE ARG A 62 -3.862 13.927 -10.474 1.00 11.24 H new ATOM 0 HH11 ARG A 62 -0.461 14.827 -10.920 1.00 14.25 H new ATOM 0 HH12 ARG A 62 -0.855 16.296 -11.819 1.00 14.25 H new ATOM 0 HH21 ARG A 62 -4.341 15.814 -11.616 1.00 24.21 H new ATOM 0 HH22 ARG A 62 -3.040 16.850 -12.210 1.00 24.21 H new ATOM 1040 N ASN A 63 -4.098 9.721 -13.180 1.00 72.34 N ATOM 1041 CA ASN A 63 -5.370 9.009 -13.118 1.00 43.45 C ATOM 1042 C ASN A 63 -5.152 7.525 -13.381 1.00 32.21 C ATOM 1043 O ASN A 63 -5.858 6.672 -12.841 1.00 61.12 O ATOM 1044 CB ASN A 63 -6.364 9.591 -14.129 1.00 53.33 C ATOM 1045 CG ASN A 63 -7.672 8.822 -14.176 1.00 23.41 C ATOM 1046 OD1 ASN A 63 -8.577 9.064 -13.375 1.00 12.13 O ATOM 1047 ND2 ASN A 63 -7.787 7.905 -15.124 1.00 23.54 N ATOM 0 H ASN A 63 -4.005 10.355 -13.974 1.00 72.34 H new ATOM 0 HA ASN A 63 -5.788 9.131 -12.119 1.00 43.45 H new ATOM 0 HB2 ASN A 63 -6.568 10.631 -13.874 1.00 53.33 H new ATOM 0 HB3 ASN A 63 -5.911 9.589 -15.120 1.00 53.33 H new ATOM 0 HD21 ASN A 63 -8.649 7.367 -15.212 1.00 23.54 H new ATOM 0 HD22 ASN A 63 -7.013 7.736 -15.767 1.00 23.54 H new ATOM 1054 N ARG A 64 -4.144 7.228 -14.194 1.00 64.14 N ATOM 1055 CA ARG A 64 -3.775 5.855 -14.503 1.00 12.12 C ATOM 1056 C ARG A 64 -3.373 5.119 -13.226 1.00 3.12 C ATOM 1057 O ARG A 64 -3.680 3.938 -13.050 1.00 72.00 O ATOM 1058 CB ARG A 64 -2.616 5.847 -15.505 1.00 3.44 C ATOM 1059 CG ARG A 64 -2.341 4.495 -16.140 1.00 52.12 C ATOM 1060 CD ARG A 64 -3.473 4.073 -17.065 1.00 1.44 C ATOM 1061 NE ARG A 64 -3.117 2.908 -17.875 1.00 3.22 N ATOM 1062 CZ ARG A 64 -3.759 2.546 -18.989 1.00 43.12 C ATOM 1063 NH1 ARG A 64 -4.823 3.227 -19.405 1.00 12.33 N ATOM 1064 NH2 ARG A 64 -3.336 1.498 -19.688 1.00 51.11 N ATOM 0 H ARG A 64 -3.564 7.929 -14.654 1.00 64.14 H new ATOM 0 HA ARG A 64 -4.631 5.344 -14.944 1.00 12.12 H new ATOM 0 HB2 ARG A 64 -2.830 6.568 -16.294 1.00 3.44 H new ATOM 0 HB3 ARG A 64 -1.713 6.187 -14.999 1.00 3.44 H new ATOM 0 HG2 ARG A 64 -1.408 4.539 -16.702 1.00 52.12 H new ATOM 0 HG3 ARG A 64 -2.209 3.745 -15.360 1.00 52.12 H new ATOM 0 HD2 ARG A 64 -4.359 3.845 -16.472 1.00 1.44 H new ATOM 0 HD3 ARG A 64 -3.734 4.904 -17.721 1.00 1.44 H new ATOM 0 HE ARG A 64 -2.329 2.336 -17.570 1.00 3.22 H new ATOM 0 HH11 ARG A 64 -5.154 4.032 -18.872 1.00 12.33 H new ATOM 0 HH12 ARG A 64 -5.308 2.945 -20.257 1.00 12.33 H new ATOM 0 HH21 ARG A 64 -2.522 0.970 -19.374 1.00 51.11 H new ATOM 0 HH22 ARG A 64 -3.826 1.221 -20.539 1.00 51.11 H new ATOM 1078 N ILE A 65 -2.700 5.836 -12.328 1.00 53.14 N ATOM 1079 CA ILE A 65 -2.279 5.277 -11.049 1.00 52.54 C ATOM 1080 C ILE A 65 -3.493 5.000 -10.161 1.00 4.34 C ATOM 1081 O ILE A 65 -3.565 3.968 -9.486 1.00 74.01 O ATOM 1082 CB ILE A 65 -1.309 6.225 -10.309 1.00 52.11 C ATOM 1083 CG1 ILE A 65 -0.119 6.583 -11.207 1.00 14.14 C ATOM 1084 CG2 ILE A 65 -0.825 5.598 -9.007 1.00 50.11 C ATOM 1085 CD1 ILE A 65 0.657 5.381 -11.706 1.00 13.53 C ATOM 0 H ILE A 65 -2.434 6.811 -12.466 1.00 53.14 H new ATOM 0 HA ILE A 65 -1.758 4.343 -11.258 1.00 52.54 H new ATOM 0 HB ILE A 65 -1.848 7.141 -10.066 1.00 52.11 H new ATOM 0 HG12 ILE A 65 -0.481 7.151 -12.064 1.00 14.14 H new ATOM 0 HG13 ILE A 65 0.557 7.236 -10.655 1.00 14.14 H new ATOM 0 HG21 ILE A 65 -0.143 6.284 -8.504 1.00 50.11 H new ATOM 0 HG22 ILE A 65 -1.679 5.396 -8.361 1.00 50.11 H new ATOM 0 HG23 ILE A 65 -0.306 4.665 -9.224 1.00 50.11 H new ATOM 0 HD11 ILE A 65 1.482 5.716 -12.334 1.00 13.53 H new ATOM 0 HD12 ILE A 65 1.051 4.824 -10.856 1.00 13.53 H new ATOM 0 HD13 ILE A 65 -0.003 4.737 -12.287 1.00 13.53 H new ATOM 1097 N LYS A 66 -4.452 5.921 -10.183 1.00 44.34 N ATOM 1098 CA LYS A 66 -5.684 5.767 -9.412 1.00 14.40 C ATOM 1099 C LYS A 66 -6.500 4.586 -9.929 1.00 3.32 C ATOM 1100 O LYS A 66 -7.271 3.977 -9.185 1.00 33.20 O ATOM 1101 CB LYS A 66 -6.521 7.047 -9.471 1.00 12.52 C ATOM 1102 CG LYS A 66 -5.889 8.226 -8.743 1.00 74.41 C ATOM 1103 CD LYS A 66 -6.604 9.536 -9.058 1.00 54.32 C ATOM 1104 CE LYS A 66 -8.070 9.504 -8.650 1.00 11.21 C ATOM 1105 NZ LYS A 66 -8.252 9.523 -7.173 1.00 53.41 N ATOM 0 H LYS A 66 -4.401 6.783 -10.726 1.00 44.34 H new ATOM 0 HA LYS A 66 -5.410 5.575 -8.375 1.00 14.40 H new ATOM 0 HB2 LYS A 66 -6.680 7.319 -10.515 1.00 12.52 H new ATOM 0 HB3 LYS A 66 -7.502 6.849 -9.040 1.00 12.52 H new ATOM 0 HG2 LYS A 66 -5.916 8.046 -7.668 1.00 74.41 H new ATOM 0 HG3 LYS A 66 -4.840 8.308 -9.026 1.00 74.41 H new ATOM 0 HD2 LYS A 66 -6.103 10.355 -8.542 1.00 54.32 H new ATOM 0 HD3 LYS A 66 -6.530 9.740 -10.126 1.00 54.32 H new ATOM 0 HE2 LYS A 66 -8.584 10.360 -9.087 1.00 11.21 H new ATOM 0 HE3 LYS A 66 -8.538 8.608 -9.059 1.00 11.21 H new ATOM 0 HZ1 LYS A 66 -9.267 9.500 -6.948 1.00 53.41 H new ATOM 0 HZ2 LYS A 66 -7.786 8.693 -6.755 1.00 53.41 H new ATOM 0 HZ3 LYS A 66 -7.830 10.390 -6.782 1.00 53.41 H new ATOM 1119 N ARG A 67 -6.332 4.278 -11.209 1.00 2.33 N ATOM 1120 CA ARG A 67 -6.978 3.117 -11.804 1.00 3.44 C ATOM 1121 C ARG A 67 -6.294 1.836 -11.356 1.00 1.43 C ATOM 1122 O ARG A 67 -6.946 0.927 -10.852 1.00 34.33 O ATOM 1123 CB ARG A 67 -6.963 3.196 -13.333 1.00 41.02 C ATOM 1124 CG ARG A 67 -7.993 4.150 -13.915 1.00 33.20 C ATOM 1125 CD ARG A 67 -9.391 3.827 -13.416 1.00 34.44 C ATOM 1126 NE ARG A 67 -9.669 2.389 -13.434 1.00 44.52 N ATOM 1127 CZ ARG A 67 -10.695 1.822 -12.798 1.00 62.13 C ATOM 1128 NH1 ARG A 67 -11.609 2.576 -12.198 1.00 22.13 N ATOM 1129 NH2 ARG A 67 -10.822 0.503 -12.778 1.00 72.21 N ATOM 0 H ARG A 67 -5.754 4.816 -11.854 1.00 2.33 H new ATOM 0 HA ARG A 67 -8.014 3.110 -11.466 1.00 3.44 H new ATOM 0 HB2 ARG A 67 -5.971 3.506 -13.660 1.00 41.02 H new ATOM 0 HB3 ARG A 67 -7.136 2.199 -13.739 1.00 41.02 H new ATOM 0 HG2 ARG A 67 -7.736 5.174 -13.645 1.00 33.20 H new ATOM 0 HG3 ARG A 67 -7.971 4.092 -15.003 1.00 33.20 H new ATOM 0 HD2 ARG A 67 -9.508 4.205 -12.400 1.00 34.44 H new ATOM 0 HD3 ARG A 67 -10.124 4.344 -14.035 1.00 34.44 H new ATOM 0 HE ARG A 67 -9.041 1.785 -13.964 1.00 44.52 H new ATOM 0 HH11 ARG A 67 -11.528 3.592 -12.223 1.00 22.13 H new ATOM 0 HH12 ARG A 67 -12.392 2.139 -11.713 1.00 22.13 H new ATOM 0 HH21 ARG A 67 -10.133 -0.083 -13.250 1.00 72.21 H new ATOM 0 HH22 ARG A 67 -11.608 0.074 -12.290 1.00 72.21 H new ATOM 1143 N LEU A 68 -4.976 1.784 -11.537 1.00 13.24 N ATOM 1144 CA LEU A 68 -4.193 0.593 -11.217 1.00 11.23 C ATOM 1145 C LEU A 68 -4.439 0.156 -9.776 1.00 43.22 C ATOM 1146 O LEU A 68 -4.754 -1.007 -9.515 1.00 52.03 O ATOM 1147 CB LEU A 68 -2.699 0.885 -11.451 1.00 43.43 C ATOM 1148 CG LEU A 68 -1.741 -0.323 -11.441 1.00 70.14 C ATOM 1149 CD1 LEU A 68 -1.456 -0.806 -10.026 1.00 12.04 C ATOM 1150 CD2 LEU A 68 -2.303 -1.458 -12.284 1.00 23.52 C ATOM 0 H LEU A 68 -4.425 2.559 -11.906 1.00 13.24 H new ATOM 0 HA LEU A 68 -4.503 -0.224 -11.869 1.00 11.23 H new ATOM 0 HB2 LEU A 68 -2.599 1.389 -12.412 1.00 43.43 