USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 856 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 52 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 2.1: A 52 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Set 2.2: B 29 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 110:sc= -2 USER MOD Single : A 24 HIS : no HD1:sc=-0.00743 X(o=-0.0074,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.29 F(o=-0.89,f=-0.29) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 91:sc= -1.77! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 161:sc= -0.0532 (180deg=-0.629) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.29) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.98) USER MOD Single : A 63 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= -1.57! (180deg=-1.64!) USER MOD Single : A 71 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.41) USER MOD Single : A 72 ASN :FLIP amide:sc= -3.69! C(o=-6.5!,f=-3.7!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 110:sc= -2 USER MOD Single : B 24 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.0074) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.749 X(o=-0.75,f=-0.27) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 99:sc= -1.81! USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 54 MET CE :methyl 161:sc= -0.0503 (180deg=-0.612) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.27) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 62 GLN : amide:sc= -0.151 K(o=-0.15,f=-1) USER MOD Single : B 63 GLN : amide:sc= -0.265 X(o=-0.27,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 172:sc= -1.61! (180deg=-1.66!) USER MOD Single : B 71 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.42) USER MOD Single : B 72 ASN : amide:sc= -3.92! C(o=-3.9!,f=-10!) USER MOD Single : B 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 313 N ILE A 19 124.960 4.090 2.637 1.00 1.72 N ATOM 314 CA ILE A 19 126.356 3.967 3.133 1.00 1.09 C ATOM 315 C ILE A 19 126.362 3.248 4.480 1.00 0.98 C ATOM 316 O ILE A 19 126.979 2.218 4.605 1.00 1.27 O ATOM 317 CB ILE A 19 126.943 5.382 3.228 1.00 0.98 C ATOM 318 CG1 ILE A 19 126.037 6.325 4.018 1.00 1.49 C ATOM 319 CG2 ILE A 19 127.132 5.934 1.814 1.00 1.01 C ATOM 320 CD1 ILE A 19 126.513 7.754 3.762 1.00 1.40 C ATOM 0 HA ILE A 19 126.970 3.374 2.455 1.00 1.09 H new ATOM 0 HB ILE A 19 127.896 5.319 3.753 1.00 0.98 H new ATOM 0 HG12 ILE A 19 124.999 6.207 3.707 1.00 1.49 H new ATOM 0 HG13 ILE A 19 126.080 6.093 5.082 1.00 1.49 H new ATOM 0 HG21 ILE A 19 127.549 6.940 1.869 1.00 1.01 H new ATOM 0 HG22 ILE A 19 127.813 5.289 1.259 1.00 1.01 H new ATOM 0 HG23 ILE A 19 126.169 5.968 1.305 1.00 1.01 H new ATOM 0 HD11 ILE A 19 125.883 8.452 4.314 1.00 1.40 H new ATOM 0 HD12 ILE A 19 127.546 7.858 4.092 1.00 1.40 H new ATOM 0 HD13 ILE A 19 126.449 7.973 2.696 1.00 1.40 H new ATOM 332 N LYS A 20 125.672 3.762 5.475 1.00 1.14 N ATOM 333 CA LYS A 20 125.633 3.072 6.816 1.00 1.56 C ATOM 334 C LYS A 20 125.835 1.565 6.644 1.00 1.34 C ATOM 335 O LYS A 20 126.712 0.974 7.242 1.00 1.27 O ATOM 336 CB LYS A 20 124.242 3.348 7.373 1.00 2.22 C ATOM 337 CG LYS A 20 124.117 4.829 7.733 1.00 2.75 C ATOM 338 CD LYS A 20 124.362 5.011 9.232 1.00 3.61 C ATOM 339 CE LYS A 20 123.152 4.496 10.015 1.00 4.17 C ATOM 340 NZ LYS A 20 122.636 5.683 10.753 1.00 4.71 N ATOM 0 H LYS A 20 125.134 4.627 5.420 1.00 1.14 H new ATOM 0 HA LYS A 20 126.420 3.433 7.478 1.00 1.56 H new ATOM 0 HB2 LYS A 20 123.485 3.077 6.637 1.00 2.22 H new ATOM 0 HB3 LYS A 20 124.064 2.733 8.255 1.00 2.22 H new ATOM 0 HG2 LYS A 20 124.837 5.415 7.162 1.00 2.75 H new ATOM 0 HG3 LYS A 20 123.125 5.196 7.468 1.00 2.75 H new ATOM 0 HD2 LYS A 20 125.260 4.470 9.533 1.00 3.61 H new ATOM 0 HD3 LYS A 20 124.533 6.064 9.458 1.00 3.61 H new ATOM 0 HE2 LYS A 20 122.394 4.087 9.347 1.00 4.17 H new ATOM 0 HE3 LYS A 20 123.436 3.698 10.701 1.00 4.17 H new ATOM 0 HZ1 LYS A 20 121.804 5.408 11.314 1.00 4.71 H new ATOM 0 HZ2 LYS A 20 123.376 6.047 11.387 1.00 4.71 H new ATOM 0 HZ3 LYS A 20 122.367 6.424 10.074 1.00 4.71 H new ATOM 354 N ASP A 21 125.054 0.945 5.799 1.00 1.44 N ATOM 355 CA ASP A 21 125.244 -0.512 5.564 1.00 1.43 C ATOM 356 C ASP A 21 126.697 -0.733 5.148 1.00 1.20 C ATOM 357 O ASP A 21 127.458 -1.407 5.818 1.00 1.26 O ATOM 358 CB ASP A 21 124.290 -0.864 4.423 1.00 1.76 C ATOM 359 CG ASP A 21 122.944 -1.308 4.999 1.00 2.21 C ATOM 360 OD1 ASP A 21 122.668 -0.968 6.138 1.00 2.76 O ATOM 361 OD2 ASP A 21 122.211 -1.979 4.291 1.00 2.74 O ATOM 0 H ASP A 21 124.301 1.381 5.267 1.00 1.44 H new ATOM 0 HA ASP A 21 125.041 -1.127 6.441 1.00 1.43 H new ATOM 0 HB2 ASP A 21 124.152 -0.001 3.772 1.00 1.76 H new ATOM 0 HB3 ASP A 21 124.716 -1.660 3.812 1.00 1.76 H new ATOM 366 N SER A 22 127.103 -0.130 4.062 1.00 1.03 N ATOM 367 CA SER A 22 128.520 -0.271 3.635 1.00 0.91 C ATOM 368 C SER A 22 129.413 0.207 4.781 1.00 0.85 C ATOM 369 O SER A 22 130.355 -0.453 5.172 1.00 0.89 O ATOM 370 CB SER A 22 128.664 0.637 2.414 1.00 0.82 C ATOM 371 OG SER A 22 130.008 1.087 2.319 1.00 1.64 O ATOM 0 H SER A 22 126.518 0.449 3.459 1.00 1.03 H new ATOM 0 HA SER A 22 128.801 -1.296 3.392 1.00 0.91 H new ATOM 0 HB2 SER A 22 128.385 0.096 1.510 1.00 0.82 H new ATOM 0 HB3 SER A 22 127.988 1.488 2.498 1.00 0.82 H new ATOM 0 HG SER A 22 130.441 0.664 1.548 1.00 1.64 H new ATOM 377 N PHE A 23 129.095 1.345 5.342 1.00 0.85 N ATOM 378 CA PHE A 23 129.889 1.865 6.486 1.00 0.87 C ATOM 379 C PHE A 23 130.163 0.716 7.452 1.00 0.89 C ATOM 380 O PHE A 23 131.297 0.407 7.756 1.00 0.90 O ATOM 381 CB PHE A 23 128.988 2.903 7.156 1.00 0.95 C ATOM 382 CG PHE A 23 129.248 4.285 6.599 1.00 1.01 C ATOM 383 CD1 PHE A 23 130.552 4.711 6.315 1.00 1.67 C ATOM 384 CD2 PHE A 23 128.173 5.157 6.390 1.00 1.61 C ATOM 385 CE1 PHE A 23 130.767 6.000 5.820 1.00 1.93 C ATOM 386 CE2 PHE A 23 128.393 6.440 5.899 1.00 1.84 C ATOM 387 CZ PHE A 23 129.684 6.863 5.615 1.00 1.66 C ATOM 0 H PHE A 23 128.316 1.936 5.053 1.00 0.85 H new ATOM 0 HA PHE A 23 130.844 2.294 6.181 1.00 0.87 H new ATOM 0 HB2 PHE A 23 127.942 2.636 7.003 1.00 0.95 H new ATOM 0 HB3 PHE A 23 129.163 2.902 8.232 1.00 0.95 H new ATOM 0 HD1 PHE A 23 131.387 4.046 6.478 1.00 1.67 H new ATOM 0 HD2 PHE A 23 127.167 4.832 6.611 1.00 1.61 H new ATOM 0 HE1 PHE A 23 131.770 6.331 5.595 1.00 1.93 H new ATOM 0 HE2 PHE A 23 127.559 7.107 5.739 1.00 1.84 H new ATOM 0 HZ PHE A 23 129.853 7.860 5.235 1.00 1.66 H new ATOM 397 N HIS A 24 129.123 0.070 7.926 1.00 0.97 N ATOM 398 CA HIS A 24 129.327 -1.074 8.860 1.00 1.05 C ATOM 399 C HIS A 24 130.484 -1.932 8.347 1.00 0.96 C ATOM 400 O HIS A 24 131.388 -2.276 9.082 1.00 0.98 O ATOM 401 CB HIS A 24 128.008 -1.855 8.843 1.00 1.21 C ATOM 402 CG HIS A 24 128.245 -3.272 9.293 1.00 1.53 C ATOM 403 ND1 HIS A 24 127.939 -4.362 8.493 1.00 1.98 N ATOM 404 CD2 HIS A 24 128.761 -3.793 10.454 1.00 2.05 C ATOM 405 CE1 HIS A 24 128.270 -5.473 9.176 1.00 2.27 C ATOM 406 NE2 HIS A 24 128.776 -5.183 10.378 1.00 2.31 N ATOM 0 H HIS A 24 128.151 0.286 7.706 1.00 0.97 H new ATOM 0 HA HIS A 24 129.577 -0.758 9.873 1.00 1.05 H new ATOM 0 HB2 HIS A 24 127.282 -1.373 9.498 1.00 1.21 H new ATOM 0 HB3 HIS A 24 127.585 -1.849 7.838 1.00 1.21 H new ATOM 0 HD2 HIS A 24 129.103 -3.213 11.298 1.00 2.05 H new ATOM 0 HE1 HIS A 24 128.142 -6.477 8.799 1.00 2.27 H new ATOM 0 HE2 HIS A 24 129.103 -5.839 11.087 1.00 2.31 H new ATOM 414 N SER A 25 130.480 -2.255 7.081 1.00 0.96 N ATOM 415 CA SER A 25 131.605 -3.061 6.530 1.00 0.97 C ATOM 416 C SER A 25 132.895 -2.249 6.663 1.00 0.91 C ATOM 417 O SER A 25 133.895 -2.718 7.177 1.00 0.96 O ATOM 418 CB SER A 25 131.256 -3.292 5.061 1.00 1.11 C ATOM 419 OG SER A 25 131.405 -4.673 4.757 1.00 1.74 O ATOM 0 H SER A 25 129.754 -1.998 6.412 1.00 0.96 H new ATOM 0 HA SER A 25 131.750 -4.008 7.050 1.00 0.97 H new ATOM 0 HB2 SER A 25 130.233 -2.972 4.863 1.00 1.11 H new ATOM 0 HB3 SER A 25 131.906 -2.694 4.422 1.00 1.11 H new ATOM 0 HG SER A 25 131.180 -4.827 3.816 1.00 1.74 H new ATOM 425 N LEU A 26 132.867 -1.017 6.231 1.00 0.89 N ATOM 426 CA LEU A 26 134.075 -0.163 6.363 1.00 0.96 C ATOM 427 C LEU A 26 134.513 -0.170 7.827 1.00 0.94 C ATOM 428 O LEU A 26 135.690 -0.213 8.145 1.00 1.07 O ATOM 429 CB LEU A 26 133.622 1.230 5.926 1.00 1.05 C ATOM 430 CG LEU A 26 133.809 1.369 4.416 1.00 1.30 C ATOM 431 CD1 LEU A 26 132.541 1.956 3.796 1.00 1.74 C ATOM 432 CD2 LEU A 26 134.994 2.294 4.126 1.00 1.37 C ATOM 0 H LEU A 26 132.061 -0.569 5.794 1.00 0.89 H new ATOM 0 HA LEU A 26 134.920 -0.503 5.764 1.00 0.96 H new ATOM 0 HB2 LEU A 26 132.576 1.385 6.191 1.00 1.05 H new ATOM 0 HB3 LEU A 26 134.199 1.993 6.448 1.00 1.05 H new ATOM 0 HG LEU A 26 134.004 0.387 3.985 1.00 1.30 H new ATOM 0 HD11 LEU A 26 132.675 2.055 2.719 1.00 1.74 H new ATOM 0 HD12 LEU A 26 131.698 1.295 3.998 1.00 1.74 H new ATOM 0 HD13 LEU A 26 132.345 2.937 4.229 1.00 1.74 H new ATOM 0 HD21 LEU A 26 135.125 2.391 3.048 1.00 1.37 H new ATOM 0 HD22 LEU A 26 134.803 3.276 4.558 1.00 1.37 H new ATOM 0 HD23 LEU A 26 135.899 1.874 4.565 1.00 1.37 H new ATOM 444 N ARG A 27 133.562 -0.165 8.724 1.00 0.86 N ATOM 445 CA ARG A 27 133.905 -0.213 10.169 1.00 0.94 C ATOM 446 C ARG A 27 134.824 -1.408 10.398 1.00 0.93 C ATOM 447 O ARG A 27 135.709 -1.382 11.229 1.00 1.10 O ATOM 448 CB ARG A 27 132.570 -0.412 10.890 1.00 0.98 C ATOM 449 CG ARG A 27 132.688 0.073 12.336 1.00 1.26 C ATOM 450 CD ARG A 27 132.442 1.582 12.390 1.00 1.39 C ATOM 451 NE ARG A 27 132.024 1.854 13.793 1.00 1.64 N ATOM 452 CZ ARG A 27 132.365 2.973 14.369 1.00 1.63 C ATOM 453 NH1 ARG A 27 131.756 4.084 14.051 1.00 1.82 N ATOM 454 NH2 ARG A 27 133.314 2.982 15.263 1.00 2.26 N ATOM 0 H ARG A 27 132.564 -0.130 8.515 1.00 0.86 H new ATOM 0 HA ARG A 27 134.414 0.683 10.526 1.00 0.94 H new ATOM 0 HB2 ARG A 27 131.782 0.138 10.375 1.00 0.98 H new ATOM 0 HB3 ARG A 27 132.289 -1.465 10.871 1.00 0.98 H new ATOM 0 HG2 ARG A 27 131.965 -0.447 12.965 1.00 1.26 H new ATOM 0 HG3 ARG A 27 133.678 -0.159 12.729 1.00 1.26 H new ATOM 0 HD2 ARG A 27 133.343 2.138 12.132 1.00 1.39 H new ATOM 0 HD3 ARG A 27 131.669 1.881 11.683 1.00 1.39 H new ATOM 0 HE ARG A 27 131.471 1.165 14.303 1.00 1.64 H new ATOM 0 HH11 ARG A 27 131.013 4.076 13.352 1.00 1.82 H new ATOM 0 HH12 ARG A 27 132.023 4.959 14.502 1.00 1.82 H new ATOM 0 HH21 ARG A 27 133.789 2.114 15.511 1.00 2.26 H new ATOM 0 HH22 ARG A 27 133.581 3.857 15.714 1.00 2.26 H new ATOM 468 N ASP A 28 134.624 -2.452 9.639 1.00 0.89 N ATOM 469 CA ASP A 28 135.490 -3.650 9.776 1.00 0.93 C ATOM 470 C ASP A 28 136.900 -3.297 9.309 1.00 0.90 C ATOM 471 O ASP A 28 137.874 -3.876 9.746 1.00 1.02 O ATOM 472 CB ASP A 28 134.862 -4.704 8.862 1.00 1.02 C ATOM 473 CG ASP A 28 135.575 -6.043 9.054 1.00 1.53 C ATOM 474 OD1 ASP A 28 135.478 -6.594 10.138 1.00 2.29 O ATOM 475 OD2 ASP A 28 136.206 -6.495 8.113 1.00 2.00 O ATOM 0 H ASP A 28 133.895 -2.523 8.929 1.00 0.89 H new ATOM 0 HA ASP A 28 135.562 -4.010 10.802 1.00 0.93 H new ATOM 0 HB2 ASP A 28 133.801 -4.810 9.088 1.00 1.02 H new ATOM 0 HB3 ASP A 28 134.936 -4.388 7.822 1.00 1.02 H new ATOM 480 N SER A 29 137.018 -2.326 8.437 1.00 0.83 N ATOM 481 CA SER A 29 138.368 -1.918 7.967 1.00 0.86 C ATOM 482 C SER A 29 139.128 -1.313 9.143 1.00 0.88 C ATOM 483 O SER A 29 139.991 -1.944 9.721 1.00 0.94 O ATOM 484 CB SER A 29 138.125 -0.874 6.879 1.00 0.90 C ATOM 485 OG SER A 29 137.348 -1.452 5.839 1.00 1.44 O ATOM 0 H SER A 29 136.240 -1.804 8.035 1.00 0.83 H new ATOM 0 HA SER A 29 138.956 -2.750 7.580 1.00 0.86 H new ATOM 0 HB2 SER A 29 137.609 -0.010 7.297 1.00 0.90 H new ATOM 0 HB3 SER A 29 139.076 -0.517 6.483 1.00 0.90 H new ATOM 0 HG SER A 29 137.189 -0.784 5.140 1.00 1.44 H new ATOM 491 N VAL A 30 138.818 -0.095 9.518 1.00 0.87 N ATOM 492 CA VAL A 30 139.528 0.514 10.664 1.00 0.94 C ATOM 493 C VAL A 30 138.577 0.563 11.865 1.00 1.03 C ATOM 494 O VAL A 30 137.674 1.374 11.906 1.00 1.09 O ATOM 495 CB VAL A 30 139.906 1.931 10.209 1.00 0.92 C ATOM 496 CG1 VAL A 30 141.148 2.388 10.974 1.00 1.30 C ATOM 497 CG2 VAL A 30 140.215 1.962 8.701 1.00 0.94 C ATOM 0 H VAL A 30 138.109 0.492 9.079 1.00 0.87 H new ATOM 0 HA VAL A 30 140.413 -0.049 10.962 1.00 0.94 H new ATOM 0 HB VAL A 30 139.064 2.594 10.410 1.00 0.92 H new ATOM 0 HG11 VAL A 30 141.422 3.394 10.656 1.00 1.30 H new ATOM 0 HG12 VAL A 30 140.936 2.391 12.043 1.00 1.30 H new ATOM 0 HG13 VAL A 30 141.973 1.705 10.770 1.00 1.30 H new ATOM 0 HG21 VAL A 30 140.480 2.977 8.405 1.00 0.94 H new ATOM 0 HG22 VAL A 30 141.048 1.292 8.486 1.00 0.94 H new ATOM 0 HG23 VAL A 30 139.336 1.639 8.143 1.00 0.94 H new ATOM 667 N GLN A 42 133.660 8.337 9.072 1.00 1.30 N ATOM 668 CA GLN A 42 134.753 7.763 9.886 1.00 1.16 C ATOM 669 C GLN A 42 135.696 6.940 9.005 1.00 1.10 C ATOM 670 O GLN A 42 136.861 7.272 8.830 1.00 1.37 O ATOM 671 CB GLN A 42 134.054 6.885 10.918 1.00 1.29 C ATOM 672 CG GLN A 42 132.874 7.629 11.541 1.00 2.01 C ATOM 673 CD GLN A 42 131.586 6.988 11.035 1.00 2.19 C ATOM 674 OE1 GLN A 42 131.508 5.692 10.975 1.00 2.84 O flip ATOM 675 NE2 GLN A 42 130.646 7.668 10.683 1.00 2.21 N flip ATOM 0 HA GLN A 42 135.367 8.529 10.360 1.00 1.16 H new ATOM 0 HB2 GLN A 42 133.704 5.967 10.446 1.00 1.29 H new ATOM 0 HB3 GLN A 42 134.760 6.595 11.696 1.00 1.29 H new ATOM 0 HG2 GLN A 42 132.923 7.577 12.629 1.00 2.01 H new ATOM 0 HG3 GLN A 42 132.905 8.685 11.271 1.00 2.01 H new ATOM 0 HE21 GLN A 42 130.706 8.685 10.730 1.00 2.21 H new ATOM 0 HE22 GLN A 42 129.795 7.223 10.340 1.00 2.21 H new ATOM 684 N ILE A 43 135.212 5.872 8.437 1.00 0.94 N ATOM 685 CA ILE A 43 136.100 5.054 7.575 1.00 1.02 C ATOM 686 C ILE A 43 136.363 5.780 6.260 1.00 0.95 C ATOM 687 O ILE A 43 137.333 5.517 5.598 1.00 1.01 O ATOM 688 CB ILE A 43 135.373 3.735 7.332 1.00 1.18 C ATOM 689 CG1 ILE A 43 134.656 3.291 8.609 1.00 2.22 C ATOM 690 CG2 ILE A 43 136.399 2.671 6.933 1.00 1.33 C ATOM 691 CD1 ILE A 43 133.144 3.373 8.400 1.00 2.95 C ATOM 0 H ILE A 43 134.254 5.536 8.531 1.00 0.94 H new ATOM 0 HA ILE A 43 137.067 4.880 8.047 1.00 1.02 H new ATOM 0 HB ILE A 43 134.638 3.866 6.538 1.00 1.18 H new ATOM 0 HG12 ILE A 43 134.944 2.271 8.864 1.00 2.22 H new ATOM 0 HG13 ILE A 43 134.953 3.925 9.445 1.00 2.22 H new ATOM 0 HG21 ILE A 43 135.890 1.723 6.757 1.00 1.33 H new ATOM 0 HG22 ILE A 43 136.911 2.983 6.023 1.00 1.33 H new ATOM 0 HG23 ILE A 43 137.127 2.548 7.735 1.00 1.33 H new ATOM 0 HD11 ILE A 43 132.633 3.057 9.310 1.00 2.95 H new ATOM 0 HD12 ILE A 43 132.864 4.400 8.165 1.00 2.95 H new ATOM 0 HD13 ILE A 43 132.855 2.721 7.576 1.00 2.95 H new ATOM 703 N LEU A 44 135.531 6.708 5.876 1.00 0.95 N ATOM 704 CA LEU A 44 135.811 7.433 4.605 1.00 1.07 C ATOM 705 C LEU A 44 137.143 8.159 4.761 1.00 1.01 C ATOM 706 O LEU A 44 138.049 7.986 3.976 1.00 0.96 O ATOM 707 CB LEU A 44 134.648 8.415 4.407 1.00 1.43 C ATOM 708 CG LEU A 44 133.307 7.677 4.531 1.00 0.94 C ATOM 709 CD1 LEU A 44 132.231 8.376 3.690 1.00 1.42 C ATOM 710 CD2 LEU A 44 133.442 6.246 4.035 1.00 1.24 C ATOM 0 H LEU A 44 134.687 6.992 6.374 1.00 0.95 H new ATOM 0 HA LEU A 44 135.887 6.774 3.740 1.00 1.07 H new ATOM 0 HB2 LEU A 44 134.704 9.211 5.149 1.00 1.43 H new ATOM 0 HB3 LEU A 44 134.723 8.887 3.427 1.00 1.43 H new ATOM 0 HG LEU A 44 133.020 7.682 5.583 1.00 0.94 H new ATOM 0 HD11 LEU A 44 131.287 7.840 3.789 1.00 1.42 H new ATOM 0 HD12 LEU A 44 132.105 9.401 4.039 1.00 1.42 H new ATOM 0 HD13 LEU A 44 132.536 8.384 2.643 1.00 1.42 H new ATOM 0 HD21 LEU A 44 132.483 5.736 4.129 1.00 1.24 H new ATOM 0 HD22 LEU A 44 133.749 6.251 2.989 1.00 1.24 H new ATOM 0 HD23 LEU A 44 134.191 5.724 4.630 1.00 1.24 H new ATOM 722 N ASP A 45 137.287 8.938 5.797 1.00 1.09 N ATOM 723 CA ASP A 45 138.584 9.631 6.014 1.00 1.15 C ATOM 724 C ASP A 45 139.710 8.600 5.915 1.00 1.00 C ATOM 725 O ASP A 45 140.627 8.735 5.124 1.00 0.93 O ATOM 726 CB ASP A 45 138.500 10.207 7.427 1.00 1.37 C ATOM 727 CG ASP A 45 139.804 10.932 7.762 1.00 1.59 C ATOM 728 OD1 ASP A 45 139.912 12.101 7.428 1.00 1.77 O ATOM 729 OD2 ASP A 45 140.674 10.306 8.345 1.00 2.29 O ATOM 0 H ASP A 45 136.568 9.123 6.497 1.00 1.09 H new ATOM 0 HA ASP A 45 138.780 10.414 5.282 1.00 1.15 H new ATOM 0 HB2 ASP A 45 137.659 10.897 7.500 1.00 1.37 H new ATOM 0 HB3 ASP A 45 138.321 9.408 8.147 1.00 1.37 H new ATOM 734 N LYS A 46 139.635 7.553 6.696 1.00 1.02 N ATOM 735 CA LYS A 46 140.694 6.502 6.622 1.00 0.96 C ATOM 736 C LYS A 46 140.664 5.846 5.241 1.00 0.84 C ATOM 737 O LYS A 46 141.603 5.933 4.476 1.00 0.89 O ATOM 738 CB LYS A 46 140.318 5.485 7.697 1.00 1.02 C ATOM 739 CG LYS A 46 141.570 5.067 8.471 1.00 1.54 C ATOM 740 CD LYS A 46 142.224 6.300 9.097 1.00 1.67 C ATOM 741 CE LYS A 46 143.707 6.337 8.717 1.00 2.59 C ATOM 742 NZ LYS A 46 144.421 6.797 9.944 1.00 2.66 N ATOM 0 H LYS A 46 138.894 7.381 7.376 1.00 1.02 H new ATOM 0 HA LYS A 46 141.695 6.904 6.776 1.00 0.96 H new ATOM 0 HB2 LYS A 46 139.584 5.916 8.378 1.00 1.02 H new ATOM 0 HB3 LYS A 46 139.853 4.612 7.239 1.00 1.02 H new ATOM 0 HG2 LYS A 46 141.306 4.349 9.248 1.00 1.54 H new ATOM 0 HG3 LYS A 46 142.273 4.570 7.803 