H new ATOM 0 HB3 LEU A 68 -2.367 1.587 -10.686 1.00 43.43 H new ATOM 0 HG LEU A 68 -0.797 0.006 -11.875 1.00 70.14 H new ATOM 0 HD11 LEU A 68 -0.777 -1.658 -10.062 1.00 12.04 H new ATOM 0 HD12 LEU A 68 -0.997 -0.001 -9.452 1.00 12.04 H new ATOM 0 HD13 LEU A 68 -2.389 -1.105 -9.549 1.00 12.04 H new ATOM 0 HD21 LEU A 68 -1.613 -2.302 -12.265 1.00 23.52 H new ATOM 0 HD22 LEU A 68 -3.267 -1.768 -11.880 1.00 23.52 H new ATOM 0 HD23 LEU A 68 -2.432 -1.118 -13.312 1.00 23.52 H new ATOM 1162 N THR A 69 -4.314 1.094 -8.851 1.00 12.42 N ATOM 1163 CA THR A 69 -4.432 0.795 -7.435 1.00 42.21 C ATOM 1164 C THR A 69 -5.823 0.271 -7.073 1.00 62.02 C ATOM 1165 O THR A 69 -5.958 -0.822 -6.518 1.00 12.40 O ATOM 1166 CB THR A 69 -4.109 2.040 -6.591 1.00 13.22 C ATOM 1167 OG1 THR A 69 -4.779 3.185 -7.132 1.00 24.42 O ATOM 1168 CG2 THR A 69 -2.612 2.294 -6.555 1.00 52.41 C ATOM 0 H THR A 69 -4.130 2.075 -9.059 1.00 12.42 H new ATOM 0 HA THR A 69 -3.710 0.009 -7.213 1.00 42.21 H new ATOM 0 HB THR A 69 -4.456 1.863 -5.573 1.00 13.22 H new ATOM 0 HG1 THR A 69 -4.260 3.543 -7.882 1.00 24.42 H new ATOM 0 HG21 THR A 69 -2.408 3.179 -5.953 1.00 52.41 H new ATOM 0 HG22 THR A 69 -2.107 1.433 -6.117 1.00 52.41 H new ATOM 0 HG23 THR A 69 -2.245 2.453 -7.569 1.00 52.41 H new ATOM 1176 N ARG A 70 -6.855 1.030 -7.417 1.00 63.30 N ATOM 1177 CA ARG A 70 -8.222 0.671 -7.050 1.00 53.03 C ATOM 1178 C ARG A 70 -8.810 -0.412 -7.951 1.00 32.02 C ATOM 1179 O ARG A 70 -10.008 -0.689 -7.890 1.00 72.10 O ATOM 1180 CB ARG A 70 -9.128 1.902 -7.060 1.00 23.33 C ATOM 1181 CG ARG A 70 -9.292 2.541 -5.690 1.00 4.24 C ATOM 1182 CD ARG A 70 -10.244 3.724 -5.741 1.00 23.14 C ATOM 1183 NE ARG A 70 -10.638 4.181 -4.408 1.00 41.11 N ATOM 1184 CZ ARG A 70 -10.840 5.458 -4.083 1.00 14.34 C ATOM 1185 NH1 ARG A 70 -10.623 6.421 -4.975 1.00 74.23 N ATOM 1186 NH2 ARG A 70 -11.258 5.770 -2.862 1.00 73.04 N ATOM 0 H ARG A 70 -6.774 1.897 -7.949 1.00 63.30 H new ATOM 0 HA ARG A 70 -8.172 0.264 -6.040 1.00 53.03 H new ATOM 0 HB2 ARG A 70 -8.719 2.640 -7.750 1.00 23.33 H new ATOM 0 HB3 ARG A 70 -10.109 1.619 -7.441 1.00 23.33 H new ATOM 0 HG2 ARG A 70 -9.667 1.800 -4.984 1.00 4.24 H new ATOM 0 HG3 ARG A 70 -8.320 2.870 -5.321 1.00 4.24 H new ATOM 0 HD2 ARG A 70 -9.770 4.545 -6.278 1.00 23.14 H new ATOM 0 HD3 ARG A 70 -11.135 3.446 -6.305 1.00 23.14 H new ATOM 0 HE ARG A 70 -10.766 3.477 -3.681 1.00 41.11 H new ATOM 0 HH11 ARG A 70 -10.300 6.184 -5.913 1.00 74.23 H new ATOM 0 HH12 ARG A 70 -10.779 7.396 -4.721 1.00 74.23 H new ATOM 0 HH21 ARG A 70 -11.424 5.034 -2.176 1.00 73.04 H new ATOM 0 HH22 ARG A 70 -11.414 6.746 -2.610 1.00 73.04 H new ATOM 1200 N GLU A 71 -7.984 -1.020 -8.784 1.00 24.13 N ATOM 1201 CA GLU A 71 -8.432 -2.140 -9.594 1.00 45.12 C ATOM 1202 C GLU A 71 -7.760 -3.424 -9.120 1.00 21.54 C ATOM 1203 O GLU A 71 -8.417 -4.451 -8.937 1.00 30.11 O ATOM 1204 CB GLU A 71 -8.145 -1.896 -11.076 1.00 41.22 C ATOM 1205 CG GLU A 71 -8.841 -2.884 -11.997 1.00 53.15 C ATOM 1206 CD GLU A 71 -8.771 -2.481 -13.454 1.00 3.55 C ATOM 1207 OE1 GLU A 71 -9.213 -1.359 -13.787 1.00 14.23 O ATOM 1208 OE2 GLU A 71 -8.292 -3.290 -14.275 1.00 62.54 O ATOM 0 H GLU A 71 -7.007 -0.760 -8.917 1.00 24.13 H new ATOM 0 HA GLU A 71 -9.511 -2.242 -9.478 1.00 45.12 H new ATOM 0 HB2 GLU A 71 -8.458 -0.885 -11.337 1.00 41.22 H new ATOM 0 HB3 GLU A 71 -7.069 -1.950 -11.244 1.00 41.22 H new ATOM 0 HG2 GLU A 71 -8.388 -3.868 -11.875 1.00 53.15 H new ATOM 0 HG3 GLU A 71 -9.886 -2.975 -11.700 1.00 53.15 H new ATOM 1215 N SER A 72 -6.455 -3.353 -8.891 1.00 62.33 N ATOM 1216 CA SER A 72 -5.698 -4.504 -8.415 1.00 1.43 C ATOM 1217 C SER A 72 -6.085 -4.855 -6.977 1.00 53.34 C ATOM 1218 O SER A 72 -6.383 -6.011 -6.669 1.00 23.10 O ATOM 1219 CB SER A 72 -4.196 -4.226 -8.515 1.00 74.54 C ATOM 1220 OG SER A 72 -3.869 -2.975 -7.934 1.00 3.12 O ATOM 0 H SER A 72 -5.898 -2.509 -9.027 1.00 62.33 H new ATOM 0 HA SER A 72 -5.939 -5.359 -9.047 1.00 1.43 H new ATOM 0 HB2 SER A 72 -3.642 -5.019 -8.013 1.00 74.54 H new ATOM 0 HB3 SER A 72 -3.890 -4.236 -9.561 1.00 74.54 H new ATOM 0 HG SER A 72 -3.938 -2.271 -8.612 1.00 3.12 H new ATOM 1226 N PHE A 73 -6.116 -3.843 -6.114 1.00 15.22 N ATOM 1227 CA PHE A 73 -6.465 -4.034 -4.708 1.00 44.41 C ATOM 1228 C PHE A 73 -7.979 -4.071 -4.517 1.00 11.02 C ATOM 1229 O PHE A 73 -8.481 -3.932 -3.402 1.00 72.15 O ATOM 1230 CB PHE A 73 -5.851 -2.923 -3.848 1.00 31.04 C ATOM 1231 CG PHE A 73 -4.347 -2.974 -3.776 1.00 3.21 C ATOM 1232 CD1 PHE A 73 -3.715 -3.811 -2.870 1.00 20.01 C ATOM 1233 CD2 PHE A 73 -3.569 -2.189 -4.613 1.00 4.23 C ATOM 1234 CE1 PHE A 73 -2.335 -3.864 -2.800 1.00 71.20 C ATOM 1235 CE2 PHE A 73 -2.189 -2.238 -4.548 1.00 43.43 C ATOM 1236 CZ PHE A 73 -1.571 -3.076 -3.641 1.00 30.54 C ATOM 0 H PHE A 73 -5.903 -2.878 -6.365 1.00 15.22 H new ATOM 0 HA PHE A 73 -6.058 -4.994 -4.389 1.00 44.41 H new ATOM 0 HB2 PHE A 73 -6.154 -1.956 -4.249 1.00 31.04 H new ATOM 0 HB3 PHE A 73 -6.257 -2.991 -2.839 1.00 31.04 H new ATOM 0 HD1 PHE A 73 -4.307 -4.429 -2.211 1.00 20.01 H new ATOM 0 HD2 PHE A 73 -4.047 -1.531 -5.324 1.00 4.23 H new ATOM 0 HE1 PHE A 73 -1.854 -4.520 -2.089 1.00 71.20 H new ATOM 0 HE2 PHE A 73 -1.595 -1.621 -5.206 1.00 43.43 H new ATOM 0 HZ PHE A 73 -0.493 -3.116 -3.589 1.00 30.54 H new ATOM 1246 N ARG A 74 -8.702 -4.256 -5.611 1.00 33.20 N ATOM 1247 CA ARG A 74 -10.145 -4.418 -5.547 1.00 35.24 C ATOM 1248 C ARG A 74 -10.523 -5.846 -5.919 1.00 31.11 C ATOM 1249 O ARG A 74 -11.502 -6.398 -5.412 1.00 35.32 O ATOM 1250 CB ARG A 74 -10.848 -3.427 -6.475 1.00 65.02 C ATOM 1251 CG ARG A 74 -12.352 -3.391 -6.280 1.00 2.33 C ATOM 1252 CD ARG A 74 -13.012 -2.339 -7.152 1.00 63.12 C ATOM 1253 NE ARG A 74 -14.412 -2.149 -6.781 1.00 11.31 N ATOM 1254 CZ ARG A 74 -15.030 -0.970 -6.784 1.00 60.34 C ATOM 1255 NH1 ARG A 74 -14.431 0.100 -7.290 1.00 44.42 N ATOM 1256 NH2 ARG A 74 -16.263 -0.869 -6.307 1.00 13.42 N ATOM 0 H ARG A 74 -8.313 -4.298 -6.553 1.00 33.20 H new ATOM 0 HA ARG A 74 -10.470 -4.215 -4.526 1.00 35.24 H new ATOM 0 HB2 ARG A 74 -10.442 -2.430 -6.306 1.00 65.02 H new ATOM 0 HB3 ARG A 74 -10.628 -3.689 -7.510 1.00 65.02 H new ATOM 0 HG2 ARG A 74 -12.771 -4.370 -6.512 1.00 2.33 H new ATOM 0 HG3 ARG A 74 -12.577 -3.188 -5.233 1.00 2.33 H new ATOM 0 HD2 ARG A 74 -12.476 -1.395 -7.056 1.00 63.12 H new ATOM 0 HD3 ARG A 74 -12.947 -2.637 -8.198 1.00 63.12 H new ATOM 0 HE ARG A 74 -14.949 -2.970 -6.503 1.00 11.31 H new ATOM 0 HH11 ARG A 74 -13.492 0.022 -7.680 1.00 44.42 H new ATOM 0 HH12 ARG A 74 -14.910 1.001 -7.289 1.00 44.42 H new ATOM 0 HH21 ARG A 74 -16.736 -1.694 -5.939 1.00 13.42 H new ATOM 0 HH22 ARG A 74 -16.738 0.034 -6.308 1.00 13.42 H new ATOM 1270 N LEU A 75 -9.734 -6.443 -6.807 1.00 62.22 N ATOM 1271 CA LEU A 75 -9.950 -7.826 -7.213 1.00 54.35 C ATOM 1272 C LEU A 75 -9.607 -8.766 -6.061 1.00 10.54 C ATOM 1273 O LEU A 75 -10.180 -9.847 -5.930 1.00 31.04 O ATOM 1274 CB LEU A 75 -9.106 -8.162 -8.444 1.00 60.51 C ATOM 1275 CG LEU A 75 -9.359 -9.545 -9.052 1.00 61.25 C ATOM 1276 CD1 LEU A 75 -10.799 -9.670 -9.529 1.00 11.02 C ATOM 1277 CD2 LEU A 75 -8.399 -9.799 -10.202 1.00 50.11 C ATOM 0 H LEU A 75 -8.940 -5.990 -7.259 1.00 62.22 H new ATOM 0 HA LEU A 75 -11.001 -7.955 -7.473 1.00 54.35 H new ATOM 0 HB2 LEU A 75 -9.291 -7.408 -9.208 1.00 60.51 H new ATOM 0 HB3 LEU A 75 -8.053 -8.089 -8.173 1.00 60.51 H new ATOM 0 HG LEU A 75 -9.188 -10.295 -8.280 1.00 61.25 H new ATOM 0 HD11 LEU A 75 -10.956 -10.660 -9.957 1.00 11.02 H new ATOM 0 HD12 LEU A 75 -11.475 -9.528 -8.686 1.00 11.02 H new ATOM 0 HD13 LEU A 75 -10.999 -8.912 -10.286 1.00 11.02 H new ATOM 0 HD21 LEU A 75 -8.590 -10.785 -10.624 1.00 50.11 H new ATOM 0 HD22 LEU A 75 -8.544 -9.040 -10.971 1.00 50.11 H new ATOM 0 HD23 LEU A 75 -7.373 -9.754 -9.836 1.00 50.11 H new ATOM 1289 N ARG A 76 -8.667 -8.344 -5.233 1.00 10.24 N ATOM 1290 CA ARG A 76 -8.326 -9.069 -4.021 1.00 1.51 C ATOM 1291 C ARG A 76 -8.787 -8.259 -2.816 1.00 23.40 C ATOM 1292 O ARG A 76 -8.700 -7.029 -2.830 1.00 4.22 O ATOM 1293 CB ARG A 76 -6.819 -9.324 -3.965 1.00 4.13 C ATOM 1294 CG ARG A 76 -6.296 -10.206 -5.094 1.00 64.23 C ATOM 1295 CD ARG A 76 -6.751 -11.658 -4.963 1.00 53.32 C ATOM 1296 NE ARG A 76 -8.187 -11.830 -5.193 1.00 53.11 N ATOM 1297 CZ ARG A 76 -8.836 -12.981 -5.017 1.00 0.23 C ATOM 1298 NH1 ARG A 76 -8.183 -14.060 -4.601 1.00 32.01 N ATOM 1299 NH2 ARG A 76 -10.141 -13.055 -5.254 1.00 12.22 N ATOM 0 H ARG A 76 -8.122 -7.495 -5.380 1.00 10.24 H new ATOM 0 HA ARG A 76 -8.828 -10.037 -4.014 1.00 1.51 H new ATOM 0 HB2 ARG A 76 -6.298 -8.367 -3.994 1.00 4.13 H new ATOM 0 HB3 ARG A 76 -6.575 -9.791 -3.011 1.00 4.13 H new ATOM 0 HG2 ARG A 76 -6.637 -9.807 -6.049 1.00 64.23 H new ATOM 0 HG3 ARG A 76 -5.207 -10.170 -5.104 1.00 64.23 H new ATOM 0 HD2 ARG A 76 -6.199 -12.272 -5.674 1.00 53.32 H new ATOM 0 HD3 ARG A 76 -6.502 -12.023 -3.966 1.00 53.32 H new ATOM 0 HE ARG A 76 -8.723 -11.021 -5.507 1.00 53.11 H new ATOM 0 HH11 ARG A 76 -7.181 -14.010 -4.415 1.00 32.01 H new ATOM 0 HH12 ARG A 76 -8.683 -14.939 -4.467 1.00 32.01 H new ATOM 0 HH21 ARG A 76 -10.649 -12.230 -5.572 1.00 12.22 H new ATOM 0 HH22 ARG A 76 -10.635 -13.937 -5.118 1.00 12.22 H new ATOM 1313 N GLN A 77 -9.279 -8.941 -1.785 1.00 14.40 N ATOM 1314 CA GLN A 77 -9.908 -8.262 -0.652 1.00 72.42 C ATOM 1315 C GLN A 77 -10.434 -9.269 0.374 1.00 1.23 C ATOM 1316 O GLN A 77 -10.671 -8.923 1.534 1.00 41.42 O ATOM 1317 CB GLN A 77 -11.070 -7.391 -1.155 1.00 52.10 C ATOM 1318 CG GLN A 77 -11.537 -6.331 -0.167 1.00 61.14 C ATOM 1319 CD GLN A 77 -10.482 -5.272 0.114 1.00 3.35 C ATOM 1320 OE1 GLN A 77 -10.463 -4.669 1.187 1.00 35.24 O ATOM 1321 NE2 GLN A 77 -9.593 -5.037 -0.842 1.00 14.20 N ATOM 0 H GLN A 77 -9.255 -9.958 -1.709 1.00 14.40 H new ATOM 0 HA GLN A 77 -9.156 -7.639 -0.168 1.00 72.42 H new ATOM 0 HB2 GLN A 77 -10.766 -6.900 -2.079 1.00 52.10 H new ATOM 0 HB3 GLN A 77 -11.913 -8.038 -1.400 1.00 52.10 H new ATOM 0 HG2 GLN A 77 -12.433 -5.848 -0.557 1.00 61.14 H new ATOM 0 HG3 GLN A 77 -11.817 -6.814 0.769 1.00 61.14 H new ATOM 0 HE21 GLN A 77 -9.638 -5.555 -1.719 1.00 14.20 H new ATOM 0 HE22 GLN A 77 -8.864 -4.338 -0.700 1.00 14.20 H new ATOM 1330 N HIS A 78 -10.612 -10.513 -0.052 1.00 51.15 N ATOM 1331 CA HIS A 78 -11.242 -11.529 0.796 1.00 43.12 C ATOM 1332 C HIS A 78 -10.207 -12.514 1.310 1.00 4.13 C ATOM 1333 O HIS A 78 -10.283 -12.998 2.440 1.00 20.30 O ATOM 1334 CB HIS A 78 -12.310 -12.300 0.013 1.00 33.21 C ATOM 1335 CG HIS A 78 -13.413 -11.451 -0.543 1.00 4.20 C ATOM 1336 ND1 HIS A 78 -14.692 -11.463 -0.041 1.00 52.34 N ATOM 1337 CD2 HIS A 78 -13.428 -10.583 -1.583 1.00 14.24 C ATOM 1338 CE1 HIS A 78 -15.449 -10.643 -0.747 1.00 24.01 C ATOM 1339 NE2 HIS A 78 -14.704 -10.094 -1.687 1.00 72.43 N ATOM 0 H HIS A 78 -10.332 -10.846 -0.974 1.00 51.15 H new ATOM 0 HA HIS A 78 -11.706 -11.015 1.638 1.00 43.12 H new ATOM 0 HB2 HIS A 78 -11.828 -12.829 -0.809 1.00 33.21 H new ATOM 0 HB3 HIS A 78 -12.746 -13.056 0.667 1.00 33.21 H new ATOM 0 HD2 HIS A 78 -12.590 -10.324 -2.213 1.00 14.24 H new ATOM 0 HE1 HIS A 78 -16.500 -10.454 -0.583 1.00 24.01 H new ATOM 0 HE2 HIS A 78 -15.025 -9.416 -2.378 1.00 72.43 H new ATOM 1348 N GLU A 79 -9.253 -12.808 0.451 1.00 43.42 N ATOM 1349 CA GLU A 79 -8.198 -13.770 0.729 1.00 41.51 C ATOM 1350 C GLU A 79 -7.195 -13.224 1.746 1.00 23.51 C ATOM 1351 O GLU A 79 -6.511 -13.992 2.430 1.00 12.14 O ATOM 1352 CB GLU A 79 -7.495 -14.159 -0.585 1.00 25.14 C ATOM 1353 CG GLU A 79 -6.740 -13.022 -1.280 1.00 40.25 C ATOM 1354 CD GLU A 79 -7.561 -11.755 -1.456 1.00 71.41 C ATOM 1355 OE1 GLU A 79 -8.686 -11.821 -2.001 1.00 4.53 O ATOM 1356 OE2 GLU A 79 -7.110 -10.698 -0.999 1.00 52.04 O ATOM 0 H GLU A 79 -9.185 -12.382 -0.473 1.00 43.42 H new ATOM 0 HA GLU A 79 -8.648 -14.660 1.170 1.00 41.51 H new ATOM 0 HB2 GLU A 79 -6.793 -14.967 -0.378 1.00 25.14 H new ATOM 0 HB3 GLU A 79 -8.241 -14.554 -1.275 1.00 25.14 H new ATOM 0 HG2 GLU A 79 -5.846 -12.787 -0.703 1.00 40.25 H new ATOM 0 HG3 GLU A 79 -6.406 -13.366 -2.259 1.00 40.25 H new ATOM 1363 N LEU A 80 -7.107 -11.905 1.844 1.00 70.00 N ATOM 1364 CA LEU A 80 -6.243 -11.272 2.826 1.00 1.33 C ATOM 1365 C LEU A 80 -7.009 -11.008 4.124 1.00 21.42 C ATOM 1366 O LEU A 80 -8.222 -10.785 4.106 1.00 2.14 O ATOM 1367 CB LEU A 80 -5.635 -9.976 2.257 1.00 11.43 C ATOM 1368 CG LEU A 80 -6.619 -8.961 1.649 1.00 21.33 C ATOM 1369 CD1 LEU A 80 -7.275 -8.109 2.727 1.00 75.55 C ATOM 1370 CD2 LEU A 80 -5.907 -8.076 0.637 1.00 32.41 C ATOM 0 H LEU A 80 -7.624 -11.253 1.254 1.00 70.00 H new ATOM 0 HA LEU A 80 -5.421 -11.950 3.057 1.00 1.33 H new ATOM 0 HB2 LEU A 80 -5.084 -9.479 3.055 1.00 11.43 H new ATOM 0 HB3 LEU A 80 -4.910 -10.248 1.490 1.00 11.43 H new ATOM 0 HG LEU A 80 -7.404 -9.520 1.141 1.00 21.33 H new ATOM 0 HD11 LEU A 80 -7.964 -7.403 2.264 1.00 75.55 H new ATOM 0 HD12 LEU A 80 -7.823 -8.752 3.416 1.00 75.55 H new ATOM 0 HD13 LEU A 80 -6.508 -7.561 3.275 1.00 75.55 H new ATOM 0 HD21 LEU A 80 -6.615 -7.363 0.215 1.00 32.41 H new ATOM 0 HD22 LEU A 80 -5.099 -7.536 1.131 1.00 32.41 H new ATOM 0 HD23 LEU A 80 -5.496 -8.694 -0.161 1.00 32.41 H new ATOM 1382 N PRO A 81 -6.319 -11.086 5.273 1.00 15.32 N ATOM 1383 CA PRO A 81 -6.908 -10.795 6.579 1.00 64.04 C ATOM 1384 C PRO A 81 -6.942 -9.294 6.864 1.00 23.40 C ATOM 1385 O PRO A 81 -6.783 -8.477 5.956 1.00 21.22 O ATOM 1386 CB PRO A 81 -5.970 -11.509 7.570 1.00 73.00 C ATOM 1387 CG PRO A 81 -4.908 -12.168 6.743 1.00 52.20 C ATOM 1388 CD PRO A 81 -4.920 -11.485 5.406 1.00 12.12 C ATOM 0 HA PRO A 81 -7.943 -11.129 6.645 1.00 64.04 H new ATOM 0 HB2 PRO A 81 -5.532 -10.799 8.271 1.00 73.00 H new ATOM 0 HB3 PRO A 81 -6.516 -12.245 8.161 1.00 73.00 H new ATOM 0 HG2 PRO A 81 -3.932 -12.072 7.218 1.00 52.20 H new ATOM 0 HG3 PRO A 81 -5.107 -13.234 6.635 1.00 52.20 H new ATOM 0 HD2 PRO A 81 -4.248 -10.627 5.382 1.00 12.12 H new ATOM 0 HD3 PRO A 81 -4.610 -12.155 4.604 1.00 12.12 H new ATOM 1396 N ALA A 82 -7.157 -8.936 8.124 1.00 75.53 N ATOM 1397 CA ALA A 82 -7.180 -7.538 8.527 1.00 74.51 C ATOM 1398 C ALA A 82 -5.817 -6.887 8.314 1.00 14.42 C ATOM 1399 O ALA A 82 -4.846 -7.219 8.994 1.00 4.13 O ATOM 1400 CB ALA A 82 -7.605 -7.410 9.982 1.00 2.55 C ATOM 0 H ALA A 82 -7.318 -9.597 8.884 1.00 75.53 H new ATOM 0 HA ALA A 82 -7.908 -7.018 7.903 1.00 74.51 H new ATOM 0 HB1 ALA A 82 -7.617 -6.358 10.266 1.00 2.55 H new ATOM 0 HB2 ALA A 82 -8.602 -7.831 10.108 1.00 2.55 H new ATOM 0 HB3 ALA A 82 -6.901 -7.949 10.616 1.00 2.55 H new ATOM 1406 N MET A 83 -5.746 -5.975 7.355 1.00 50.30 N ATOM 1407 CA MET A 83 -4.507 -5.273 7.058 1.00 25.01 C ATOM 1408 C MET A 83 -4.799 -3.866 6.552 1.00 3.31 C ATOM 1409 O MET A 83 -5.360 -3.691 5.469 1.00 51.35 O ATOM 1410 CB MET A 83 -3.690 -6.047 6.015 1.00 64.33 C ATOM 1411 CG MET A 83 -2.397 -5.351 5.611 1.00 1.41 C ATOM 1412 SD MET A 83 -1.444 -6.285 4.391 1.00 50.13 S ATOM 1413 CE MET A 83 -1.080 -7.771 5.324 1.00 2.01 C ATOM 0 H MET A 83 -6.535 -5.704 6.768 1.00 50.30 H new ATOM 0 HA MET A 83 -3.926 -5.201 7.977 1.00 25.01 H new ATOM 0 HB2 MET A 83 -3.452 -7.034 6.412 1.00 64.33 H new ATOM 0 HB3 MET A 83 -4.303 -6.200 5.127 1.00 64.33 H new ATOM 0 HG2 MET A 83 -2.632 -4.367 5.205 1.00 1.41 H new ATOM 0 HG3 MET A 83 -1.784 -5.191 6.498 1.00 1.41 H new ATOM 0 HE1 MET A 83 -0.218 -8.274 4.886 1.00 2.01 H new ATOM 0 HE2 MET A 83 -0.859 -7.506 6.358 1.00 2.01 H new ATOM 0 HE3 MET A 83 -1.942 -8.438 5.296 1.00 2.01 H new ATOM 1423 N ASP A 84 -4.445 -2.871 7.351 1.00 51.34 N ATOM 1424 CA ASP A 84 -4.539 -1.482 6.932 1.00 10.12 C ATOM 1425 C ASP A 84 -3.192 -1.017 6.398 1.00 45.55 C ATOM 1426 O ASP A 84 -2.141 -1.364 6.941 1.00 52.35 O ATOM 1427 CB ASP A 84 -5.025 -0.584 8.081 1.00 72.21 C ATOM 1428 CG ASP A 84 -4.272 -0.795 9.384 1.00 24.52 C ATOM 1429 OD1 ASP A 84 -4.489 -1.843 10.033 1.00 25.50 O ATOM 1430 OD2 ASP A 84 -3.488 0.091 9.769 1.00 11.42 O ATOM 0 H ASP A 84 -4.088 -3.001 8.298 1.00 51.34 H new ATOM 0 HA ASP A 84 -5.277 -1.406 6.134 1.00 10.12 H new ATOM 0 HB2 ASP A 84 -4.928 0.459 7.781 1.00 72.21 H new ATOM 0 HB3 ASP A 84 -6.086 -0.769 8.251 1.00 72.21 H new ATOM 1435 N PHE A 85 -3.224 -0.268 5.302 1.00 22.15 N ATOM 1436 CA PHE A 85 -2.005 0.148 4.630 1.00 35.04 C ATOM 1437 C PHE A 85 -2.227 1.430 3.837 1.00 31.54 C ATOM 1438 O PHE A 85 -3.363 1.873 3.654 1.00 72.30 O ATOM 1439 CB PHE A 85 -1.507 -0.966 3.697 1.00 62.11 C ATOM 1440 CG PHE A 85 -2.502 -1.387 2.645 1.00 14.42 C ATOM 1441 CD1 PHE A 85 -3.408 -2.407 2.897 1.00 12.40 C ATOM 1442 CD2 PHE A 85 -2.526 -0.769 1.404 1.00 15.20 C ATOM 1443 CE1 PHE A 85 -4.320 -2.797 1.934 1.00 35.33 C ATOM 1444 CE2 PHE A 85 -3.435 -1.156 0.438 1.00 64.41 C ATOM 1445 CZ PHE A 85 -4.333 -2.171 0.702 1.00 24.32 C ATOM 0 H PHE A 85 -4.083 0.062 4.862 1.00 22.15 H new ATOM 0 HA PHE A 85 -1.249 0.343 5.391 1.00 35.04 H new ATOM 0 HB2 PHE A 85 -0.595 -0.630 3.204 1.00 62.11 H new ATOM 0 HB3 PHE A 85 -1.242 -1.836 4.298 1.00 62.11 H new ATOM 0 HD1 PHE A 85 -3.401 -2.902 3.857 1.00 12.40 H new ATOM 0 HD2 PHE A 85 -1.826 0.025 1.190 1.00 15.20 H new ATOM 0 HE1 PHE A 85 -5.022 -3.590 2.144 1.00 35.33 H new ATOM 0 HE2 PHE A 85 -3.443 -0.664 -0.524 1.00 64.41 H new ATOM 0 HZ PHE A 85 -5.044 -2.475 -0.052 1.00 24.32 H new ATOM 1455 N VAL A 86 -1.134 2.014 3.373 1.00 5.31 N ATOM 1456 CA VAL A 86 -1.183 3.201 2.538 1.00 14.15 C ATOM 1457 C VAL A 86 -0.275 3.015 1.321 1.00 54.51 C ATOM 1458 O VAL A 86 0.800 2.422 1.423 1.00 13.12 O ATOM 1459 CB VAL A 86 -0.770 4.465 3.334 1.00 62.20 C ATOM 1460 CG1 VAL A 86 0.653 4.345 3.869 1.00 74.33 C ATOM 1461 CG2 VAL A 86 -0.922 5.717 2.482 1.00 25.34 C ATOM 0 H VAL A 86 -0.190 1.679 3.565 1.00 5.31 H new ATOM 0 HA VAL A 86 -2.210 3.343 2.201 1.00 14.15 H new ATOM 0 HB VAL A 86 -1.441 4.550 4.189 1.00 62.20 H new ATOM 0 HG11 VAL A 86 0.911 5.248 4.422 1.00 74.33 H new ATOM 0 HG12 VAL A 86 0.721 3.482 4.531 1.00 74.33 H new ATOM 0 HG13 VAL A 86 1.345 4.219 3.037 1.00 74.33 H new ATOM 0 HG21 VAL A 86 -0.626 6.591 3.063 1.00 25.34 H new ATOM 0 HG22 VAL A 86 -0.287 5.636 1.600 1.00 25.34 H new ATOM 0 HG23 VAL A 86 -1.962 5.822 2.172 1.00 25.34 H new ATOM 1471 N VAL A 87 -0.719 3.494 0.171 1.00 2.15 N ATOM 1472 CA VAL A 87 0.037 3.335 -1.061 1.00 23.54 C ATOM 1473 C VAL A 87 0.584 4.680 -1.522 1.00 72.13 C ATOM 1474 O VAL A 87 -0.175 5.621 -1.744 1.00 63.13 O ATOM 1475 CB VAL A 87 -0.834 2.728 -2.182 1.00 71.24 C ATOM 1476 CG1 VAL A 87 -0.025 2.543 -3.455 1.00 50.11 C ATOM 1477 CG2 VAL A 87 -1.441 1.406 -1.737 1.00 62.22 C ATOM 0 H VAL A 87 -1.600 3.997 0.064 1.00 2.15 H new ATOM 0 HA VAL A 87 0.862 2.653 -0.854 1.00 23.54 H new ATOM 0 HB VAL A 87 -1.646 3.424 -2.393 1.00 71.24 H new ATOM 0 HG11 VAL A 87 -0.660 2.114 -4.230 1.00 50.11 H new ATOM 0 HG12 VAL A 87 0.354 3.509 -3.789 1.00 50.11 H new ATOM 0 HG13 VAL A 87 0.812 1.873 -3.260 1.00 50.11 H new ATOM 0 HG21 VAL A 87 -2.051 0.996 -2.542 1.00 62.22 H new ATOM 0 HG22 VAL A 87 -0.644 0.704 -1.492 1.00 62.22 H new ATOM 0 HG23 VAL A 87 -2.064 1.569 -0.857 1.00 62.22 H new ATOM 1487 N VAL A 88 1.899 4.766 -1.657 1.00 64.51 N ATOM 1488 CA VAL A 88 2.545 5.996 -2.095 1.00 31.10 C ATOM 1489 C VAL A 88 3.217 5.791 -3.450 1.00 60.22 C ATOM 1490 O VAL A 88 3.940 4.815 -3.654 1.00 33.24 O ATOM 1491 CB VAL A 88 3.592 6.485 -1.071 1.00 71.44 C ATOM 1492 CG1 VAL A 88 4.188 7.817 -1.504 1.00 35.43 C ATOM 1493 CG2 VAL A 88 2.978 6.602 0.318 1.00 23.24 C ATOM 0 H VAL A 88 2.542 3.997 -1.469 1.00 64.51 H new ATOM 0 HA VAL A 88 1.769 6.757 -2.182 1.00 31.10 H new ATOM 0 HB VAL A 88 4.393 5.747 -1.029 1.00 71.44 H new ATOM 0 HG11 VAL A 88 4.923 8.143 -0.768 1.00 35.43 H new ATOM 0 HG12 VAL A 88 4.672 7.701 -2.474 1.00 35.43 H new ATOM 0 HG13 VAL A 88 3.396 8.562 -1.581 1.00 35.43 H new ATOM 0 HG21 VAL A 88 3.735 6.948 1.022 1.00 23.24 H new ATOM 0 HG22 VAL A 88 2.153 7.314 0.292 1.00 23.24 H new ATOM 0 HG23 VAL A 88 2.606 5.628 0.635 1.00 23.24 H new ATOM 1503 N ALA A 89 2.974 6.711 -4.374 1.00 3.45 N ATOM 1504 CA ALA A 89 3.533 6.611 -5.713 1.00 71.51 C ATOM 1505 C ALA A 89 4.837 7.392 -5.826 1.00 4.31 C ATOM 1506 O ALA A 89 4.891 8.587 -5.514 1.00 5.14 O ATOM 1507 CB ALA A 89 2.524 7.099 -6.741 1.00 33.31 C ATOM 0 H ALA A 89 2.393 7.535 -4.219 1.00 3.45 H new ATOM 0 HA ALA A 89 3.756 5.563 -5.911 1.00 71.51 H new ATOM 0 HB1 ALA A 89 2.954 7.019 -7.739 1.00 33.31 H new ATOM 0 HB2 ALA A 89 1.623 6.489 -6.684 1.00 33.31 H new ATOM 0 HB3 ALA A 89 2.271 8.139 -6.537 1.00 33.31 H new ATOM 1513 N LYS A 90 5.886 6.708 -6.263 1.00 21.34 N ATOM 1514 CA LYS A 90 7.186 7.335 -6.452 1.00 34.20 C ATOM 1515 C LYS A 90 7.287 7.927 -7.855 1.00 11.44 C ATOM 1516 O LYS A 90 6.354 7.825 -8.653 1.00 64.31 O ATOM 1517 CB LYS A 90 8.308 6.315 -6.245 1.00 0.13 C ATOM 1518 CG LYS A 90 8.259 5.595 -4.904 1.00 2.40 C ATOM 1519 CD LYS A 90 8.613 6.509 -3.741 1.00 63.53 C ATOM 1520 CE LYS A 90 8.611 5.739 -2.429 1.00 40.34 C ATOM 1521 NZ LYS A 90 9.074 6.563 -1.281 1.00 40.51 N ATOM 0 H LYS A 90 5.861 5.715 -6.494 1.00 21.34 H new ATOM 0 HA LYS A 90 7.291 8.132 -5.716 1.00 34.20 H new ATOM 0 HB2 LYS A 90 8.262 5.575 -7.044 1.00 0.13 H new ATOM 0 HB3 LYS A 90 9.268 6.824 -6.336 1.00 0.13 H new ATOM 0 HG2 LYS A 90 7.260 5.187 -4.750 1.00 2.40 H new ATOM 0 HG3 LYS A 90 8.949 4.751 -4.922 1.00 2.40 H new ATOM 0 HD2 LYS A 90 9.595 6.952 -3.906 1.00 63.53 H new ATOM 0 HD3 LYS A 90 7.898 7.330 -3.687 1.00 63.53 H new ATOM 0 HE2 LYS A 90 7.604 5.375 -2.227 1.00 40.34 H new ATOM 0 HE3 LYS A 90 9.253 4.863 -2.525 1.00 40.34 H new ATOM 0 HZ1 LYS A 90 9.053 5.991 -0.413 1.00 40.51 H new ATOM 0 HZ2 LYS A 90 10.045 6.890 -1.458 1.00 40.51 H new ATOM 0 HZ3 LYS A 90 8.447 7.385 -1.169 1.00 40.51 H new ATOM 1535 N LYS A 91 8.423 8.538 -8.156 1.00 55.45 N ATOM 1536 CA LYS A 91 8.640 9.135 -9.466 1.00 53.31 C ATOM 1537 C LYS A 91 9.123 8.086 -10.462 1.00 51.13 C ATOM 1538 O LYS A 91 10.073 7.352 -10.195 1.00 31.32 O ATOM 1539 CB LYS A 91 9.645 10.287 -9.364 1.00 55.31 C ATOM 1540 CG LYS A 91 10.061 10.861 -10.710 1.00 45.10 C ATOM 1541 CD LYS A 91 10.774 12.195 -10.554 1.00 71.34 C ATOM 1542 CE LYS A 91 9.806 13.295 -10.161 1.00 3.43 C ATOM 1543 NZ LYS A 91 8.831 13.593 -11.247 1.00 62.32 N ATOM 0 H LYS A 91 9.208 8.634 -7.512 1.00 55.45 H new ATOM 0 HA LYS A 91 7.692 9.533 -9.827 1.00 53.31 H new ATOM 0 HB2 LYS A 91 9.211 11.083 -8.759 1.00 55.31 H new ATOM 0 HB3 LYS A 91 10.533 9.936 -8.839 1.00 55.31 H new ATOM 0 HG2 LYS A 91 10.716 10.155 -11.220 1.00 45.10 H new ATOM 0 HG3 LYS A 91 9.180 10.990 -11.339 1.00 45.10 H new ATOM 0 HD2 LYS A 91 11.554 12.107 -9.798 1.00 71.34 H new ATOM 0 HD3 LYS A 91 11.266 12.458 -11.490 1.00 71.34 H new ATOM 0 HE2 LYS A 91 9.267 12.999 -9.261 1.00 3.43 H new ATOM 0 HE3 LYS A 91 10.364 14.199 -9.916 1.00 3.43 H new ATOM 0 HZ1 LYS A 91 8.210 14.373 -10.951 1.00 62.32 H new ATOM 0 HZ2 LYS A 91 9.344 13.867 -12.109 1.00 62.32 H new ATOM 0 HZ3 LYS A 91 8.257 12.747 -11.440 1.00 62.32 H new ATOM 1557 N GLY A 92 8.449 8.016 -11.602 1.00 2.31 N ATOM 1558 CA GLY A 92 8.807 7.048 -12.621 1.00 23.11 C ATOM 1559 C GLY A 92 7.736 5.997 -12.806 1.00 42.51 C ATOM 1560 O GLY A 92 7.758 5.235 -13.773 1.00 4.24 O ATOM 0 H GLY A 92 7.658 8.614 -11.840 1.00 2.31 H new ATOM 0 HA2 GLY A 92 8.976 7.563 -13.567 1.00 23.11 H new ATOM 0 HA3 GLY A 92 9.745 6.565 -12.348 1.00 23.11 H new ATOM 1564 N VAL A 93 6.784 5.967 -11.881 1.00 45.15 N ATOM 1565 CA VAL A 93 5.685 5.010 -11.939 1.00 24.31 C ATOM 1566 C VAL A 93 4.796 5.274 -13.159 1.00 42.24 C ATOM 1567 O VAL A 93 4.120 4.377 -13.659 1.00 42.02 O ATOM 1568 CB VAL A 93 4.835 5.058 -10.644 1.00 3.42 C ATOM 1569 CG1 VAL A 93 4.120 6.398 -10.502 1.00 52.34 C ATOM 1570 CG2 VAL A 93 3.842 3.906 -10.597 1.00 53.00 C ATOM 0 H VAL A 93 6.751 6.597 -11.079 1.00 45.15 H new ATOM 0 HA VAL A 93 6.119 4.015 -12.031 1.00 24.31 H new ATOM 0 HB VAL A 93 5.515 4.951 -9.799 1.00 3.42 H new ATOM 0 HG11 VAL A 93 3.532 6.401 -9.584 1.00 52.34 H new ATOM 0 HG12 VAL A 93 4.856 7.201 -10.464 1.00 52.34 H new ATOM 0 HG13 VAL A 93 3.460 6.551 -11.356 1.00 52.34 H new ATOM 0 HG21 VAL A 93 3.259 3.965 -9.678 1.00 53.00 H new ATOM 0 HG22 VAL A 93 3.173 3.967 -11.455 1.00 53.00 H new ATOM 0 HG23 VAL A 93 4.381 2.959 -10.624 1.00 53.00 H new ATOM 1580 N ALA A 94 4.844 6.505 -13.656 1.00 1.22 N ATOM 1581 CA ALA A 94 3.993 6.930 -14.760 1.00 0.13 C ATOM 1582 C ALA A 94 4.635 6.637 -16.114 1.00 60.25 C ATOM 1583 O ALA A 94 4.209 7.165 -17.143 1.00 3.24 O ATOM 1584 CB ALA A 94 3.694 8.416 -14.631 1.00 14.45 C ATOM 0 H ALA A 94 5.469 7.232 -13.308 1.00 1.22 H new ATOM 0 HA ALA A 94 3.064 6.363 -14.709 1.00 0.13 H new ATOM 0 HB1 ALA A 94 3.057 8.732 -15.457 1.00 14.45 H new ATOM 0 HB2 ALA A 94 3.183 8.604 -13.687 1.00 14.45 H new ATOM 0 HB3 ALA A 94 4.627 8.978 -14.656 1.00 14.45 H new ATOM 1590 N ASP A 95 5.662 5.799 -16.115 1.00 35.34 N ATOM 1591 CA ASP A 95 6.345 5.442 -17.355 1.00 3.03 C ATOM 1592 C ASP A 95 6.170 3.955 -17.663 1.00 70.20 C ATOM 1593 O ASP A 95 6.504 3.488 -18.753 1.00 33.44 O ATOM 1594 CB ASP A 95 7.832 5.806 -17.266 1.00 13.43 C ATOM 1595 CG ASP A 95 8.586 5.513 -18.549 1.00 45.45 C ATOM 1596 OD1 ASP A 95 8.202 6.055 -19.612 1.00 42.43 O ATOM 1597 OD2 ASP A 95 9.577 4.752 -18.503 1.00 73.14 O ATOM 0 H ASP A 95 6.040 5.355 -15.278 1.00 35.34 H new ATOM 0 HA ASP A 95 5.897 6.009 -18.171 1.00 3.03 H new ATOM 0 HB2 ASP A 95 7.929 6.865 -17.027 1.00 13.43 H new ATOM 0 HB3 ASP A 95 8.289 5.251 -16.447 1.00 13.43 H new ATOM 1602 N LEU A 96 5.616 3.221 -16.707 1.00 34.02 N ATOM 1603 CA LEU A 96 5.423 1.784 -16.866 1.00 1.30 C ATOM 1604 C LEU A 96 4.220 1.499 -17.761 1.00 51.44 C ATOM 1605 O LEU A 96 3.156 2.093 -17.590 1.00 31.41 O ATOM 1606 CB LEU A 96 5.234 1.112 -15.504 1.00 23.14 C ATOM 1607 CG LEU A 96 6.422 1.244 -14.541 1.00 22.51 C ATOM 1608 CD1 LEU A 96 6.120 0.556 -13.219 1.00 54.44 C ATOM 1609 CD2 LEU A 96 7.683 0.662 -15.162 1.00 75.00 C ATOM 0 H LEU A 96 5.293 3.595 -15.815 1.00 34.02 H new ATOM 0 HA LEU A 96 6.315 1.373 -17.338 1.00 1.30 H new ATOM 0 HB2 LEU A 96 4.351 1.536 -15.027 1.00 23.14 H new ATOM 0 HB3 LEU A 96 5.032 0.053 -15.664 1.00 23.14 H new ATOM 0 HG LEU A 96 6.587 2.304 -14.350 1.00 22.51 H new ATOM 0 HD11 LEU A 96 6.975 0.661 -12.551 1.00 54.44 H new ATOM 0 HD12 LEU A 96 5.243 1.015 -12.762 1.00 54.44 H new ATOM 0 HD13 LEU A 96 5.925 -0.502 -13.395 1.00 54.44 H new ATOM 0 HD21 LEU A 96 8.514 0.765 -14.464 1.00 75.00 H new ATOM 0 HD22 LEU A 96 7.525 -0.393 -15.385 1.00 75.00 H new ATOM 0 HD23 LEU A 96 7.915 1.196 -16.083 1.00 75.00 H new ATOM 1621 N ASP A 97 4.400 0.594 -18.716 1.00 75.43 N ATOM 1622 CA ASP A 97 3.334 0.241 -19.643 1.00 12.54 C ATOM 1623 C ASP A 97 2.473 -0.876 -19.055 1.00 32.32 C ATOM 1624 O ASP A 97 2.734 -1.350 -17.945 1.00 40.31 O ATOM 1625 CB ASP A 97 3.913 -0.196 -20.995 1.00 72.20 C ATOM 1626 CG ASP A 97 4.254 -1.674 -21.046 1.00 55.31 C ATOM 1627 OD1 ASP A 97 5.098 -2.129 -20.248 1.00 0.41 O ATOM 1628 OD2 ASP A 97 3.672 -2.391 -21.892 1.00 22.42 O ATOM 0 H ASP A 97 5.275 0.092 -18.868 1.00 75.43 H new ATOM 0 HA ASP A 97 2.712 1.122 -19.803 1.00 12.54 H new ATOM 0 HB2 ASP A 97 3.195 0.033 -21.782 1.00 72.20 H new ATOM 0 HB3 ASP A 97 4.811 0.386 -21.204 1.00 72.20 H new ATOM 1633 N ASN A 98 1.460 -1.304 -19.804 1.00 14.42 N ATOM 1634 CA ASN A 98 0.539 -2.337 -19.339 1.00 34.32 C ATOM 