1.00 1.54 H new ATOM 0 HD2 LYS A 46 141.726 7.205 8.750 1.00 1.67 H new ATOM 0 HD3 LYS A 46 142.116 6.272 10.181 1.00 1.67 H new ATOM 0 HE2 LYS A 46 144.057 5.353 8.405 1.00 2.59 H new ATOM 0 HE3 LYS A 46 143.882 7.017 7.883 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 145.442 6.845 9.754 1.00 2.66 H new ATOM 0 HZ2 LYS A 46 144.075 7.740 10.214 1.00 2.66 H new ATOM 0 HZ3 LYS A 46 144.244 6.127 10.720 1.00 2.66 H new ATOM 756 N ALA A 47 139.577 5.193 4.929 1.00 0.73 N ATOM 757 CA ALA A 47 139.430 4.515 3.602 1.00 0.69 C ATOM 758 C ALA A 47 140.152 5.297 2.496 1.00 0.70 C ATOM 759 O ALA A 47 140.986 4.763 1.792 1.00 0.70 O ATOM 760 CB ALA A 47 137.918 4.497 3.336 1.00 0.69 C ATOM 0 H ALA A 47 138.770 5.098 5.546 1.00 0.73 H new ATOM 0 HA ALA A 47 139.867 3.517 3.610 1.00 0.69 H new ATOM 0 HB1 ALA A 47 137.723 4.015 2.378 1.00 0.69 H new ATOM 0 HB2 ALA A 47 137.415 3.944 4.130 1.00 0.69 H new ATOM 0 HB3 ALA A 47 137.541 5.519 3.311 1.00 0.69 H new ATOM 766 N THR A 48 139.830 6.552 2.328 1.00 0.83 N ATOM 767 CA THR A 48 140.493 7.351 1.255 1.00 0.92 C ATOM 768 C THR A 48 142.013 7.305 1.403 1.00 0.83 C ATOM 769 O THR A 48 142.727 6.991 0.470 1.00 0.79 O ATOM 770 CB THR A 48 139.995 8.786 1.443 1.00 1.17 C ATOM 771 OG1 THR A 48 138.659 8.769 1.917 1.00 1.76 O ATOM 772 CG2 THR A 48 140.053 9.524 0.106 1.00 1.36 C ATOM 0 H THR A 48 139.140 7.057 2.884 1.00 0.83 H new ATOM 0 HA THR A 48 140.255 6.959 0.266 1.00 0.92 H new ATOM 0 HB THR A 48 140.628 9.296 2.169 1.00 1.17 H new ATOM 0 HG1 THR A 48 138.660 8.766 2.897 1.00 1.76 H new ATOM 0 HG21 THR A 48 139.698 10.546 0.239 1.00 1.36 H new ATOM 0 HG22 THR A 48 141.081 9.541 -0.256 1.00 1.36 H new ATOM 0 HG23 THR A 48 139.421 9.012 -0.620 1.00 1.36 H new ATOM 780 N GLU A 49 142.520 7.629 2.561 1.00 0.88 N ATOM 781 CA GLU A 49 144.000 7.615 2.745 1.00 0.90 C ATOM 782 C GLU A 49 144.552 6.194 2.565 1.00 0.77 C ATOM 783 O GLU A 49 145.705 6.006 2.229 1.00 0.83 O ATOM 784 CB GLU A 49 144.235 8.142 4.168 1.00 1.04 C ATOM 785 CG GLU A 49 144.084 7.016 5.194 1.00 1.34 C ATOM 786 CD GLU A 49 145.457 6.663 5.767 1.00 1.68 C ATOM 787 OE1 GLU A 49 146.440 6.897 5.084 1.00 2.01 O ATOM 788 OE2 GLU A 49 145.504 6.167 6.881 1.00 2.26 O ATOM 0 H GLU A 49 141.979 7.901 3.382 1.00 0.88 H new ATOM 0 HA GLU A 49 144.515 8.231 2.008 1.00 0.90 H new ATOM 0 HB2 GLU A 49 145.233 8.575 4.240 1.00 1.04 H new ATOM 0 HB3 GLU A 49 143.525 8.939 4.388 1.00 1.04 H new ATOM 0 HG2 GLU A 49 143.413 7.326 5.995 1.00 1.34 H new ATOM 0 HG3 GLU A 49 143.637 6.139 4.725 1.00 1.34 H new ATOM 795 N TYR A 50 143.739 5.194 2.778 1.00 0.67 N ATOM 796 CA TYR A 50 144.223 3.793 2.613 1.00 0.64 C ATOM 797 C TYR A 50 144.268 3.415 1.130 1.00 0.62 C ATOM 798 O TYR A 50 145.266 2.931 0.633 1.00 0.64 O ATOM 799 CB TYR A 50 143.200 2.931 3.353 1.00 0.65 C ATOM 800 CG TYR A 50 143.700 2.652 4.749 1.00 0.93 C ATOM 801 CD1 TYR A 50 144.467 3.610 5.420 1.00 1.38 C ATOM 802 CD2 TYR A 50 143.397 1.435 5.372 1.00 1.72 C ATOM 803 CE1 TYR A 50 144.934 3.352 6.714 1.00 1.72 C ATOM 804 CE2 TYR A 50 143.864 1.177 6.666 1.00 2.07 C ATOM 805 CZ TYR A 50 144.632 2.136 7.338 1.00 1.79 C ATOM 806 OH TYR A 50 145.093 1.881 8.613 1.00 2.26 O ATOM 0 H TYR A 50 142.763 5.286 3.059 1.00 0.67 H new ATOM 0 HA TYR A 50 145.231 3.658 3.004 1.00 0.64 H new ATOM 0 HB2 TYR A 50 142.238 3.442 3.394 1.00 0.65 H new ATOM 0 HB3 TYR A 50 143.041 1.995 2.818 1.00 0.65 H new ATOM 0 HD1 TYR A 50 144.699 4.549 4.940 1.00 1.38 H new ATOM 0 HD2 TYR A 50 142.803 0.696 4.854 1.00 1.72 H new ATOM 0 HE1 TYR A 50 145.528 4.091 7.231 1.00 1.72 H new ATOM 0 HE2 TYR A 50 143.632 0.238 7.146 1.00 2.07 H new ATOM 0 HH TYR A 50 144.793 0.993 8.898 1.00 2.26 H new ATOM 816 N ILE A 51 143.194 3.629 0.421 1.00 0.65 N ATOM 817 CA ILE A 51 143.174 3.278 -1.028 1.00 0.67 C ATOM 818 C ILE A 51 144.370 3.909 -1.748 1.00 0.66 C ATOM 819 O ILE A 51 145.155 3.228 -2.378 1.00 0.65 O ATOM 820 CB ILE A 51 141.859 3.854 -1.554 1.00 0.76 C ATOM 821 CG1 ILE A 51 140.687 3.091 -0.932 1.00 0.88 C ATOM 822 CG2 ILE A 51 141.810 3.709 -3.076 1.00 0.82 C ATOM 823 CD1 ILE A 51 139.470 4.012 -0.833 1.00 0.73 C ATOM 0 H ILE A 51 142.329 4.032 0.782 1.00 0.65 H new ATOM 0 HA ILE A 51 143.243 2.203 -1.194 1.00 0.67 H new ATOM 0 HB ILE A 51 141.791 4.909 -1.288 1.00 0.76 H new ATOM 0 HG12 ILE A 51 140.446 2.217 -1.538 1.00 0.88 H new ATOM 0 HG13 ILE A 51 140.961 2.727 0.058 1.00 0.88 H new ATOM 0 HG21 ILE A 51 140.872 4.120 -3.451 1.00 0.82 H new ATOM 0 HG22 ILE A 51 142.646 4.249 -3.520 1.00 0.82 H new ATOM 0 HG23 ILE A 51 141.877 2.654 -3.343 1.00 0.82 H new ATOM 0 HD11 ILE A 51 138.636 3.467 -0.390 1.00 0.73 H new ATOM 0 HD12 ILE A 51 139.714 4.872 -0.209 1.00 0.73 H new ATOM 0 HD13 ILE A 51 139.191 4.354 -1.829 1.00 0.73 H new ATOM 835 N GLN A 52 144.515 5.203 -1.663 1.00 0.77 N ATOM 836 CA GLN A 52 145.662 5.869 -2.346 1.00 0.82 C ATOM 837 C GLN A 52 146.987 5.254 -1.884 1.00 0.73 C ATOM 838 O GLN A 52 147.696 4.635 -2.653 1.00 0.71 O ATOM 839 CB GLN A 52 145.575 7.336 -1.924 1.00 1.02 C ATOM 840 CG GLN A 52 145.361 8.210 -3.161 1.00 1.19 C ATOM 841 CD GLN A 52 143.958 7.969 -3.720 1.00 1.68 C ATOM 842 OE1 GLN A 52 143.800 7.343 -4.750 1.00 2.44 O ATOM 843 NE2 GLN A 52 142.923 8.442 -3.080 1.00 2.11 N ATOM 0 H GLN A 52 143.891 5.827 -1.152 1.00 0.77 H new ATOM 0 HA GLN A 52 145.621 5.752 -3.429 1.00 0.82 H new ATOM 0 HB2 GLN A 52 144.754 7.475 -1.221 1.00 1.02 H new ATOM 0 HB3 GLN A 52 146.489 7.632 -1.410 1.00 1.02 H new ATOM 0 HG2 GLN A 52 145.485 9.262 -2.902 1.00 1.19 H new ATOM 0 HG3 GLN A 52 146.110 7.977 -3.918 1.00 1.19 H new ATOM 0 HE21 GLN A 52 143.054 8.967 -2.216 1.00 2.11 H new ATOM 0 HE22 GLN A 52 141.983 8.286 -3.444 1.00 2.11 H new ATOM 852 N TYR A 53 147.326 5.420 -0.635 1.00 0.75 N ATOM 853 CA TYR A 53 148.606 4.846 -0.126 1.00 0.76 C ATOM 854 C TYR A 53 148.755 3.387 -0.585 1.00 0.68 C ATOM 855 O TYR A 53 149.668 3.043 -1.308 1.00 0.79 O ATOM 856 CB TYR A 53 148.492 4.952 1.405 1.00 0.87 C ATOM 857 CG TYR A 53 149.148 3.765 2.079 1.00 0.96 C ATOM 858 CD1 TYR A 53 150.483 3.448 1.801 1.00 1.62 C ATOM 859 CD2 TYR A 53 148.415 2.981 2.978 1.00 1.50 C ATOM 860 CE1 TYR A 53 151.084 2.346 2.421 1.00 1.73 C ATOM 861 CE2 TYR A 53 149.017 1.880 3.599 1.00 1.56 C ATOM 862 CZ TYR A 53 150.351 1.563 3.321 1.00 1.22 C ATOM 863 OH TYR A 53 150.944 0.477 3.933 1.00 1.38 O ATOM 0 H TYR A 53 146.773 5.928 0.056 1.00 0.75 H new ATOM 0 HA TYR A 53 149.486 5.369 -0.500 1.00 0.76 H new ATOM 0 HB2 TYR A 53 148.962 5.874 1.746 1.00 0.87 H new ATOM 0 HB3 TYR A 53 147.442 5.004 1.693 1.00 0.87 H new ATOM 0 HD1 TYR A 53 151.049 4.053 1.109 1.00 1.62 H new ATOM 0 HD2 TYR A 53 147.385 3.226 3.192 1.00 1.50 H new ATOM 0 HE1 TYR A 53 152.113 2.100 2.205 1.00 1.73 H new ATOM 0 HE2 TYR A 53 148.452 1.275 4.293 1.00 1.56 H new ATOM 0 HH TYR A 53 150.297 0.043 4.528 1.00 1.38 H new ATOM 873 N MET A 54 147.871 2.530 -0.154 1.00 0.59 N ATOM 874 CA MET A 54 147.962 1.092 -0.545 1.00 0.60 C ATOM 875 C MET A 54 148.232 0.942 -2.047 1.00 0.56 C ATOM 876 O MET A 54 149.315 0.572 -2.455 1.00 0.57 O ATOM 877 CB MET A 54 146.598 0.504 -0.184 1.00 0.68 C ATOM 878 CG MET A 54 146.451 0.461 1.338 1.00 0.77 C ATOM 879 SD MET A 54 144.912 -0.384 1.774 1.00 1.40 S ATOM 880 CE MET A 54 145.329 -0.731 3.500 1.00 0.80 C ATOM 0 H MET A 54 147.086 2.763 0.454 1.00 0.59 H new ATOM 0 HA MET A 54 148.782 0.585 -0.037 1.00 0.60 H new ATOM 0 HB2 MET A 54 145.802 1.108 -0.620 1.00 0.68 H new ATOM 0 HB3 MET A 54 146.501 -0.499 -0.598 1.00 0.68 H new ATOM 0 HG2 MET A 54 147.301 -0.058 1.781 1.00 0.77 H new ATOM 0 HG3 MET A 54 146.449 1.473 1.742 1.00 0.77 H new ATOM 0 HE1 MET A 54 144.418 -0.943 4.059 1.00 0.80 H new ATOM 0 HE2 MET A 54 145.993 -1.594 3.547 1.00 0.80 H new ATOM 0 HE3 MET A 54 145.829 0.135 3.935 1.00 0.80 H new ATOM 890 N ARG A 55 147.252 1.211 -2.869 1.00 0.56 N ATOM 891 CA ARG A 55 147.446 1.068 -4.344 1.00 0.56 C ATOM 892 C ARG A 55 148.836 1.556 -4.764 1.00 0.58 C ATOM 893 O ARG A 55 149.549 0.881 -5.481 1.00 0.58 O ATOM 894 CB ARG A 55 146.361 1.942 -4.973 1.00 0.60 C ATOM 895 CG ARG A 55 145.911 1.318 -6.295 1.00 1.27 C ATOM 896 CD ARG A 55 144.420 1.590 -6.508 1.00 1.63 C ATOM 897 NE ARG A 55 144.371 2.738 -7.455 1.00 1.73 N ATOM 898 CZ ARG A 55 143.241 3.076 -8.012 1.00 2.04 C ATOM 899 NH1 ARG A 55 142.253 3.506 -7.276 1.00 2.60 N ATOM 900 NH2 ARG A 55 143.097 2.982 -9.306 1.00 2.56 N ATOM 0 H ARG A 55 146.324 1.524 -2.583 1.00 0.56 H new ATOM 0 HA ARG A 55 147.374 0.028 -4.662 1.00 0.56 H new ATOM 0 HB2 ARG A 55 145.513 2.034 -4.294 1.00 0.60 H new ATOM 0 HB3 ARG A 55 146.743 2.948 -5.144 1.00 0.60 H new ATOM 0 HG2 ARG A 55 146.489 1.734 -7.121 1.00 1.27 H new ATOM 0 HG3 ARG A 55 146.098 0.244 -6.284 1.00 1.27 H new ATOM 0 HD2 ARG A 55 143.914 0.717 -6.919 1.00 1.63 H new ATOM 0 HD3 ARG A 55 143.924 1.832 -5.568 1.00 1.63 H new ATOM 0 HE ARG A 55 145.221 3.260 -7.668 1.00 1.73 H new ATOM 0 HH11 ARG A 55 142.364 3.578 -6.265 1.00 2.60 H new ATOM 0 HH12 ARG A 55 141.370 3.770 -7.712 1.00 2.60 H new ATOM 0 HH21 ARG A 55 143.868 2.644 -9.882 1.00 2.56 H new ATOM 0 HH22 ARG A 55 142.213 3.246 -9.741 1.00 2.56 H new ATOM 914 N ARG A 56 149.225 2.722 -4.332 1.00 0.66 N ATOM 915 CA ARG A 56 150.567 3.248 -4.716 1.00 0.71 C ATOM 916 C ARG A 56 151.654 2.209 -4.422 1.00 0.68 C ATOM 917 O ARG A 56 152.199 1.596 -5.319 1.00 0.67 O ATOM 918 CB ARG A 56 150.766 4.493 -3.851 1.00 0.83 C ATOM 919 CG ARG A 56 150.585 5.746 -4.712 1.00 1.14 C ATOM 920 CD ARG A 56 151.855 6.597 -4.651 1.00 1.31 C ATOM 921 NE ARG A 56 151.682 7.460 -3.450 1.00 1.33 N ATOM 922 CZ ARG A 56 151.044 8.594 -3.548 1.00 1.82 C ATOM 923 NH1 ARG A 56 151.601 9.605 -4.157 1.00 2.36 N ATOM 924 NH2 ARG A 56 149.850 8.717 -3.036 1.00 2.46 N ATOM 0 H ARG A 56 148.674 3.334 -3.730 1.00 0.66 H new ATOM 0 HA ARG A 56 150.630 3.475 -5.780 1.00 0.71 H new ATOM 0 HB2 ARG A 56 150.050 4.497 -3.029 1.00 0.83 H new ATOM 0 HB3 ARG A 56 151.761 4.485 -3.406 1.00 0.83 H new ATOM 0 HG2 ARG A 56 150.373 5.464 -5.743 1.00 1.14 H new ATOM 0 HG3 ARG A 56 149.731 6.323 -4.358 1.00 1.14 H new ATOM 0 HD2 ARG A 56 152.745 5.973 -4.564 1.00 1.31 H new ATOM 0 HD3 ARG A 56 151.973 7.196 -5.554 1.00 1.31 H new ATOM 0 HE ARG A 56 152.062 7.165 -2.551 1.00 1.33 H new ATOM 0 HH11 ARG A 56 152.535 9.509 -4.556 1.00 2.36 H new ATOM 0 HH12 ARG A 56 151.103 10.492 -4.234 1.00 2.36 H new ATOM 0 HH21 ARG A 56 149.416 7.927 -2.559 1.00 2.46 H new ATOM 0 HH22 ARG A 56 149.351 9.603 -3.112 1.00 2.46 H new ATOM 938 N LYS A 57 151.976 2.009 -3.173 1.00 0.72 N ATOM 939 CA LYS A 57 153.031 1.014 -2.824 1.00 0.75 C ATOM 940 C LYS A 57 152.745 -0.331 -3.499 1.00 0.71 C ATOM 941 O LYS A 57 153.626 -0.951 -4.059 1.00 0.71 O ATOM 942 CB LYS A 57 152.955 0.875 -1.303 1.00 0.83 C ATOM 943 CG LYS A 57 154.122 1.628 -0.664 1.00 1.10 C ATOM 944 CD LYS A 57 153.616 2.945 -0.072 1.00 1.27 C ATOM 945 CE LYS A 57 154.730 3.600 0.747 1.00 1.77 C ATOM 946 NZ LYS A 57 154.759 5.018 0.291 1.00 2.36 N ATOM 0 H LYS A 57 151.555 2.491 -2.379 1.00 0.72 H new ATOM 0 HA LYS A 57 154.019 1.330 -3.159 1.00 0.75 H new ATOM 0 HB2 LYS A 57 152.008 1.272 -0.938 1.00 0.83 H new ATOM 0 HB3 LYS A 57 152.989 -0.177 -1.021 1.00 0.83 H new ATOM 0 HG2 LYS A 57 154.579 1.018 0.115 1.00 1.10 H new ATOM 0 HG3 LYS A 57 154.894 1.824 -1.409 1.00 1.10 H new ATOM 0 HD2 LYS A 57 153.295 3.615 -0.870 1.00 1.27 H new ATOM 0 HD3 LYS A 57 152.746 2.762 0.559 1.00 1.27 H new ATOM 0 HE2 LYS A 57 154.526 3.533 1.816 1.00 1.77 H new ATOM 0 HE3 LYS A 57 155.688 3.110 0.574 1.00 1.77 H new ATOM 0 HZ1 LYS A 57 155.499 5.534 0.808 1.00 2.36 H new ATOM 0 HZ2 LYS A 57 154.962 5.051 -0.729 1.00 2.36 H new ATOM 0 HZ3 LYS A 57 153.836 5.461 0.475 1.00 2.36 H new ATOM 960 N VAL A 58 151.523 -0.788 -3.445 1.00 0.72 N ATOM 961 CA VAL A 58 151.183 -2.097 -4.079 1.00 0.73 C ATOM 962 C VAL A 58 151.891 -2.242 -5.430 1.00 0.68 C ATOM 963 O VAL A 58 152.665 -3.154 -5.641 1.00 0.68 O ATOM 964 CB VAL A 58 149.666 -2.059 -4.273 1.00 0.79 C ATOM 965 CG1 VAL A 58 149.245 -3.165 -5.242 1.00 1.40 C ATOM 966 CG2 VAL A 58 148.976 -2.277 -2.925 1.00 1.36 C ATOM 0 H VAL A 58 150.744 -0.312 -2.989 1.00 0.72 H new ATOM 0 HA VAL A 58 151.499 -2.942 -3.467 1.00 0.73 H new ATOM 0 HB VAL A 58 149.377 -1.090 -4.680 1.00 0.79 H new ATOM 0 HG11 VAL A 58 148.164 -3.137 -5.379 1.00 1.40 H new ATOM 0 HG12 VAL A 58 149.737 -3.013 -6.203 1.00 1.40 H new ATOM 0 HG13 VAL A 58 149.534 -4.134 -4.835 1.00 1.40 H new ATOM 0 HG21 VAL A 58 147.895 -2.250 -3.061 1.00 1.36 H new ATOM 0 HG22 VAL A 58 149.267 -3.246 -2.520 1.00 1.36 H new ATOM 0 HG23 VAL A 58 149.274 -1.490 -2.232 1.00 1.36 H new ATOM 976 N HIS A 59 151.627 -1.352 -6.347 1.00 0.69 N ATOM 977 CA HIS A 59 152.279 -1.442 -7.685 1.00 0.67 C ATOM 978 C HIS A 59 153.804 -1.374 -7.547 1.00 0.61 C ATOM 979 O HIS A 59 154.511 -2.286 -7.928 1.00 0.61 O ATOM 980 CB HIS A 59 151.757 -0.232 -8.459 1.00 0.71 C ATOM 981 CG HIS A 59 151.638 -0.583 -9.915 1.00 1.06 C ATOM 982 ND1 HIS A 59 150.915 -1.681 -10.355 1.00 1.76 N ATOM 983 CD2 HIS A 59 152.143 0.010 -11.046 1.00 1.80 C ATOM 984 CE1 HIS A 59 151.005 -1.715 -11.697 1.00 2.09 C ATOM 985 NE2 HIS A 59 151.742 -0.706 -12.169 1.00 2.12 N ATOM 0 H HIS A 59 150.988 -0.566 -6.228 1.00 0.69 H new ATOM 0 HA HIS A 59 152.052 -2.382 -8.189 1.00 0.67 H new ATOM 0 HB2 HIS A 59 150.787 0.073 -8.067 1.00 0.71 H new ATOM 0 HB3 HIS A 59 152.433 0.614 -8.332 1.00 0.71 H new ATOM 0 HD2 HIS A 59 152.758 0.898 -11.061 1.00 1.80 H new ATOM 0 HE1 HIS A 59 150.538 -2.466 -12.317 1.00 2.09 H new ATOM 0 HE2 HIS A 59 151.963 -0.504 -13.144 1.00 2.12 H new ATOM 993 N THR A 60 154.315 -0.300 -7.011 1.00 0.59 N ATOM 994 CA THR A 60 155.794 -0.173 -6.856 1.00 0.56 C ATOM 995 C THR A 60 156.366 -1.395 -6.130 1.00 0.52 C ATOM 996 O THR A 60 157.308 -2.016 -6.584 1.00 0.51 O ATOM 997 CB THR A 60 155.994 1.091 -6.019 1.00 0.59 C ATOM 998 OG1 THR A 60 155.477 2.211 -6.724 1.00 1.35 O ATOM 999 CG2 THR A 60 157.486 1.299 -5.752 1.00 1.29 C ATOM 0 H THR A 60 153.774 0.496 -6.673 1.00 0.59 H new ATOM 0 HA THR A 60 156.304 -0.114 -7.817 1.00 0.56 H new ATOM 0 HB THR A 60 155.469 0.984 -5.070 1.00 0.59 H new ATOM 0 HG1 THR A 60 155.603 3.022 -6.188 1.00 1.35 H new ATOM 0 HG21 THR A 60 157.627 2.200 -5.155 1.00 1.29 H new ATOM 0 HG22 THR A 60 157.882 0.440 -5.210 1.00 1.29 H new ATOM 0 HG23 THR A 60 158.014 1.405 -6.700 1.00 1.29 H new ATOM 1007 N LEU A 61 155.809 -1.740 -5.002 1.00 0.55 N ATOM 1008 CA LEU A 61 156.323 -2.916 -4.240 1.00 0.54 C ATOM 1009 C LEU A 61 156.466 -4.135 -5.155 1.00 0.53 C ATOM 1010 O LEU A 61 157.556 -4.613 -5.400 1.00 0.51 O ATOM 1011 CB LEU A 61 155.268 -3.178 -3.164 1.00 0.63 C ATOM 1012 CG LEU A 61 155.623 -2.393 -1.901 1.00 0.67 C ATOM 1013 CD1 LEU A 61 154.543 -2.614 -0.841 1.00 0.76 C ATOM 1014 CD2 LEU A 61 156.971 -2.877 -1.364 1.00 0.80 C ATOM 0 H LEU A 61 155.019 -1.258 -4.573 1.00 0.55 H new ATOM 0 HA LEU A 61 157.309 -2.728 -3.816 1.00 0.54 H new ATOM 0 HB2 LEU A 61 154.283 -2.881 -3.525 1.00 0.63 H new ATOM 0 HB3 LEU A 61 155.218 -4.244 -2.941 1.00 0.63 H new ATOM 0 HG LEU A 61 155.685 -1.331 -2.139 1.00 0.67 H new ATOM 0 HD11 LEU A 61 154.797 -2.054 0.059 1.00 0.76 H new ATOM 0 HD12 LEU A 61 153.582 -2.270 -1.223 1.00 0.76 H new ATOM 0 HD13 LEU A 61 154.479 -3.676 -0.602 1.00 0.76 H new ATOM 0 HD21 LEU A 61 157.226 -2.318 -0.463 1.00 0.80 H new ATOM 0 HD22 LEU A 61 156.908 -3.939 -1.127 1.00 0.80 H new ATOM 0 HD23 LEU A 61 157.741 -2.719 -2.119 1.00 0.80 H new ATOM 1026 N GLN A 62 155.374 -4.646 -5.653 1.00 0.57 N ATOM 1027 CA GLN A 62 155.442 -5.841 -6.544 1.00 0.61 C ATOM 1028 C GLN A 62 156.622 -5.726 -7.513 1.00 0.59 C ATOM 1029 O GLN A 62 157.485 -6.581 -7.558 1.00 0.64 O ATOM 1030 CB GLN A 62 154.119 -5.840 -7.309 1.00 0.68 C ATOM 1031 CG GLN A 62 153.991 -7.135 -8.113 1.00 0.76 C ATOM 1032 CD GLN A 62 152.772 -7.921 -7.626 1.00 1.04 C ATOM 1033 OE1 GLN A 62 152.442 -7.889 -6.457 1.00 1.85 O ATOM 1034 NE2 GLN A 62 152.085 -8.630 -8.479 1.00 1.12 N ATOM 0 H GLN A 62 154.435 -4.287 -5.481 1.00 0.57 H new ATOM 0 HA GLN A 62 155.590 -6.762 -5.980 1.00 0.61 H new ATOM 0 HB2 GLN A 62 153.285 -5.748 -6.613 1.00 0.68 H new ATOM 0 HB3 GLN A 62 154.074 -4.979 -7.977 1.00 0.68 H new ATOM 0 HG2 GLN A 62 153.890 -6.908 -9.174 1.00 0.76 H new ATOM 0 HG3 GLN A 62 154.893 -7.736 -8.000 1.00 0.76 H new ATOM 0 HE21 GLN A 62 152.362 -8.657 -9.460 1.00 1.12 H new ATOM 0 HE22 GLN A 62 151.271 -9.158 -8.165 1.00 1.12 H new ATOM 1043 N GLN A 63 156.665 -4.680 -8.293 1.00 0.56 N ATOM 1044 CA GLN A 63 157.788 -4.516 -9.261 1.00 0.59 C ATOM 1045 C GLN A 63 159.117 -4.901 -8.605 1.00 0.56 C ATOM 1046 O GLN A 63 159.968 -5.515 -9.220 1.00 0.56 O ATOM 1047 CB GLN A 63 157.780 -3.032 -9.629 1.00 0.61 C ATOM 1048 CG GLN A 63 157.581 -2.883 -11.139 1.00 0.95 C ATOM 1049 CD GLN A 63 156.087 -2.924 -11.464 1.00 1.41 C ATOM 1050 OE1 GLN A 63 155.498 -1.915 -11.796 1.00 1.75 O ATOM 1051 NE2 GLN A 63 155.445 -4.057 -11.381 1.00 1.72 N ATOM 0 H GLN A 63 155.972 -3.932 -8.302 1.00 