1635 C ASN A 98 1.263 -3.651 -19.073 1.00 50.44 C ATOM 1636 O ASN A 98 0.931 -4.364 -18.130 1.00 74.30 O ATOM 1637 CB ASN A 98 -0.597 -2.558 -20.343 1.00 40.44 C ATOM 1638 CG ASN A 98 -1.574 -1.398 -20.386 1.00 1.22 C ATOM 1639 OD1 ASN A 98 -1.201 -0.239 -20.191 1.00 34.24 O ATOM 1640 ND2 ASN A 98 -2.839 -1.699 -20.626 1.00 63.34 N ATOM 0 H ASN A 98 1.256 -0.950 -20.739 1.00 14.42 H new ATOM 0 HA ASN A 98 0.111 -1.986 -18.400 1.00 34.32 H new ATOM 0 HB2 ASN A 98 -0.174 -2.709 -21.336 1.00 40.44 H new ATOM 0 HB3 ASN A 98 -1.134 -3.470 -20.083 1.00 40.44 H new ATOM 0 HD21 ASN A 98 -3.542 -0.961 -20.654 1.00 63.34 H new ATOM 0 HD22 ASN A 98 -3.111 -2.669 -20.783 1.00 63.34 H new ATOM 1647 N ARG A 99 2.260 -3.964 -19.893 1.00 2.10 N ATOM 1648 CA ARG A 99 3.072 -5.157 -19.688 1.00 24.34 C ATOM 1649 C ARG A 99 3.804 -5.057 -18.357 1.00 73.55 C ATOM 1650 O ARG A 99 3.732 -5.964 -17.532 1.00 62.03 O ATOM 1651 CB ARG A 99 4.081 -5.323 -20.829 1.00 54.33 C ATOM 1652 CG ARG A 99 5.067 -6.475 -20.651 1.00 21.51 C ATOM 1653 CD ARG A 99 4.444 -7.834 -20.947 1.00 13.14 C ATOM 1654 NE ARG A 99 3.571 -8.310 -19.874 1.00 13.12 N ATOM 1655 CZ ARG A 99 2.365 -8.843 -20.078 1.00 33.54 C ATOM 1656 NH1 ARG A 99 1.855 -8.908 -21.306 1.00 43.14 N ATOM 1657 NH2 ARG A 99 1.677 -9.319 -19.048 1.00 1.21 N ATOM 0 H ARG A 99 2.525 -3.408 -20.706 1.00 2.10 H new ATOM 0 HA ARG A 99 2.418 -6.029 -19.676 1.00 24.34 H new ATOM 0 HB2 ARG A 99 3.534 -5.473 -21.760 1.00 54.33 H new ATOM 0 HB3 ARG A 99 4.643 -4.395 -20.935 1.00 54.33 H new ATOM 0 HG2 ARG A 99 5.922 -6.321 -21.309 1.00 21.51 H new ATOM 0 HG3 ARG A 99 5.446 -6.469 -19.629 1.00 21.51 H new ATOM 0 HD2 ARG A 99 3.871 -7.771 -21.872 1.00 13.14 H new ATOM 0 HD3 ARG A 99 5.238 -8.563 -21.112 1.00 13.14 H new ATOM 0 HE ARG A 99 3.904 -8.230 -18.913 1.00 13.12 H new ATOM 0 HH11 ARG A 99 2.387 -8.549 -22.099 1.00 43.14 H new ATOM 0 HH12 ARG A 99 0.932 -9.317 -21.454 1.00 43.14 H new ATOM 0 HH21 ARG A 99 2.071 -9.276 -18.108 1.00 1.21 H new ATOM 0 HH22 ARG A 99 0.754 -9.728 -19.196 1.00 1.21 H new ATOM 1671 N ALA A 100 4.478 -3.931 -18.153 1.00 14.51 N ATOM 1672 CA ALA A 100 5.243 -3.694 -16.938 1.00 20.05 C ATOM 1673 C ALA A 100 4.364 -3.778 -15.694 1.00 43.41 C ATOM 1674 O ALA A 100 4.696 -4.482 -14.744 1.00 72.43 O ATOM 1675 CB ALA A 100 5.933 -2.340 -17.004 1.00 21.15 C ATOM 0 H ALA A 100 4.509 -3.162 -18.822 1.00 14.51 H new ATOM 0 HA ALA A 100 5.998 -4.477 -16.865 1.00 20.05 H new ATOM 0 HB1 ALA A 100 6.501 -2.176 -16.088 1.00 21.15 H new ATOM 0 HB2 ALA A 100 6.608 -2.317 -17.859 1.00 21.15 H new ATOM 0 HB3 ALA A 100 5.184 -1.555 -17.112 1.00 21.15 H new ATOM 1681 N LEU A 101 3.231 -3.077 -15.706 1.00 12.01 N ATOM 1682 CA LEU A 101 2.351 -3.055 -14.538 1.00 33.55 C ATOM 1683 C LEU A 101 1.670 -4.407 -14.333 1.00 15.13 C ATOM 1684 O LEU A 101 1.298 -4.755 -13.215 1.00 41.35 O ATOM 1685 CB LEU A 101 1.320 -1.911 -14.638 1.00 31.35 C ATOM 1686 CG LEU A 101 0.388 -1.924 -15.858 1.00 65.51 C ATOM 1687 CD1 LEU A 101 -0.799 -2.856 -15.646 1.00 61.42 C ATOM 1688 CD2 LEU A 101 -0.092 -0.511 -16.162 1.00 21.25 C ATOM 0 H LEU A 101 2.904 -2.524 -16.499 1.00 12.01 H new ATOM 0 HA LEU A 101 2.968 -2.864 -13.660 1.00 33.55 H new ATOM 0 HB2 LEU A 101 0.704 -1.930 -13.739 1.00 31.35 H new ATOM 0 HB3 LEU A 101 1.861 -0.965 -14.634 1.00 31.35 H new ATOM 0 HG LEU A 101 0.953 -2.301 -16.710 1.00 65.51 H new ATOM 0 HD11 LEU A 101 -1.437 -2.840 -16.530 1.00 61.42 H new ATOM 0 HD12 LEU A 101 -0.439 -3.871 -15.477 1.00 61.42 H new ATOM 0 HD13 LEU A 101 -1.371 -2.525 -14.779 1.00 61.42 H new ATOM 0 HD21 LEU A 101 -0.753 -0.530 -17.029 1.00 21.25 H new ATOM 0 HD22 LEU A 101 -0.633 -0.118 -15.302 1.00 21.25 H new ATOM 0 HD23 LEU A 101 0.766 0.127 -16.373 1.00 21.25 H new ATOM 1700 N SER A 102 1.525 -5.176 -15.405 1.00 72.30 N ATOM 1701 CA SER A 102 0.949 -6.507 -15.305 1.00 34.10 C ATOM 1702 C SER A 102 1.942 -7.455 -14.642 1.00 22.21 C ATOM 1703 O SER A 102 1.560 -8.337 -13.866 1.00 70.51 O ATOM 1704 CB SER A 102 0.553 -7.028 -16.691 1.00 44.21 C ATOM 1705 OG SER A 102 -0.113 -8.275 -16.602 1.00 74.23 O ATOM 0 H SER A 102 1.798 -4.901 -16.349 1.00 72.30 H new ATOM 0 HA SER A 102 0.050 -6.454 -14.692 1.00 34.10 H new ATOM 0 HB2 SER A 102 -0.094 -6.302 -17.183 1.00 44.21 H new ATOM 0 HB3 SER A 102 1.444 -7.133 -17.311 1.00 44.21 H new ATOM 0 HG SER A 102 -0.355 -8.582 -17.501 1.00 74.23 H new ATOM 1711 N GLU A 103 3.222 -7.265 -14.937 1.00 41.53 N ATOM 1712 CA GLU A 103 4.268 -8.054 -14.310 1.00 23.41 C ATOM 1713 C GLU A 103 4.457 -7.596 -12.870 1.00 10.23 C ATOM 1714 O GLU A 103 4.611 -8.410 -11.961 1.00 10.05 O ATOM 1715 CB GLU A 103 5.585 -7.928 -15.081 1.00 10.54 C ATOM 1716 CG GLU A 103 5.471 -8.260 -16.562 1.00 42.41 C ATOM 1717 CD GLU A 103 4.867 -9.624 -16.820 1.00 2.01 C ATOM 1718 OE1 GLU A 103 5.606 -10.628 -16.761 1.00 73.42 O ATOM 1719 OE2 GLU A 103 3.647 -9.698 -17.088 1.00 74.33 O ATOM 0 H GLU A 103 3.558 -6.572 -15.606 1.00 41.53 H new ATOM 0 HA GLU A 103 3.969 -9.102 -14.322 1.00 23.41 H new ATOM 0 HB2 GLU A 103 5.960 -6.910 -14.975 1.00 10.54 H new ATOM 0 HB3 GLU A 103 6.324 -8.588 -14.627 1.00 10.54 H new ATOM 0 HG2 GLU A 103 4.862 -7.501 -17.053 1.00 42.41 H new ATOM 0 HG3 GLU A 103 6.461 -8.216 -17.015 1.00 42.41 H new ATOM 1726 N ALA A 104 4.414 -6.280 -12.672 1.00 41.11 N ATOM 1727 CA ALA A 104 4.549 -5.685 -11.348 1.00 42.04 C ATOM 1728 C ALA A 104 3.404 -6.108 -10.434 1.00 21.25 C ATOM 1729 O ALA A 104 3.541 -6.099 -9.208 1.00 31.54 O ATOM 1730 CB ALA A 104 4.608 -4.166 -11.452 1.00 42.43 C ATOM 0 H ALA A 104 4.285 -5.601 -13.422 1.00 41.11 H new ATOM 0 HA ALA A 104 5.480 -6.045 -10.912 1.00 42.04 H new ATOM 0 HB1 ALA A 104 4.709 -3.737 -10.455 1.00 42.43 H new ATOM 0 HB2 ALA A 104 5.465 -3.876 -12.060 1.00 42.43 H new ATOM 0 HB3 ALA A 104 3.693 -3.797 -11.915 1.00 42.43 H new ATOM 1736 N LEU A 105 2.281 -6.481 -11.035 1.00 1.34 N ATOM 1737 CA LEU A 105 1.117 -6.933 -10.286 1.00 62.41 C ATOM 1738 C LEU A 105 1.467 -8.154 -9.438 1.00 1.51 C ATOM 1739 O LEU A 105 1.129 -8.213 -8.257 1.00 13.43 O ATOM 1740 CB LEU A 105 -0.035 -7.249 -11.255 1.00 44.32 C ATOM 1741 CG LEU A 105 -1.416 -7.477 -10.620 1.00 2.24 C ATOM 1742 CD1 LEU A 105 -2.510 -7.212 -11.640 1.00 33.44 C ATOM 1743 CD2 LEU A 105 -1.547 -8.898 -10.089 1.00 13.32 C ATOM 0 H LEU A 105 2.152 -6.479 -12.047 1.00 1.34 H new ATOM 0 HA LEU A 105 0.797 -6.138 -9.612 1.00 62.41 H new ATOM 0 HB2 LEU A 105 -0.117 -6.428 -11.968 1.00 44.32 H new ATOM 0 HB3 LEU A 105 0.231 -8.140 -11.824 1.00 44.32 H new ATOM 0 HG LEU A 105 -1.521 -6.784 -9.785 1.00 2.24 H new ATOM 0 HD11 LEU A 105 -3.484 -7.376 -11.180 1.00 33.44 H new ATOM 0 HD12 LEU A 105 -2.442 -6.181 -11.987 1.00 33.44 H new ATOM 0 HD13 LEU A 105 -2.390 -7.888 -12.486 1.00 33.44 H new ATOM 0 HD21 LEU A 