0.56 H new ATOM 0 HA GLN A 63 157.673 -5.154 -10.137 1.00 0.59 H new ATOM 0 HB2 GLN A 63 156.982 -2.518 -9.094 1.00 0.61 H new ATOM 0 HB3 GLN A 63 158.718 -2.566 -9.327 1.00 0.61 H new ATOM 0 HG2 GLN A 63 158.013 -1.943 -11.482 1.00 0.95 H new ATOM 0 HG3 GLN A 63 158.101 -3.684 -11.666 1.00 0.95 H new ATOM 0 HE21 GLN A 63 155.940 -4.904 -11.102 1.00 1.72 H new ATOM 0 HE22 GLN A 63 154.448 -4.095 -11.595 1.00 1.72 H new ATOM 1060 N ASP A 64 159.303 -4.552 -7.361 1.00 0.55 N ATOM 1061 CA ASP A 64 160.578 -4.905 -6.673 1.00 0.54 C ATOM 1062 C ASP A 64 160.612 -6.405 -6.369 1.00 0.50 C ATOM 1063 O ASP A 64 161.663 -7.016 -6.306 1.00 0.51 O ATOM 1064 CB ASP A 64 160.565 -4.095 -5.376 1.00 0.53 C ATOM 1065 CG ASP A 64 161.939 -3.459 -5.156 1.00 0.79 C ATOM 1066 OD1 ASP A 64 162.920 -4.182 -5.213 1.00 1.43 O ATOM 1067 OD2 ASP A 64 161.986 -2.261 -4.934 1.00 1.21 O ATOM 0 H ASP A 64 158.629 -4.039 -6.792 1.00 0.55 H new ATOM 0 HA ASP A 64 161.454 -4.683 -7.282 1.00 0.54 H new ATOM 0 HB2 ASP A 64 159.799 -3.322 -5.426 1.00 0.53 H new ATOM 0 HB3 ASP A 64 160.313 -4.740 -4.535 1.00 0.53 H new ATOM 1072 N ILE A 65 159.467 -7.004 -6.187 1.00 0.49 N ATOM 1073 CA ILE A 65 159.431 -8.467 -5.892 1.00 0.50 C ATOM 1074 C ILE A 65 159.738 -9.253 -7.168 1.00 0.54 C ATOM 1075 O ILE A 65 160.330 -10.313 -7.130 1.00 0.53 O ATOM 1076 CB ILE A 65 158.007 -8.779 -5.406 1.00 0.52 C ATOM 1077 CG1 ILE A 65 157.444 -7.608 -4.592 1.00 0.51 C ATOM 1078 CG2 ILE A 65 158.042 -10.024 -4.517 1.00 0.56 C ATOM 1079 CD1 ILE A 65 156.162 -8.053 -3.881 1.00 0.53 C ATOM 0 H ILE A 65 158.556 -6.546 -6.229 1.00 0.49 H new ATOM 0 HA ILE A 65 160.169 -8.744 -5.139 1.00 0.50 H new ATOM 0 HB ILE A 65 157.371 -8.946 -6.275 1.00 0.52 H new ATOM 0 HG12 ILE A 65 158.180 -7.271 -3.862 1.00 0.51 H new ATOM 0 HG13 ILE A 65 157.235 -6.762 -5.247 1.00 0.51 H new ATOM 0 HG21 ILE A 65 157.034 -10.251 -4.169 1.00 0.56 H new ATOM 0 HG22 ILE A 65 158.427 -10.868 -5.089 1.00 0.56 H new ATOM 0 HG23 ILE A 65 158.690 -9.841 -3.660 1.00 0.56 H new ATOM 0 HD11 ILE A 65 155.760 -7.222 -3.302 1.00 0.53 H new ATOM 0 HD12 ILE A 65 155.427 -8.369 -4.621 1.00 0.53 H new ATOM 0 HD13 ILE A 65 156.386 -8.885 -3.214 1.00 0.53 H new ATOM 1091 N ASP A 66 159.342 -8.737 -8.300 1.00 0.60 N ATOM 1092 CA ASP A 66 159.612 -9.449 -9.581 1.00 0.67 C ATOM 1093 C ASP A 66 161.110 -9.417 -9.893 1.00 0.62 C ATOM 1094 O ASP A 66 161.734 -10.439 -10.096 1.00 0.61 O ATOM 1095 CB ASP A 66 158.829 -8.671 -10.639 1.00 0.76 C ATOM 1096 CG ASP A 66 158.067 -9.650 -11.534 1.00 1.20 C ATOM 1097 OD1 ASP A 66 157.006 -10.091 -11.127 1.00 2.02 O ATOM 1098 OD2 ASP A 66 158.559 -9.941 -12.612 1.00 1.61 O ATOM 0 H ASP A 66 158.843 -7.852 -8.393 1.00 0.60 H new ATOM 0 HA ASP A 66 159.315 -10.497 -9.543 1.00 0.67 H new ATOM 0 HB2 ASP A 66 158.133 -7.984 -10.159 1.00 0.76 H new ATOM 0 HB3 ASP A 66 159.510 -8.067 -11.239 1.00 0.76 H new ATOM 1103 N ASP A 67 161.692 -8.249 -9.931 1.00 0.62 N ATOM 1104 CA ASP A 67 163.149 -8.152 -10.229 1.00 0.60 C ATOM 1105 C ASP A 67 163.941 -9.066 -9.291 1.00 0.54 C ATOM 1106 O ASP A 67 164.940 -9.645 -9.669 1.00 0.55 O ATOM 1107 CB ASP A 67 163.508 -6.687 -9.978 1.00 0.62 C ATOM 1108 CG ASP A 67 162.874 -5.814 -11.061 1.00 0.91 C ATOM 1109 OD1 ASP A 67 162.885 -6.227 -12.209 1.00 1.58 O ATOM 1110 OD2 ASP A 67 162.387 -4.747 -10.725 1.00 1.60 O ATOM 0 H ASP A 67 161.222 -7.359 -9.769 1.00 0.62 H new ATOM 0 HA ASP A 67 163.384 -8.460 -11.248 1.00 0.60 H new ATOM 0 HB2 ASP A 67 163.155 -6.378 -8.994 1.00 0.62 H new ATOM 0 HB3 ASP A 67 164.591 -6.561 -9.982 1.00 0.62 H new ATOM 1115 N LEU A 68 163.502 -9.201 -8.070 1.00 0.54 N ATOM 1116 CA LEU A 68 164.231 -10.080 -7.111 1.00 0.51 C ATOM 1117 C LEU A 68 164.111 -11.553 -7.518 1.00 0.52 C ATOM 1118 O LEU A 68 165.077 -12.178 -7.916 1.00 0.52 O ATOM 1119 CB LEU A 68 163.544 -9.852 -5.766 1.00 0.51 C ATOM 1120 CG LEU A 68 164.394 -8.924 -4.895 1.00 0.62 C ATOM 1121 CD1 LEU A 68 165.802 -9.503 -4.756 1.00 0.63 C ATOM 1122 CD2 LEU A 68 164.474 -7.538 -5.537 1.00 0.68 C ATOM 0 H LEU A 68 162.672 -8.742 -7.695 1.00 0.54 H new ATOM 0 HA LEU A 68 165.295 -9.847 -7.082 1.00 0.51 H new ATOM 0 HB2 LEU A 68 162.557 -9.416 -5.922 1.00 0.51 H new ATOM 0 HB3 LEU A 68 163.395 -10.805 -5.258 1.00 0.51 H new ATOM 0 HG LEU A 68 163.935 -8.837 -3.910 1.00 0.62 H new ATOM 0 HD11 LEU A 68 166.408 -8.842 -4.136 1.00 0.63 H new ATOM 0 HD12 LEU A 68 165.746 -10.487 -4.291 1.00 0.63 H new ATOM 0 HD13 LEU A 68 166.257 -9.593 -5.742 1.00 0.63 H new ATOM 0 HD21 LEU A 68 165.080 -6.882 -4.912 1.00 0.68 H new ATOM 0 HD22 LEU A 68 164.928 -7.620 -6.525 1.00 0.68 H new ATOM 0 HD23 LEU A 68 163.471 -7.123 -5.632 1.00 0.68 H new ATOM 1134 N LYS A 69 162.934 -12.111 -7.409 1.00 0.58 N ATOM 1135 CA LYS A 69 162.744 -13.545 -7.777 1.00 0.65 C ATOM 1136 C LYS A 69 163.529 -13.873 -9.050 1.00 0.62 C ATOM 1137 O LYS A 69 163.998 -14.981 -9.238 1.00 0.64 O ATOM 1138 CB LYS A 69 161.239 -13.695 -8.005 1.00 0.80 C ATOM 1139 CG LYS A 69 160.740 -14.958 -7.300 1.00 0.89 C ATOM 1140 CD LYS A 69 159.246 -14.820 -6.999 1.00 1.40 C ATOM 1141 CE LYS A 69 159.046 -14.560 -5.503 1.00 1.60 C ATOM 1142 NZ LYS A 69 158.971 -13.078 -5.376 1.00 2.20 N ATOM 0 H LYS A 69 162.094 -11.634 -7.080 1.00 0.58 H new ATOM 0 HA LYS A 69 163.105 -14.226 -7.006 1.00 0.65 H new ATOM 0 HB2 LYS A 69 160.713 -12.820 -7.622 1.00 0.80 H new ATOM 0 HB3 LYS A 69 161.026 -13.753 -9.072 1.00 0.80 H new ATOM 0 HG2 LYS A 69 160.916 -15.831 -7.928 1.00 0.89 H new ATOM 0 HG3 LYS A 69 161.295 -15.114 -6.375 1.00 0.89 H new ATOM 0 HD2 LYS A 69 158.821 -14.002 -7.581 1.00 1.40 H new ATOM 0 HD3 LYS A 69 158.720 -15.728 -7.294 1.00 1.40 H new ATOM 0 HE2 LYS A 69 158.135 -15.034 -5.138 1.00 1.60 H new ATOM 0 HE3 LYS A 69 159.872 -14.965 -4.918 1.00 1.60 H new ATOM 0 HZ1 LYS A 69 158.750 -12.825 -4.392 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 159.885 -12.660 -5.644 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 158.226 -12.713 -6.003 1.00 2.20 H new ATOM 1156 N ARG A 70 163.683 -12.916 -9.922 1.00 0.63 N ATOM 1157 CA ARG A 70 164.444 -13.168 -11.179 1.00 0.65 C ATOM 1158 C ARG A 70 165.931 -13.356 -10.867 1.00 0.58 C ATOM 1159 O ARG A 70 166.561 -14.284 -11.334 1.00 0.58 O ATOM 1160 CB ARG A 70 164.230 -11.914 -12.027 1.00 0.73 C ATOM 1161 CG ARG A 70 164.365 -12.271 -13.508 1.00 1.29 C ATOM 1162 CD ARG A 70 162.995 -12.173 -14.183 1.00 1.30 C ATOM 1163 NE ARG A 70 163.280 -11.714 -15.570 1.00 1.67 N ATOM 1164 CZ ARG A 70 162.487 -12.059 -16.547 1.00 2.27 C ATOM 1165 NH1 ARG A 70 162.525 -13.275 -17.019 1.00 2.72 N ATOM 1166 NH2 ARG A 70 161.655 -11.188 -17.052 1.00 3.01 N ATOM 0 H ARG A 70 163.315 -11.970 -9.819 1.00 0.63 H new ATOM 0 HA ARG A 70 164.110 -14.070 -11.692 1.00 0.65 H new ATOM 0 HB2 ARG A 70 163.243 -11.494 -11.832 1.00 0.73 H new ATOM 0 HB3 ARG A 70 164.960 -11.151 -11.758 1.00 0.73 H new ATOM 0 HG2 ARG A 70 165.070 -11.596 -13.993 1.00 1.29 H new ATOM 0 HG3 ARG A 70 164.764 -13.280 -13.615 1.00 1.29 H new ATOM 0 HD2 ARG A 70 162.485 -13.137 -14.183 1.00 1.30 H new ATOM 0 HD3 ARG A 70 162.347 -11.470 -13.660 1.00 1.30 H new ATOM 0 HE ARG A 70 164.095 -11.130 -15.757 1.00 1.67 H new ATOM 0 HH11 ARG A 70 163.174 -13.955 -16.624 1.00 2.72 H new ATOM 0 HH12 ARG A 70 161.905 -13.545 -17.783 1.00 2.72 H new ATOM 0 HH21 ARG A 70 161.625 -10.238 -16.683 1.00 3.01 H new ATOM 0 HH22 ARG A 70 161.035 -11.458 -17.816 1.00 3.01 H new ATOM 1180 N GLN A 71 166.496 -12.479 -10.082 1.00 0.52 N ATOM 1181 CA GLN A 71 167.944 -12.599 -9.743 1.00 0.49 C ATOM 1182 C GLN A 71 168.224 -13.925 -9.027 1.00 0.45 C ATOM 1183 O GLN A 71 168.765 -14.844 -9.609 1.00 0.48 O ATOM 1184 CB GLN A 71 168.232 -11.415 -8.821 1.00 0.45 C ATOM 1185 CG GLN A 71 168.126 -10.113 -9.618 1.00 0.80 C ATOM 1186 CD GLN A 71 168.939 -10.235 -10.908 1.00 0.99 C ATOM 1187 OE1 GLN A 71 170.111 -10.550 -10.873 1.00 1.89 O ATOM 1188 NE2 GLN A 71 168.361 -9.998 -12.054 1.00 1.51 N ATOM 0 H GLN A 71 166.017 -11.683 -9.660 1.00 0.52 H new ATOM 0 HA GLN A 71 168.575 -12.589 -10.631 1.00 0.49 H new ATOM 0 HB2 GLN A 71 167.525 -11.405 -7.992 1.00 0.45 H new ATOM 0 HB3 GLN A 71 169.228 -11.510 -8.389 1.00 0.45 H new ATOM 0 HG2 GLN A 71 167.083 -9.902 -9.852 1.00 0.80 H new ATOM 0 HG3 GLN A 71 168.494 -9.278 -9.021 1.00 0.80 H new ATOM 0 HE21 GLN A 71 167.376 -9.733 -12.084 1.00 1.51 H new ATOM 0 HE22 GLN A 71 168.894 -10.077 -12.920 1.00 1.51 H new ATOM 1197 N ASN A 72 167.875 -14.028 -7.769 1.00 0.42 N ATOM 1198 CA ASN A 72 168.137 -15.293 -7.019 1.00 0.42 C ATOM 1199 C ASN A 72 167.877 -16.516 -7.912 1.00 0.49 C ATOM 1200 O ASN A 72 168.462 -17.563 -7.722 1.00 0.54 O ATOM 1201 CB ASN A 72 167.187 -15.251 -5.811 1.00 0.44 C ATOM 1202 CG ASN A 72 165.884 -15.994 -6.118 1.00 0.54 C ATOM 1203 OD1 ASN A 72 164.829 -15.315 -6.461 1.00 0.96 O flip ATOM 1204 ND2 ASN A 72 165.830 -17.206 -6.044 1.00 0.71 N flip ATOM 0 H ASN A 72 167.420 -13.291 -7.230 1.00 0.42 H new ATOM 0 HA ASN A 72 169.175 -15.377 -6.698 1.00 0.42 H new ATOM 0 HB2 ASN A 72 167.672 -15.701 -4.945 1.00 0.44 H new ATOM 0 HB3 ASN A 72 166.968 -14.215 -5.551 1.00 0.44 H new ATOM 0 HD21 ASN A 72 166.658 -17.738 -5.775 1.00 0.71 H new ATOM 0 HD22 ASN A 72 164.957 -17.691 -6.251 1.00 0.71 H new ATOM 1211 N ALA A 73 167.022 -16.392 -8.894 1.00 0.53 N ATOM 1212 CA ALA A 73 166.764 -17.551 -9.792 1.00 0.61 C ATOM 1213 C ALA A 73 167.965 -17.744 -10.718 1.00 0.58 C ATOM 1214 O ALA A 73 168.484 -18.834 -10.875 1.00 0.60 O ATOM 1215 CB ALA A 73 165.521 -17.166 -10.595 1.00 0.69 C ATOM 0 H ALA A 73 166.496 -15.545 -9.110 1.00 0.53 H new ATOM 0 HA ALA A 73 166.613 -18.483 -9.248 1.00 0.61 H new ATOM 0 HB1 ALA A 73 165.267 -17.973 -11.282 1.00 0.69 H new ATOM 0 HB2 ALA A 73 164.687 -16.993 -9.914 1.00 0.69 H new ATOM 0 HB3 ALA A 73 165.721 -16.257 -11.162 1.00 0.69 H new ATOM 1221 N LEU A 74 168.419 -16.680 -11.320 1.00 0.56 N ATOM 1222 CA LEU A 74 169.594 -16.776 -12.228 1.00 0.57 C ATOM 1223 C LEU A 74 170.862 -16.968 -11.395 1.00 0.51 C ATOM 1224 O LEU A 74 171.768 -17.686 -11.774 1.00 0.56 O ATOM 1225 CB LEU A 74 169.635 -15.440 -12.974 1.00 0.62 C ATOM 1226 CG LEU A 74 168.239 -15.089 -13.500 1.00 1.10 C ATOM 1227 CD1 LEU A 74 167.999 -13.587 -13.344 1.00 1.69 C ATOM 1228 CD2 LEU A 74 168.143 -15.467 -14.978 1.00 1.84 C ATOM 0 H LEU A 74 168.024 -15.745 -11.221 1.00 0.56 H new ATOM 0 HA LEU A 74 169.525 -17.616 -12.919 1.00 0.57 H new ATOM 0 HB2 LEU A 74 169.990 -14.653 -12.308 1.00 0.62 H new ATOM 0 HB3 LEU A 74 170.341 -15.499 -13.803 1.00 0.62 H new ATOM 0 HG LEU A 74 167.488 -15.639 -12.933 1.00 1.10 H new ATOM 0 HD11 LEU A 74 167.006 -13.336 -13.718 1.00 1.69 H new ATOM 0 HD12 LEU A 74 168.070 -13.315 -12.291 1.00 1.69 H new ATOM 0 HD13 LEU A 74 168.750 -13.038 -13.912 1.00 1.69 H new ATOM 0 HD21 LEU A 74 167.151 -15.218 -15.354 1.00 1.84 H new ATOM 0 HD22 LEU A 74 168.894 -14.916 -15.544 1.00 1.84 H new ATOM 0 HD23 LEU A 74 168.316 -16.537 -15.092 1.00 1.84 H new ATOM 1240 N LEU A 75 170.924 -16.339 -10.251 1.00 0.44 N ATOM 1241 CA LEU A 75 172.122 -16.494 -9.385 1.00 0.40 C ATOM 1242 C LEU A 75 172.320 -17.973 -9.054 1.00 0.41 C ATOM 1243 O LEU A 75 173.373 -18.538 -9.274 1.00 0.44 O ATOM 1244 CB LEU A 75 171.797 -15.712 -8.115 1.00 0.38 C ATOM 1245 CG LEU A 75 172.108 -14.225 -8.306 1.00 0.46 C ATOM 1246 CD1 LEU A 75 170.830 -13.410 -8.115 1.00 0.45 C ATOM 1247 CD2 LEU A 75 173.135 -13.781 -7.263 1.00 0.54 C ATOM 0 H LEU A 75 170.197 -15.726 -9.882 1.00 0.44 H new ATOM 0 HA LEU A 75 173.033 -16.134 -9.862 1.00 0.40 H new ATOM 0 HB2 LEU A 75 170.745 -15.840 -7.862 1.00 0.38 H new ATOM 0 HB3 LEU A 75 172.376 -16.106 -7.280 1.00 0.38 H new ATOM 0 HG LEU A 75 172.504 -14.066 -9.309 1.00 0.46 H new ATOM 0 HD11 LEU A 75 171.050 -12.351 -8.251 1.00 0.45 H new ATOM 0 HD12 LEU A 75 170.086 -13.723 -8.848 1.00 0.45 H new ATOM 0 HD13 LEU A 75 170.441 -13.574 -7.110 1.00 0.45 H new ATOM 0 HD21 LEU A 75 173.357 -12.722 -7.398 1.00 0.54 H new ATOM 0 HD22 LEU A 75 172.731 -13.942 -6.263 1.00 0.54 H new ATOM 0 HD23 LEU A 75 174.050 -14.362 -7.383 1.00 0.54 H new ATOM 1259 N GLU A 76 171.305 -18.603 -8.526 1.00 0.43 N ATOM 1260 CA GLU A 76 171.415 -20.047 -8.179 1.00 0.47 C ATOM 1261 C GLU A 76 171.905 -20.842 -9.390 1.00 0.51 C ATOM 1262 O GLU A 76 172.792 -21.666 -9.286 1.00 0.57 O ATOM 1263 CB GLU A 76 169.997 -20.472 -7.797 1.00 0.53 C ATOM 1264 CG GLU A 76 169.869 -20.512 -6.273 1.00 0.65 C ATOM 1265 CD GLU A 76 168.793 -21.525 -5.878 1.00 0.78 C ATOM 1266 OE1 GLU A 76 167.625 -21.178 -5.952 1.00 1.65 O ATOM 1267 OE2 GLU A 76 169.154 -22.630 -5.509 1.00 0.92 O ATOM 0 H GLU A 76 170.402 -18.177 -8.320 1.00 0.43 H new ATOM 0 HA GLU A 76 172.125 -20.226 -7.371 1.00 0.47 H new ATOM 0 HB2 GLU A 76 169.272 -19.774 -8.215 1.00 0.53 H new ATOM 0 HB3 GLU A 76 169.774 -21.453 -8.217 1.00 0.53 H new ATOM 0 HG2 GLU A 76 170.824 -20.786 -5.824 1.00 0.65 H new ATOM 0 HG3 GLU A 76 169.610 -19.524 -5.893 1.00 0.65 H new ATOM 1274 N GLN A 77 171.338 -20.600 -10.541 1.00 0.51 N ATOM 1275 CA GLN A 77 171.782 -21.345 -11.754 1.00 0.58 C ATOM 1276 C GLN A 77 173.299 -21.214 -11.923 1.00 0.58 C ATOM 1277 O GLN A 77 173.931 -22.009 -12.591 1.00 0.63 O ATOM 1278 CB GLN A 77 171.049 -20.684 -12.921 1.00 0.62 C ATOM 1279 CG GLN A 77 170.380 -21.761 -13.777 1.00 0.74 C ATOM 1280 CD GLN A 77 168.885 -21.811 -13.458 1.00 1.26 C ATOM 1281 OE1 GLN A 77 168.122 -20.999 -13.943 1.00 1.80 O ATOM 1282 NE2 GLN A 77 168.432 -22.736 -12.658 1.00 1.88 N ATOM 0 H GLN A 77 170.591 -19.923 -10.694 1.00 0.51 H new ATOM 0 HA GLN A 77 171.559 -22.410 -11.691 1.00 0.58 H new ATOM 0 HB2 GLN A 77 170.301 -19.985 -12.546 1.00 0.62 H new ATOM 0 HB3 GLN A 77 171.750 -20.107 -13.525 1.00 0.62 H new ATOM 0 HG2 GLN A 77 170.530 -21.545 -14.835 1.00 0.74 H new ATOM 0 HG3 GLN A 77 170.837 -22.731 -13.582 1.00 0.74 H new ATOM 0 HE21 GLN A 77 169.073 -23.417 -12.251 1.00 1.88 H new ATOM 0 HE22 GLN A 77 167.437 -22.778 -12.439 1.00 1.88 H new ATOM 1291 N GLN A 78 173.892 -20.231 -11.299 1.00 0.59 N ATOM 1292 CA GLN A 78 175.369 -20.064 -11.406 1.00 0.64 C ATOM 1293 C GLN A 78 175.993 -20.499 -10.088 1.00 0.60 C ATOM 1294 O GLN A 78 176.980 -21.208 -10.045 1.00 0.63 O ATOM 1295 CB GLN A 78 175.591 -18.569 -11.643 1.00 0.69 C ATOM 1296 CG GLN A 78 177.090 -18.289 -11.774 1.00 0.67 C ATOM 1297 CD GLN A 78 177.351 -17.487 -13.051 1.00 0.83 C ATOM 1298 OE1 GLN A 78 177.708 -16.327 -12.991 1.00 1.37 O ATOM 1299 NE2 GLN A 78 177.189 -18.060 -14.212 1.00 1.56 N ATOM 0 H GLN A 78 173.417 -19.538 -10.721 1.00 0.59 H new ATOM 0 HA GLN A 78 175.814 -20.656 -12.206 1.00 0.64 H new ATOM 0 HB2 GLN A 78 175.071 -18.252 -12.547 1.00 0.69 H new ATOM 0 HB3 GLN A 78 175.174 -17.993 -10.817 1.00 0.69 H new ATOM 0 HG2 GLN A 78 177.444 -17.734 -10.905 1.00 0.67 H new ATOM 0 HG3 GLN A 78 177.645 -19.227 -11.801 1.00 0.67 H new ATOM 0 HE21 GLN A 78 176.889 -19.034 -14.263 1.00 1.56 H new ATOM 0 HE22 GLN A 78 177.362 -17.534 -15.069 1.00 1.56 H new ATOM 1308 N VAL A 79 175.387 -20.092 -9.013 1.00 0.59 N ATOM 1309 CA VAL A 79 175.881 -20.477 -7.670 1.00 0.60 C ATOM 1310 C VAL A 79 176.012 -22.005 -7.587 1.00 0.63 C ATOM 1311 O VAL A 79 176.929 -22.527 -6.984 1.00 0.68 O ATOM 1312 CB VAL A 79 174.796 -19.932 -6.727 1.00 0.64 C ATOM 1313 CG1 VAL A 79 174.478 -20.937 -5.622 1.00 0.73 C ATOM 1314 CG2 VAL A 79 175.289 -18.631 -6.093 1.00 0.72 C ATOM 0 H VAL A 79 174.557 -19.499 -9.010 1.00 0.59 H new ATOM 0 HA VAL A 79 176.867 -20.084 -7.423 1.00 0.60 H new ATOM 0 HB VAL A 79 173.890 -19.753 -7.307 1.00 0.64 H new ATOM 0 HG11 VAL A 79 173.708 -20.528 -4.968 1.00 0.73 H new ATOM 0 HG12 VAL A 79 174.121 -21.866 -6.067 1.00 0.73 H new ATOM 0 HG13 VAL A 79 175.379 -21.136 -5.041 1.00 0.73 H new ATOM 0 HG21 VAL A 79 174.523 -18.240 -5.423 1.00 0.72 H new ATOM 0 HG22 VAL A 79 176.201 -18.824 -5.528 1.00 0.72 H new ATOM 0 HG23 VAL A 79 175.495 -17.900 -6.875 1.00 0.72 H new ATOM 1741 N ILE B 19 130.675 13.327 5.348 1.00 1.19 N ATOM 1742 CA ILE B 19 131.266 12.360 4.385 1.00 1.05 C ATOM 1743 C ILE B 19 131.382 13.011 3.009 1.00 0.94 C ATOM 1744 O ILE B 19 132.464 13.110 2.484 1.00 0.95 O ATOM 1745 CB ILE B 19 130.368 11.116 4.364 1.00 1.28 C ATOM 1746 CG1 ILE B 19 128.902 11.472 4.133 1.00 1.91 C ATOM 1747 CG2 ILE B 19 130.501 10.382 5.699 1.00 1.51 C ATOM 1748 CD1 ILE B 19 128.063 10.242 4.476 1.00 1.99 C ATOM 0 HA ILE B 19 132.272 12.065 4.682 1.00 1.05 H new ATOM 0 HB ILE B 19 130.692 10.483 3.538 1.00 1.28 H new ATOM 0 HG12 ILE B 19 128.612 12.318 4.756 1.00 1.91 H new ATOM 0 HG13 ILE B 19 128.740 11.768 3.097 1.00 1.91 H new ATOM 0 HG21 ILE B 19 129.866 9.496 5.692 1.00 1.51 H new ATOM 0 HG22 ILE B 19 131.539 10.083 5.848 1.00 1.51 H new ATOM 0 HG23 ILE B 19 130.194 11.043 6.510 1.00 1.51 H new ATOM 0 HD11 ILE B 19 127.008 10.466 4.320 1.00 1.99 H new ATOM 0 HD12 ILE B 19 128.356 9.411 3.834 1.00 1.99 H new ATOM 0 HD13 ILE B 19 128.226 9.970 5.519 1.00 1.99 H new ATOM 1760 N LYS B 20 130.292 13.468 2.431 1.00 0.98 N ATOM 1761 CA LYS B 20 130.364 14.136 1.082 1.00 1.01 C ATOM 1762 C LYS B 20 131.736 14.783 0.881 1.00 0.95 C ATOM 1763 O LYS B 20 132.423 14.518 -0.085 1.00 0.98 O ATOM 1764 CB LYS B 20 129.283 15.211 1.101 1.00 1.24 C ATOM 1765 CG LYS B 20 127.902 14.553 1.101 1.00 1.39 C ATOM 1766 CD LYS B 20 127.349 14.531 -0.326 1.00 1.83 C ATOM 1767 CE LYS B 20 126.921 15.944 -0.727 1.00 2.31 C ATOM 1768 NZ LYS B 20 125.460 15.839 -0.996 1.00 2.83 N ATOM 0 H LYS B 20 129.356 13.409 2.832 1.00 0.98 H new ATOM 0 HA LYS B 20 130.218 13.421 0.272 1.00 1.01 H new ATOM 0 HB2 LYS B 20 129.397 15.840 1.984 1.00 1.24 H new ATOM 0 HB3 LYS B 20 129.387 15.861 0.232 1.00 1.24 H new ATOM 0 HG2 LYS B 20 127.971 13.538 1.492 1.00 1.39 H new ATOM 0 HG3 LYS B 20 127.226 15.102 1.756 1.00 1.39 H new ATOM 0 HD2 LYS B 20 128.107 14.159 -1.016 1.00 1.83 H new ATOM 0 HD3 LYS B 20 126.500 13.850 -0.388 1.00 1.83 H new ATOM 0 HE2 LYS B 20 127.126 16.660 0.069 1.00 2.31 H new ATOM 0 HE3 LYS B 20 127.462 16.285 -1.610 1.00 2.31 H new ATOM 0 HZ1 LYS B 20 125.091 16.770 -1.278 1.00 2.83 H new ATOM 0 HZ2 LYS B 20 125.296 15.155 -1.762 1.00 2.83 H new ATOM 0 HZ3 LYS B 20 124.971 15.518 -0.136 1.00 2.83 H new ATOM 1782 N ASP B 21 132.158 15.600 1.809 1.00 0.95 N ATOM 1783 CA ASP B 21 133.505 16.217 1.681 1.00 1.01 C ATOM 1784 C ASP B 21 134.523 15.089 1.519 1.00 0.99 C ATOM 1785 O ASP B 21 135.197 14.977 0.512 1.00 1.03 O ATOM 1786 CB ASP B 21 133.731 16.971 2.992 1.00 1.16 C ATOM 1787 CG ASP B 21 133.245 18.414 2.843 1.00 2.09 C ATOM 1788 OD1 ASP B 21 132.443 18.660 1.958 1.00 2.71 O ATOM 1789 OD2 ASP B 21 133.683 19.249 3.618 1.00 2.72 O ATOM 0 H ASP B 21 131.632 15.864 2.642 1.00 0.95 H new ATOM 0 HA ASP B 21 133.598 16.889 0.828 1.00 1.01 H new ATOM 0 HB2 ASP B 21 133.196 16.478 3.804 1.00 1.16 H new ATOM 0 HB3 ASP B 21 134.789 16.958 3.253 1.00 1.16 H new ATOM 1794 N SER B 22 134.608 14.220 2.491 1.00 1.00 N ATOM 1795 CA SER B 22 135.546 13.073 2.366 1.00 1.09 C ATOM 1796 C SER B 22 135.187 12.301 1.095 1.00 1.00 C ATOM 1797 O SER B 22 136.034 11.981 0.284 1.00 1.03 O ATOM 1798 CB SER B 22 135.305 12.220 3.610 1.00 1.27 C ATOM 1799 OG SER B 22 135.617 10.865 3.318 1.00 1.82 O ATOM 0 H SER B 22 134.072 14.256 3.358 1.00 1.00 H new ATOM 0 HA SER B 22 136.592 13.371 2.297 1.00 1.09 H new ATOM 0 HB2 SER B 22 135.921 12.577 4.435 1.00 1.27 H new ATOM 0 HB3 SER B 22 134.266 12.306 3.928 1.00 1.27 H new ATOM 0 HG SER B 22 136.433 10.607 3.796 1.00 1.82 H new ATOM 1805 N PHE B 23 133.922 12.027 0.907 1.00 0.95 N ATOM 1806 CA PHE B 23 133.483 11.310 -0.319 1.00 0.96 C ATOM 1807 C PHE B 23 134.205 11.912 -1.520 1.00 0.86 C ATOM 1808 O PHE B 23 134.891 11.225 -2.251 1.00 0.89 O ATOM 1809 CB PHE B 23 131.982 11.584 -0.424 1.00 1.07 C ATOM 1810 CG PHE B 23 131.184 10.497 0.261 1.00 0.83 C ATOM 1811 CD1 PHE B 23 131.565 9.154 0.156 1.00 1.52 C ATOM 1812 CD2 PHE B 23 130.040 10.839 0.992 1.00 1.34 C ATOM 1813 CE1 PHE B 23 130.801 8.166 0.783 1.00 1.62 C ATOM 1814 CE2 PHE B 23 129.281 9.851 1.614 1.00 1.35 C ATOM 1815 CZ PHE B 23 129.659 8.518 1.512 1.00 1.03 C ATOM 0 H PHE B 23 133.173 12.272 1.555 1.00 0.95 H new ATOM 0 HA PHE B 23 133.698 10.242 -0.287 1.00 0.96 H new ATOM 0 HB2 PHE B 23 131.752 12.549 0.028 1.00 1.07 H new ATOM 0 HB3 PHE B 23 131.693 11.647 -1.473 1.00 1.07 H new ATOM 0 HD1 PHE B 23 132.446 8.883 -0.407 1.00 1.52 H new ATOM 0 HD2 PHE B 23 129.745 11.875 1.074 1.00 1.34 H new ATOM 0 HE1 PHE B 23 131.092 7.129 0.705 1.00 1.62 H new ATOM 0 HE2 PHE B 23 128.399 10.121 2.176 1.00 1.35 H new ATOM 0 HZ PHE B 23 129.071 7.752 1.996 1.00 1.03 H new ATOM 1825 N HIS B 24 134.065 13.202 -1.720 1.00 0.84 N ATOM 1826 CA HIS B 24 134.761 13.852 -2.868 1.00 0.88 C ATOM 1827 C HIS B 24 136.185 13.301 -2.960 1.00 0.86 C ATOM 1828 O HIS B 24 136.639 12.901 -4.014 1.00 0.87 O ATOM 1829 CB HIS B 24 134.768 15.351 -2.544 1.00 0.97 C ATOM 1830 CG HIS B 24 135.869 16.036 -3.311 1.00 1.36 C ATOM 1831 ND1 HIS B 24 136.880 16.742 -2.678 1.00 2.01 N ATOM 1832 CD2 HIS B 24 136.131 16.128 -4.655 1.00 1.95 C ATOM 1833 CE1 HIS B 24 137.697 17.223 -3.633 1.00 2.41 C ATOM 1834 NE2 HIS B 24 137.286 16.878 -4.857 1.00 2.34 N ATOM 0 H HIS B 24 133.503 13.825 -1.141 1.00 0.84 H new ATOM 0 HA HIS B 24 134.274 13.663 -3.825 1.00 0.88 H new ATOM 0 HB2 HIS B 24 133.805 15.792 -2.801 1.00 0.97 H new ATOM 0 HB3 HIS B 24 134.911 15.500 -1.474 1.00 0.97 H new ATOM 0 HD2 HIS B 24 135.532 15.686 -5.437 1.00 1.95 H new ATOM 0 HE1 HIS B 24 138.578 17.816 -3.434 1.00 2.41 H new ATOM 0 HE2 HIS B 24 137.724 17.114 -5.747 1.00 2.34 H new ATOM 1842 N SER B 25 136.884 13.247 -1.858 1.00 0.95 N ATOM 1843 CA SER B 25 138.263 12.685 -1.894 1.00 1.05 C ATOM 1844 C SER B 25 138.177 11.215 -2.308 1.00 0.93 C ATOM 1845 O SER B 25 138.854 10.765 -3.215 1.00 0.96 O ATOM 1846 CB SER B 25 138.793 12.822 -0.468 1.00 1.27 C ATOM 1847 OG SER B 25 140.084 13.416 -0.505 1.00 1.36 O ATOM 0 H SER B 25 136.563 13.565 -0.943 1.00 0.95 H new ATOM 0 HA SER B 25 138.917 13.194 -2.602 1.00 1.05 H new ATOM 0 HB2 SER B 25 138.115 13.433 0.128 1.00 1.27 H new ATOM 0 HB3 SER B 25 138.843 11.844 0.010 1.00 1.27 H new ATOM 0 HG SER B 25 140.428 13.508 0.408 1.00 1.36 H new ATOM 1853 N LEU B 26 137.320 10.468 -1.666 1.00 0.92 N ATOM 1854 CA LEU B 26 137.160 9.039 -2.041 1.00 0.96 C ATOM 1855 C LEU B 26 136.866 8.964 -3.539 1.00 0.85 C ATOM 1856 O LEU B 26 137.352 8.097 -4.246 1.00 0.86 O ATOM 1857 CB LEU B 26 135.970 8.550 -1.215 1.00 1.12 C ATOM 1858 CG LEU B 26 136.473 8.035 0.135 1.00 1.31 C ATOM 1859 CD1 LEU B 26 135.612 8.614 1.257 1.00 1.52 C ATOM 1860 CD2 LEU B 26 136.393 6.507 0.173 1.00 1.63 C ATOM 0 H LEU B 26 136.726 10.787 -0.900 1.00 0.92 H new ATOM 0 HA LEU B 26 138.044 8.432 -1.849 1.00 0.96 H new ATOM 0 HB2 LEU B 26 135.258 9.361 -1.066 1.00 1.12 H new ATOM 0 HB3 LEU B 26 135.444 7.757 -1.747 1.00 1.12 H new ATOM 0 HG LEU B 26 137.509 8.345 0.270 1.00 1.31 H new ATOM 0 HD11 LEU B 26 135.971 8.246 2.218 1.00 1.52 H new ATOM 0 HD12 LEU B 26 135.674 9.702 1.239 1.00 1.52 H new ATOM 0 HD13 LEU B 26 134.576 8.307 1.116 1.00 1.52 H new ATOM 0 HD21 LEU B 26 136.753 6.148 1.137 1.00 1.63 H new ATOM 0 HD22 LEU B 26 135.359 6.193 0.032 1.00 1.63 H new ATOM 0 HD23 LEU B 26 137.010 6.090 -0.623 1.00 1.63 H new ATOM 1872 N ARG B 27 136.096 9.899 -4.032 1.00 0.86 N ATOM 1873 CA ARG B 27 135.796 9.919 -5.487 1.00 0.93 C ATOM 1874 C ARG B 27 137.119 9.887 -6.245 1.00 0.86 C ATOM 1875 O ARG B 27 137.232 9.313 -7.310 1.00 0.96 O ATOM 1876 CB ARG B 27 135.069 11.244 -5.725 1.00 1.07 C ATOM 1877 CG ARG B 27 134.233 11.151 -7.002 1.00 1.09 C ATOM 1878 CD ARG B 27 132.882 10.509 -6.681 1.00 1.11 C ATOM 1879 NE ARG B 27 131.970 10.965 -7.765 1.00 1.55 N ATOM 1880 CZ ARG B 27 131.030 10.172 -8.202 1.00 1.93 C ATOM 1881 NH1 ARG B 27 129.954 9.982 -7.489 1.00 2.45 N ATOM 1882 NH2 ARG B 27 131.166 9.569 -9.351 1.00 2.34 N ATOM 0 H ARG B 27 135.665 10.646 -3.488 1.00 0.86 H new ATOM 0 HA ARG B 27 135.192 9.074 -5.819 1.00 0.93 H new ATOM 0 HB2 ARG B 27 134.427 11.476 -4.875 1.00 1.07 H new ATOM 0 HB3 ARG B 27 135.791 12.056 -5.810 1.00 1.07 H new ATOM 0 HG2 ARG B 27 134.084 12.144 -7.425 1.00 1.09 H new ATOM 0 HG3 ARG B 27 134.759 10.561 -7.752 1.00 1.09 H new ATOM 0 HD2 ARG B 27 132.957 9.422 -6.660 1.00 1.11 H new ATOM 0 HD3 ARG B 27 132.519 10.822 -5.702 1.00 1.11 H new ATOM 0 HE ARG B 27 132.079 11.896 -8.166 1.00 1.55 H new ATOM 0 HH11 ARG B 27 129.848 10.453 -6.591 1.00 2.45 H new ATOM 0 HH12 ARG B 27 129.219 9.362 -7.830 1.00 2.45 H new ATOM 0 HH21 ARG B 27 132.007 9.717 -9.908 1.00 2.34 H new ATOM 0 HH22 ARG B 27 130.431 8.949 -9.692 1.00 2.34 H new ATOM 1896 N ASP B 28 138.131 10.489 -5.679 1.00 0.86 N ATOM 1897 CA ASP B 28 139.464 10.485 -6.334 1.00 0.89 C ATOM 1898 C ASP B 28 140.015 9.062 -6.326 1.00 0.82 C ATOM 1899 O ASP B 28 140.793 8.680 -7.177 1.00 0.86 O ATOM 1900 CB ASP B 28 140.332 11.410 -5.478 1.00 1.04 C ATOM 1901 CG ASP B 28 141.686 11.618 -6.157 1.00 1.25 C ATOM 1902 OD1 ASP B 28 141.707 12.209 -7.224 1.00 1.66 O ATOM 1903 OD2 ASP B 28 142.680 11.185 -5.596 1.00 1.76 O ATOM 0 H ASP B 28 138.088 10.984 -4.788 1.00 0.86 H new ATOM 0 HA ASP B 28 139.432 10.820 -7.371 1.00 0.89 H new ATOM 0 HB2 ASP B 28 139.832 12.369 -5.340 1.00 1.04 H new ATOM 0 HB3 ASP B 28 140.473 10.978 -4.487 1.00 1.04 H new ATOM 1908 N SER B 29 139.597 8.264 -5.377 1.00 0.76 N ATOM 1909 CA SER B 29 140.081 6.858 -5.333 1.00 0.76 C ATOM 1910 C SER B 29 139.552 6.117 -6.559 1.00 0.71 C ATOM 1911 O SER B 29 140.272 5.867 -7.504 1.00 0.76 O ATOM 1912 CB SER B 29 