105 -2.534 -9.031 -9.645 1.00 13.32 H new ATOM 0 HD22 LEU A 105 -1.419 -9.606 -10.908 1.00 13.32 H new ATOM 0 HD23 LEU A 105 -0.782 -9.076 -9.333 1.00 13.32 H new ATOM 1755 N GLU A 106 2.175 -9.111 -10.028 1.00 34.22 N ATOM 1756 CA GLU A 106 2.508 -10.339 -9.318 1.00 51.34 C ATOM 1757 C GLU A 106 3.608 -10.078 -8.294 1.00 75.01 C ATOM 1758 O GLU A 106 3.764 -10.832 -7.334 1.00 44.22 O ATOM 1759 CB GLU A 106 2.917 -11.455 -10.297 1.00 62.43 C ATOM 1760 CG GLU A 106 4.328 -11.336 -10.864 1.00 5.51 C ATOM 1761 CD GLU A 106 5.302 -12.316 -10.227 1.00 23.22 C ATOM 1762 OE1 GLU A 106 5.204 -13.530 -10.513 1.00 62.54 O ATOM 1763 OE2 GLU A 106 6.178 -11.882 -9.446 1.00 14.05 O ATOM 0 H GLU A 106 2.526 -9.061 -10.985 1.00 34.22 H new ATOM 0 HA GLU A 106 1.618 -10.678 -8.788 1.00 51.34 H new ATOM 0 HB2 GLU A 106 2.827 -12.414 -9.787 1.00 62.43 H new ATOM 0 HB3 GLU A 106 2.209 -11.467 -11.126 1.00 62.43 H new ATOM 0 HG2 GLU A 106 4.298 -11.507 -11.940 1.00 5.51 H new ATOM 0 HG3 GLU A 106 4.691 -10.319 -10.713 1.00 5.51 H new ATOM 1770 N LYS A 107 4.355 -8.994 -8.491 1.00 3.40 N ATOM 1771 CA LYS A 107 5.426 -8.639 -7.570 1.00 15.31 C ATOM 1772 C LYS A 107 4.837 -8.260 -6.221 1.00 73.10 C ATOM 1773 O LYS A 107 5.196 -8.833 -5.196 1.00 60.34 O ATOM 1774 CB LYS A 107 6.280 -7.475 -8.099 1.00 71.15 C ATOM 1775 CG LYS A 107 6.672 -7.586 -9.569 1.00 72.30 C ATOM 1776 CD LYS A 107 7.186 -8.969 -9.936 1.00 41.11 C ATOM 1777 CE LYS A 107 8.403 -9.370 -9.125 1.00 20.53 C ATOM 1778 NZ LYS A 107 8.798 -10.773 -9.407 1.00 63.24 N ATOM 0 H LYS A 107 4.238 -8.352 -9.275 1.00 3.40 H new ATOM 0 HA LYS A 107 6.074 -9.510 -7.469 1.00 15.31 H new ATOM 0 HB2 LYS A 107 5.731 -6.545 -7.953 1.00 71.15 H new ATOM 0 HB3 LYS A 107 7.188 -7.407 -7.499 1.00 71.15 H new ATOM 0 HG2 LYS A 107 5.809 -7.347 -10.190 1.00 72.30 H new ATOM 0 HG3 LYS A 107 7.440 -6.846 -9.793 1.00 72.30 H new ATOM 0 HD2 LYS A 107 6.393 -9.701 -9.781 1.00 41.11 H new ATOM 0 HD3 LYS A 107 7.437 -8.990 -10.997 1.00 41.11 H new ATOM 0 HE2 LYS A 107 9.233 -8.702 -9.356 1.00 20.53 H new ATOM 0 HE3 LYS A 107 8.189 -9.256 -8.062 1.00 20.53 H new ATOM 0 HZ1 LYS A 107 9.416 -11.119 -8.646 1.00 63.24 H new ATOM 0 HZ2 LYS A 107 7.947 -11.369 -9.461 1.00 63.24 H new ATOM 0 HZ3 LYS A 107 9.308 -10.815 -10.313 1.00 63.24 H new ATOM 1792 N LEU A 108 3.910 -7.309 -6.236 1.00 42.22 N ATOM 1793 CA LEU A 108 3.287 -6.835 -5.009 1.00 11.40 C ATOM 1794 C LEU A 108 2.312 -7.868 -4.445 1.00 32.41 C ATOM 1795 O LEU A 108 2.133 -7.962 -3.228 1.00 0.13 O ATOM 1796 CB LEU A 108 2.597 -5.479 -5.242 1.00 24.40 C ATOM 1797 CG LEU A 108 1.575 -5.421 -6.387 1.00 1.33 C ATOM 1798 CD1 LEU A 108 0.195 -5.855 -5.913 1.00 62.53 C ATOM 1799 CD2 LEU A 108 1.519 -4.019 -6.978 1.00 5.22 C ATOM 0 H LEU A 108 3.575 -6.852 -7.084 1.00 42.22 H new ATOM 0 HA LEU A 108 4.070 -6.691 -4.265 1.00 11.40 H new ATOM 0 HB2 LEU A 108 2.094 -5.189 -4.320 1.00 24.40 H new ATOM 0 HB3 LEU A 108 3.367 -4.732 -5.433 1.00 24.40 H new ATOM 0 HG LEU A 108 1.898 -6.115 -7.163 1.00 1.33 H new ATOM 0 HD11 LEU A 108 -0.508 -5.804 -6.744 1.00 62.53 H new ATOM 0 HD12 LEU A 108 0.243 -6.878 -5.541 1.00 62.53 H new ATOM 0 HD13 LEU A 108 -0.140 -5.194 -5.114 1.00 62.53 H new ATOM 0 HD21 LEU A 108 0.790 -3.995 -7.788 1.00 5.22 H new ATOM 0 HD22 LEU A 108 1.226 -3.309 -6.204 1.00 5.22 H new ATOM 0 HD23 LEU A 108 2.501 -3.748 -7.365 1.00 5.22 H new ATOM 1811 N TRP A 109 1.697 -8.648 -5.327 1.00 52.44 N ATOM 1812 CA TRP A 109 0.766 -9.689 -4.906 1.00 4.44 C ATOM 1813 C TRP A 109 1.487 -10.778 -4.124 1.00 43.44 C ATOM 1814 O TRP A 109 1.170 -11.033 -2.964 1.00 52.41 O ATOM 1815 CB TRP A 109 0.048 -10.294 -6.121 1.00 41.52 C ATOM 1816 CG TRP A 109 -0.742 -11.531 -5.805 1.00 72.13 C ATOM 1817 CD1 TRP A 109 -0.606 -12.759 -6.389 1.00 43.52 C ATOM 1818 CD2 TRP A 109 -1.776 -11.670 -4.820 1.00 72.14 C ATOM 1819 NE1 TRP A 109 -1.495 -13.646 -5.838 1.00 25.14 N ATOM 1820 CE2 TRP A 109 -2.222 -13.003 -4.869 1.00 52.11 C ATOM 1821 CE3 TRP A 109 -2.370 -10.795 -3.900 1.00 33.24 C ATOM 1822 CZ2 TRP A 109 -3.231 -13.484 -4.035 1.00 60.51 C ATOM 1823 CZ3 TRP A 109 -3.369 -11.276 -3.073 1.00 13.03 C ATOM 1824 CH2 TRP A 109 -3.789 -12.607 -3.147 1.00 3.11 C ATOM 0 H TRP A 109 1.826 -8.580 -6.337 1.00 52.44 H new ATOM 0 HA TRP A 109 0.023 -9.232 -4.253 1.00 4.44 H new ATOM 0 HB2 TRP A 109 -0.621 -9.546 -6.545 1.00 41.52 H new ATOM 0 HB3 TRP A 109 0.787 -10.532 -6.886 1.00 41.52 H new ATOM 0 HD1 TRP A 109 0.100 -12.997 -7.171 1.00 43.52 H new ATOM 0 HE1 TRP A 109 -1.599 -14.625 -6.105 1.00 25.14 H new ATOM 0 HE3 TRP A 109 -2.053 -9.764 -3.838 1.00 33.24 H new ATOM 0 HZ2 TRP A 109 -3.559 -14.511 -4.089 1.00 60.51 H new ATOM 0 HZ3 TRP A 109 -3.832 -10.612 -2.358 1.00 13.03 H new ATOM 0 HH2 TRP A 109 -4.572 -12.951 -2.488 1.00 3.11 H new ATOM 1835 N ARG A 110 2.474 -11.402 -4.753 1.00 4.14 N ATOM 1836 CA ARG A 110 3.195 -12.504 -4.130 1.00 23.44 C ATOM 1837 C ARG A 110 4.009 -12.009 -2.937 1.00 22.21 C ATOM 1838 O ARG A 110 4.309 -12.772 -2.017 1.00 44.44 O ATOM 1839 CB ARG A 110 4.086 -13.199 -5.162 1.00 45.21 C ATOM 1840 CG ARG A 110 3.304 -13.728 -6.354 1.00 25.14 C ATOM 1841 CD ARG A 110 4.218 -14.225 -7.463 1.00 22.44 C ATOM 1842 NE ARG A 110 4.917 -15.459 -7.108 1.00 22.31 N ATOM 1843 CZ ARG A 110 5.959 -15.951 -7.786 1.00 32.32 C ATOM 1844 NH1 ARG A 110 6.430 -15.309 -8.849 1.00 21.45 N ATOM 1845 NH2 ARG A 110 6.519 -17.095 -7.411 1.00 12.02 N ATOM 0 H ARG A 110 2.793 -11.165 -5.692 1.00 4.14 H new ATOM 0 HA ARG A 110 2.474 -13.232 -3.758 1.00 23.44 H new ATOM 0 HB2 ARG A 110 4.843 -12.498 -5.512 1.00 45.21 H new ATOM 0 HB3 ARG A 110 4.613 -14.025 -4.683 1.00 45.21 H new ATOM 0 HG2 ARG A 110 2.654 -14.541 -6.029 1.00 25.14 H new ATOM 0 HG3 ARG A 110 2.659 -12.940 -6.742 1.00 25.14 H new ATOM 0 HD2 ARG A 110 3.630 -14.392 -8.365 1.00 22.44 H new ATOM 0 HD3 ARG A 110 4.950 -13.452 -7.698 1.00 22.44 H new ATOM 0 HE ARG A 110 4.589 -15.977 -6.292 1.00 22.31 H new ATOM 0 HH11 ARG A 110 5.997 -14.437 -9.151 1.00 21.45 H new ATOM 0 HH12 ARG A 110 7.225 -15.688 -9.363 1.00 21.45 H new ATOM 0 HH21 ARG A 110 6.154 -17.601 -6.604 1.00 12.02 H new ATOM 0 HH22 ARG A 110 7.314 -17.468 -7.930 1.00 12.02 H new ATOM 1859 N ARG A 111 4.336 -10.721 -2.943 1.00 63.40 N ATOM 1860 CA ARG A 111 5.049 -10.108 -1.827 1.00 75.41 C ATOM 1861 C ARG A 111 4.147 -10.033 -0.598 1.00 41.54 C ATOM 1862 O ARG A 111 4.593 -10.245 0.527 1.00 30.24 O ATOM 1863 CB ARG A 111 5.513 -8.700 -2.199 1.00 2.23 C ATOM 1864 CG ARG A 111 6.615 -8.161 -1.300 1.00 5.42 C ATOM 1865 CD ARG A 111 7.956 -8.801 -1.622 1.00 5.30 C ATOM 1866 NE ARG A 111 8.425 -8.427 -2.957 1.00 22.00 N ATOM 1867 CZ ARG A 111 8.797 -9.296 -3.896 1.00 75.34 C ATOM 1868 NH1 ARG A 111 8.744 -10.600 -3.660 1.00 5.32 N ATOM 1869 NH2 ARG A 111 9.217 -8.851 -5.073 1.00 2.33 N ATOM 0 H ARG A 111 4.119 -10.081 -3.707 1.00 63.40 H new ATOM 0 HA ARG A 111 5.919 -10.725 -1.600 1.00 75.41 H new ATOM 0 HB2 ARG A 111 5.867 -8.704 -3.230 1.00 2.23 H new ATOM 0 HB3 ARG A 111 4.660 -8.023 -2.158 1.00 2.23 H new ATOM 0 HG2 ARG A 111 6.688 -7.080 -1.419 1.00 5.42 H new ATOM 0 HG3 ARG A 111 6.361 -8.350 -0.257 1.00 5.42 H new ATOM 0 HD2 ARG A 111 8.693 -8.497 -0.879 1.00 5.30 H new ATOM 0 HD3 ARG A 111 7.867 -9.885 -1.558 1.00 5.30 H new ATOM 0 HE ARG A 111 8.470 -7.434 -3.184 1.00 22.00 H new ATOM 0 HH11 ARG A 111 8.417 -10.942 -2.756 1.00 5.32 H new ATOM 0 HH12 ARG A 111 9.030 -11.261 -4.382 1.00 5.32 H new ATOM 0 HH21 ARG A 111 9.254 -7.848 -5.255 1.00 2.33 H new ATOM 0 HH22 ARG A 111 9.503 -9.512 -5.796 1.00 2.33 H new ATOM 1883 N HIS A 112 2.874 -9.724 -0.822 1.00 12.24 N ATOM 1884 CA HIS A 112 1.915 -9.623 0.273 1.00 54.15 C ATOM 1885 C HIS A 112 1.322 -10.982 0.610 1.00 53.43 C ATOM 1886 O HIS A 112 0.819 -11.182 1.710 1.00 73.14 O ATOM 1887 CB HIS A 112 0.794 -8.634 -0.057 1.00 5.44 C ATOM 1888 CG HIS A 112 1.179 -7.200 0.155 1.00 74.21 C ATOM 1889 ND1 HIS A 112 0.709 -6.437 1.207 1.00 63.31 N ATOM 1890 CD2 HIS A 112 2.004 -6.392 -0.549 1.00 11.11 C ATOM 1891 CE1 HIS A 112 1.234 -5.227 1.137 1.00 40.14 C ATOM 1892 NE2 HIS A 112 2.023 -5.173 0.080 1.00 12.23 N ATOM 0 H HIS A 112 2.484 -9.540 -1.746 1.00 12.24 H new ATOM 0 HA HIS A 112 2.458 -9.253 1.143 1.00 54.15 H new ATOM 0 HB2 HIS A 112 0.493 -8.771 -1.096 1.00 5.44 H new ATOM 0 HB3 HIS A 112 -0.075 -8.863 0.559 1.00 5.44 H new ATOM 0 HD2 HIS A 112 2.548 -6.658 -1.443 1.00 11.11 H new ATOM 0 HE1 HIS A 112 1.049 -4.418 1.828 1.00 40.14 H new ATOM 0 HE2 HIS A 112 2.559 -4.359 -0.220 1.00 12.23 H new ATOM 1901 N CYS A 113 1.384 -11.907 -0.339 1.00 53.21 N ATOM 1902 CA CYS A 113 0.894 -13.261 -0.120 1.00 75.04 C ATOM 1903 C CYS A 113 1.617 -13.905 1.064 1.00 5.21 C ATOM 1904 O CYS A 113 0.990 -14.470 1.958 1.00 61.44 O ATOM 1905 CB CYS A 113 1.092 -14.100 -1.387 1.00 63.53 C ATOM 1906 SG CYS A 113 0.383 -15.763 -1.302 1.00 2.45 S ATOM 0 H CYS A 113 1.769 -11.744 -1.269 1.00 53.21 H new ATOM 0 HA CYS A 113 -0.170 -13.217 0.110 1.00 75.04 H new ATOM 0 HB2 CYS A 113 0.648 -13.572 -2.231 1.00 63.53 H new ATOM 0 HB3 CYS A 113 2.160 -14.184 -1.589 1.00 63.53 H new ATOM 0 HG CYS A 113 0.603 -16.386 -2.421 1.00 2.45 H new ATOM 1912 N ARG A 114 2.938 -13.775 1.079 1.00 13.24 N ATOM 1913 CA ARG A 114 3.750 -14.344 2.148 1.00 13.33 C ATOM 1914 C ARG A 114 3.881 -13.368 3.318 1.00 33.22 C ATOM 1915 O ARG A 114 4.607 -13.626 4.278 1.00 41.41 O ATOM 1916 CB ARG A 114 5.134 -14.730 1.613 1.00 51.25 C ATOM 1917 CG ARG A 114 5.088 -15.808 0.541 1.00 0.44 C ATOM 1918 CD ARG A 114 4.523 -17.109 1.083 1.00 30.34 C ATOM 1919 NE ARG A 114 4.253 -18.073 0.017 1.00 64.41 N ATOM 1920 CZ ARG A 114 3.849 -19.325 0.224 1.00 1.34 C ATOM 1921 NH1 ARG A 114 3.767 -19.810 1.454 1.00 44.33 N ATOM 1922 NH2 ARG A 114 3.558 -20.105 -0.804 1.00 52.33 N ATOM 0 H ARG A 114 3.470 -13.280 0.363 1.00 13.24 H new ATOM 0 HA ARG A 114 3.251 -15.241 2.514 1.00 13.33 H new ATOM 0 HB2 ARG A 114 5.618 -13.843 1.205 1.00 51.25 H new ATOM 0 HB3 ARG A 114 5.752 -15.078 2.441 1.00 51.25 H new ATOM 0 HG2 ARG A 114 4.478 -15.465 -0.295 1.00 0.44 H new ATOM 0 HG3 ARG A 114 6.092 -15.980 0.153 1.00 0.44 H new ATOM 0 HD2 ARG A 114 5.227 -17.542 1.794 1.00 30.34 H new ATOM 0 HD3 ARG A 114 3.602 -16.905 1.630 1.00 30.34 H new ATOM 0 HE ARG A 114 4.382 -17.767 -0.947 1.00 64.41 H new ATOM 0 HH11 ARG A 114 4.014 -19.223 2.251 1.00 44.33 H new ATOM 0 HH12 ARG A 114 3.457 -20.770 1.604 1.00 44.33 H new ATOM 0 HH21 ARG A 114 3.643 -19.748 -1.756 1.00 52.33 H new ATOM 0 HH22 ARG A 114 3.249 -21.064 -0.645 1.00 52.33 H new ATOM 1936 N LEU A 115 3.170 -12.252 3.235 1.00 72.34 N ATOM 1937 CA LEU A 115 3.178 -11.259 4.300 1.00 43.31 C ATOM 1938 C LEU A 115 1.886 -11.340 5.103 1.00 21.33 C ATOM 1939 O LEU A 115 1.904 -11.332 6.330 1.00 70.11 O ATOM 1940 CB LEU A 115 3.348 -9.851 3.725 1.00 25.24 C ATOM 1941 CG LEU A 115 3.415 -8.730 4.766 1.00 50.11 C ATOM 1942 CD1 LEU A 115 4.653 -8.880 5.638 1.00 42.24 C ATOM 1943 CD2 LEU A 115 3.394 -7.371 4.088 1.00 60.10 C ATOM 0 H LEU A 115 2.579 -12.011 2.439 1.00 72.34 H new ATOM 0 HA LEU A 115 4.021 -11.469 4.958 1.00 43.31 H new ATOM 0 HB2 LEU A 115 4.259 -9.826 3.128 1.00 25.24 H new ATOM 0 HB3 LEU A 115 2.518 -9.649 3.048 1.00 25.24 H new ATOM 0 HG LEU A 115 2.537 -8.804 5.408 1.00 50.11 H new ATOM 0 HD11 LEU A 115 4.682 -8.074 6.371 1.00 42.24 H new ATOM 0 HD12 LEU A 115 4.620 -9.839 6.155 1.00 42.24 H new ATOM 0 HD13 LEU A 115 5.545 -8.835 5.014 1.00 42.24 H new ATOM 0 HD21 LEU A 115 3.442 -6.587 4.843 1.00 60.10 H new ATOM 0 HD22 LEU A 115 4.251 -7.284 3.420 1.00 60.10 H new ATOM 0 HD23 LEU A 115 2.474 -7.265 3.513 1.00 60.10 H new ATOM 1955 N ALA A 116 0.767 -11.430 4.393 1.00 52.51 N ATOM 1956 CA ALA A 116 -0.540 -11.515 5.026 1.00 74.25 C ATOM 1957 C ALA A 116 -0.696 -12.834 5.768 1.00 13.44 C ATOM 1958 O ALA A 116 -1.374 -12.911 6.790 1.00 41.11 O ATOM 1959 CB ALA A 116 -1.638 -11.355 3.986 1.00 25.10 C ATOM 0 H ALA A 116 0.741 -11.446 3.373 1.00 52.51 H new ATOM 0 HA ALA A 116 -0.625 -10.706 5.752 1.00 74.25 H new ATOM 0 HB1 ALA A 116 -2.612 -11.420 4.472 1.00 25.10 H new ATOM 0 HB2 ALA A 116 -1.540 -10.385 3.499 1.00 25.10 H new ATOM 0 HB3 ALA A 116 -1.551 -12.145 3.240 1.00 25.10 H new ATOM 1965 N ARG A 117 -0.065 -13.873 5.246 1.00 40.30 N ATOM 1966 CA ARG A 117 -0.087 -15.173 5.890 1.00 41.22 C ATOM 1967 C ARG A 117 1.333 -15.611 6.217 1.00 45.04 C ATOM 1968 O ARG A 117 1.994 -16.282 5.420 1.00 44.55 O ATOM 1969 CB ARG A 117 -0.791 -16.204 5.005 1.00 45.34 C ATOM 1970 CG ARG A 117 -2.215 -15.808 4.655 1.00 32.11 C ATOM 1971 CD ARG A 117 -2.911 -16.858 3.806 1.00 22.55 C ATOM 1972 NE ARG A 117 -4.246 -16.420 3.392 1.00 4.51 N ATOM 1973 CZ ARG A 117 -5.300 -17.232 3.267 1.00 44.00 C ATOM 1974 NH1 ARG A 117 -5.189 -18.529 3.532 1.00 54.24 N ATOM 1975 NH2 ARG A 117 -6.468 -16.738 2.885 1.00 51.45 N ATOM 0 H ARG A 117 0.469 -13.840 4.377 1.00 40.30 H new ATOM 0 HA ARG A 117 -0.650 -15.097 6.820 1.00 41.22 H new ATOM 0 HB2 ARG A 117 -0.220 -16.337 4.086 1.00 45.34 H new ATOM 0 HB3 ARG A 117 -0.802 -17.167 5.516 1.00 45.34 H new ATOM 0 HG2 ARG A 117 -2.782 -15.651 5.572 1.00 32.11 H new ATOM 0 HG3 ARG A 117 -2.205 -14.859 4.120 1.00 32.11 H new ATOM 0 HD2 ARG A 117 -2.308 -17.071 2.924 1.00 22.55 H new ATOM 0 HD3 ARG A 117 -2.991 -17.788 4.370 1.00 22.55 H new ATOM 0 HE ARG A 117 -4.380 -15.430 3.186 1.00 4.51 H new ATOM 0 HH11 ARG A 117 -4.294 -18.913 3.834 1.00 54.24 H new ATOM 0 HH12 ARG A 117 -5.999 -19.141 3.434 1.00 54.24 H new ATOM 0 HH21 ARG A 117 -6.560 -15.742 2.688 1.00 51.45 H new ATOM 0 HH22 ARG A 117 -7.275 -17.354 2.788 1.00 51.45 H new