139.496 6.267 -4.050 1.00 0.83 C ATOM 1913 OG SER B 29 139.944 7.027 -2.937 1.00 1.24 O ATOM 0 H SER B 29 138.946 8.526 -4.637 1.00 0.76 H new ATOM 0 HA SER B 29 141.168 6.782 -5.340 1.00 0.76 H new ATOM 0 HB2 SER B 29 138.407 6.275 -4.096 1.00 0.83 H new ATOM 0 HB3 SER B 29 139.803 5.227 -3.942 1.00 0.83 H new ATOM 0 HG SER B 29 139.570 6.652 -2.113 1.00 1.24 H new ATOM 1919 N VAL B 30 138.294 5.783 -6.562 1.00 0.70 N ATOM 1920 CA VAL B 30 137.725 5.076 -7.744 1.00 0.72 C ATOM 1921 C VAL B 30 136.810 6.036 -8.510 1.00 0.75 C ATOM 1922 O VAL B 30 135.710 6.318 -8.080 1.00 0.79 O ATOM 1923 CB VAL B 30 136.928 3.887 -7.188 1.00 0.76 C ATOM 1924 CG1 VAL B 30 136.932 2.758 -8.217 1.00 0.85 C ATOM 1925 CG2 VAL B 30 137.570 3.374 -5.893 1.00 0.83 C ATOM 0 H VAL B 30 137.637 5.967 -5.803 1.00 0.70 H new ATOM 0 HA VAL B 30 138.497 4.732 -8.432 1.00 0.72 H new ATOM 0 HB VAL B 30 135.908 4.212 -6.980 1.00 0.76 H new ATOM 0 HG11 VAL B 30 136.368 1.910 -7.829 1.00 0.85 H new ATOM 0 HG12 VAL B 30 136.473 3.107 -9.142 1.00 0.85 H new ATOM 0 HG13 VAL B 30 137.959 2.450 -8.416 1.00 0.85 H new ATOM 0 HG21 VAL B 30 136.994 2.531 -5.510 1.00 0.83 H new ATOM 0 HG22 VAL B 30 138.592 3.053 -6.096 1.00 0.83 H new ATOM 0 HG23 VAL B 30 137.581 4.173 -5.151 1.00 0.83 H new ATOM 2095 N GLN B 42 129.161 5.133 -2.757 1.00 0.77 N ATOM 2096 CA GLN B 42 129.862 4.722 -3.992 1.00 0.96 C ATOM 2097 C GLN B 42 131.284 4.256 -3.667 1.00 0.95 C ATOM 2098 O GLN B 42 131.633 3.097 -3.847 1.00 1.18 O ATOM 2099 CB GLN B 42 129.880 5.971 -4.867 1.00 1.18 C ATOM 2100 CG GLN B 42 128.501 6.626 -4.892 1.00 1.42 C ATOM 2101 CD GLN B 42 128.578 7.930 -4.104 1.00 1.68 C ATOM 2102 OE1 GLN B 42 127.704 8.242 -3.324 1.00 2.48 O ATOM 2103 NE2 GLN B 42 129.607 8.706 -4.271 1.00 1.73 N ATOM 0 HA GLN B 42 129.371 3.887 -4.491 1.00 0.96 H new ATOM 0 HB2 GLN B 42 130.618 6.678 -4.487 1.00 1.18 H new ATOM 0 HB3 GLN B 42 130.183 5.708 -5.881 1.00 1.18 H new ATOM 0 HG2 GLN B 42 128.191 6.820 -5.919 1.00 1.42 H new ATOM 0 HG3 GLN B 42 127.756 5.961 -4.455 1.00 1.42 H new ATOM 0 HE21 GLN B 42 130.342 8.444 -4.927 1.00 1.73 H new ATOM 0 HE22 GLN B 42 129.679 9.577 -3.746 1.00 1.73 H new ATOM 2112 N ILE B 43 132.111 5.136 -3.182 1.00 0.85 N ATOM 2113 CA ILE B 43 133.496 4.715 -2.855 1.00 0.92 C ATOM 2114 C ILE B 43 133.495 3.851 -1.599 1.00 0.82 C ATOM 2115 O ILE B 43 134.401 3.090 -1.376 1.00 0.75 O ATOM 2116 CB ILE B 43 134.302 5.991 -2.636 1.00 1.18 C ATOM 2117 CG1 ILE B 43 133.870 7.061 -3.643 1.00 1.66 C ATOM 2118 CG2 ILE B 43 135.786 5.676 -2.843 1.00 1.84 C ATOM 2119 CD1 ILE B 43 133.163 8.199 -2.907 1.00 2.40 C ATOM 0 H ILE B 43 131.891 6.115 -3.000 1.00 0.85 H new ATOM 0 HA ILE B 43 133.932 4.120 -3.658 1.00 0.92 H new ATOM 0 HB ILE B 43 134.131 6.362 -1.625 1.00 1.18 H new ATOM 0 HG12 ILE B 43 134.739 7.444 -4.178 1.00 1.66 H new ATOM 0 HG13 ILE B 43 133.204 6.626 -4.388 1.00 1.66 H new ATOM 0 HG21 ILE B 43 136.375 6.580 -2.689 1.00 1.84 H new ATOM 0 HG22 ILE B 43 136.099 4.914 -2.130 1.00 1.84 H new ATOM 0 HG23 ILE B 43 135.942 5.309 -3.858 1.00 1.84 H new ATOM 0 HD11 ILE B 43 132.856 8.960 -3.624 1.00 2.40 H new ATOM 0 HD12 ILE B 43 132.285 7.809 -2.393 1.00 2.40 H new ATOM 0 HD13 ILE B 43 133.844 8.640 -2.179 1.00 2.40 H new ATOM 2131 N LEU B 44 132.482 3.932 -0.781 1.00 0.90 N ATOM 2132 CA LEU B 44 132.472 3.063 0.428 1.00 0.90 C ATOM 2133 C LEU B 44 132.467 1.611 -0.036 1.00 0.79 C ATOM 2134 O LEU B 44 133.312 0.828 0.340 1.00 0.73 O ATOM 2135 CB LEU B 44 131.192 3.418 1.197 1.00 0.99 C ATOM 2136 CG LEU B 44 131.114 4.937 1.415 1.00 0.91 C ATOM 2137 CD1 LEU B 44 130.340 5.253 2.700 1.00 0.84 C ATOM 2138 CD2 LEU B 44 132.512 5.528 1.549 1.00 1.55 C ATOM 0 H LEU B 44 131.677 4.548 -0.893 1.00 0.90 H new ATOM 0 HA LEU B 44 133.340 3.207 1.071 1.00 0.90 H new ATOM 0 HB2 LEU B 44 130.318 3.077 0.642 1.00 0.99 H new ATOM 0 HB3 LEU B 44 131.181 2.903 2.158 1.00 0.99 H new ATOM 0 HG LEU B 44 130.605 5.370 0.554 1.00 0.91 H new ATOM 0 HD11 LEU B 44 130.293 6.333 2.840 1.00 0.84 H new ATOM 0 HD12 LEU B 44 129.329 4.853 2.623 1.00 0.84 H new ATOM 0 HD13 LEU B 44 130.847 4.798 3.551 1.00 0.84 H new ATOM 0 HD21 LEU B 44 132.439 6.605 1.703 1.00 1.55 H new ATOM 0 HD22 LEU B 44 133.019 5.074 2.400 1.00 1.55 H new ATOM 0 HD23 LEU B 44 133.080 5.329 0.640 1.00 1.55 H new ATOM 2150 N ASP B 45 131.547 1.253 -0.889 1.00 0.91 N ATOM 2151 CA ASP B 45 131.531 -0.141 -1.403 1.00 0.87 C ATOM 2152 C ASP B 45 132.935 -0.493 -1.899 1.00 0.73 C ATOM 2153 O ASP B 45 133.539 -1.458 -1.464 1.00 0.66 O ATOM 2154 CB ASP B 45 130.534 -0.130 -2.563 1.00 1.04 C ATOM 2155 CG ASP B 45 130.456 -1.527 -3.182 1.00 1.80 C ATOM 2156 OD1 ASP B 45 129.681 -2.329 -2.689 1.00 2.42 O ATOM 2157 OD2 ASP B 45 131.173 -1.770 -4.139 1.00 2.49 O ATOM 0 H ASP B 45 130.812 1.862 -1.249 1.00 0.91 H new ATOM 0 HA ASP B 45 131.248 -0.874 -0.648 1.00 0.87 H new ATOM 0 HB2 ASP B 45 129.550 0.178 -2.208 1.00 1.04 H new ATOM 0 HB3 ASP B 45 130.843 0.596 -3.315 1.00 1.04 H new ATOM 2162 N LYS B 46 133.471 0.299 -2.792 1.00 0.78 N ATOM 2163 CA LYS B 46 134.849 0.017 -3.293 1.00 0.75 C ATOM 2164 C LYS B 46 135.847 0.146 -2.141 1.00 0.65 C ATOM 2165 O LYS B 46 136.491 -0.805 -1.748 1.00 0.75 O ATOM 2166 CB LYS B 46 135.117 1.090 -4.348 1.00 0.90 C ATOM 2167 CG LYS B 46 135.784 0.456 -5.570 1.00 1.35 C ATOM 2168 CD LYS B 46 134.885 -0.646 -6.133 1.00 1.43 C ATOM 2169 CE LYS B 46 135.694 -1.936 -6.286 1.00 1.86 C ATOM 2170 NZ LYS B 46 135.236 -2.529 -7.574 1.00 2.14 N ATOM 0 H LYS B 46 133.019 1.121 -3.193 1.00 0.78 H new ATOM 0 HA LYS B 46 134.947 -0.988 -3.704 1.00 0.75 H new ATOM 0 HB2 LYS B 46 134.182 1.569 -4.639 1.00 0.90 H new ATOM 0 HB3 LYS B 46 135.758 1.868 -3.934 1.00 0.90 H new ATOM 0 HG2 LYS B 46 135.967 1.214 -6.331 1.00 1.35 H new ATOM 0 HG3 LYS B 46 136.754 0.042 -5.293 1.00 1.35 H new ATOM 0 HD2 LYS B 46 134.037 -0.813 -5.469 1.00 1.43 H new ATOM 0 HD3 LYS B 46 134.480 -0.342 -7.098 1.00 1.43 H new ATOM 0 HE2 LYS B 46 136.764 -1.731 -6.305 1.00 1.86 H new ATOM 0 HE3 LYS B 46 135.514 -2.615 -5.453 1.00 1.86 H new ATOM 0 HZ1 LYS B 46 135.747 -3.418 -7.748 1.00 2.14 H new ATOM 0 HZ2 LYS B 46 134.215 -2.720 -7.524 1.00 2.14 H new ATOM 0 HZ3 LYS B 46 135.426 -1.863 -8.350 1.00 2.14 H new ATOM 2184 N ALA B 47 135.968 1.328 -1.604 1.00 0.57 N ATOM 2185 CA ALA B 47 136.911 1.570 -0.468 1.00 0.61 C ATOM 2186 C ALA B 47 137.003 0.348 0.454 1.00 0.68 C ATOM 2187 O ALA B 47 138.074 -0.161 0.714 1.00 0.71 O ATOM 2188 CB ALA B 47 136.310 2.754 0.289 1.00 0.67 C ATOM 0 H ALA B 47 135.447 2.151 -1.907 1.00 0.57 H new ATOM 0 HA ALA B 47 137.924 1.763 -0.822 1.00 0.61 H new ATOM 0 HB1 ALA B 47 136.942 2.999 1.142 1.00 0.67 H new ATOM 0 HB2 ALA B 47 136.247 3.616 -0.375 1.00 0.67 H new ATOM 0 HB3 ALA B 47 135.312 2.492 0.640 1.00 0.67 H new ATOM 2194 N THR B 48 135.893 -0.122 0.959 1.00 0.77 N ATOM 2195 CA THR B 48 135.936 -1.304 1.871 1.00 0.92 C ATOM 2196 C THR B 48 136.649 -2.478 1.201 1.00 0.85 C ATOM 2197 O THR B 48 137.569 -3.052 1.751 1.00 0.91 O ATOM 2198 CB THR B 48 134.476 -1.668 2.144 1.00 1.09 C ATOM 2199 OG1 THR B 48 133.687 -0.490 2.166 1.00 2.02 O ATOM 2200 CG2 THR B 48 134.372 -2.378 3.494 1.00 1.20 C ATOM 0 H THR B 48 134.963 0.258 0.781 1.00 0.77 H new ATOM 0 HA THR B 48 136.480 -1.078 2.788 1.00 0.92 H new ATOM 0 HB THR B 48 134.115 -2.329 1.356 1.00 1.09 H new ATOM 0 HG1 THR B 48 133.247 -0.375 1.298 1.00 2.02 H new ATOM 0 HG21 THR B 48 133.332 -2.638 3.689 1.00 1.20 H new ATOM 0 HG22 THR B 48 134.975 -3.286 3.475 1.00 1.20 H new ATOM 0 HG23 THR B 48 134.735 -1.717 4.281 1.00 1.20 H new ATOM 2208 N GLU B 49 136.227 -2.852 0.024 1.00 0.78 N ATOM 2209 CA GLU B 49 136.882 -4.004 -0.660 1.00 0.81 C ATOM 2210 C GLU B 49 138.354 -3.689 -0.957 1.00 0.70 C ATOM 2211 O GLU B 49 139.173 -4.579 -1.084 1.00 0.72 O ATOM 2212 CB GLU B 49 136.074 -4.221 -1.948 1.00 0.83 C ATOM 2213 CG GLU B 49 136.555 -3.277 -3.054 1.00 1.22 C ATOM 2214 CD GLU B 49 137.294 -4.082 -4.123 1.00 1.67 C ATOM 2215 OE1 GLU B 49 137.810 -5.136 -3.790 1.00 2.27 O ATOM 2216 OE2 GLU B 49 137.329 -3.633 -5.256 1.00 2.27 O ATOM 0 H GLU B 49 135.463 -2.414 -0.491 1.00 0.78 H new ATOM 0 HA GLU B 49 136.888 -4.903 -0.044 1.00 0.81 H new ATOM 0 HB2 GLU B 49 136.175 -5.255 -2.277 1.00 0.83 H new ATOM 0 HB3 GLU B 49 135.015 -4.050 -1.752 1.00 0.83 H new ATOM 0 HG2 GLU B 49 135.706 -2.756 -3.497 1.00 1.22 H new ATOM 0 HG3 GLU B 49 137.214 -2.516 -2.636 1.00 1.22 H new ATOM 2223 N TYR B 50 138.699 -2.434 -1.063 1.00 0.70 N ATOM 2224 CA TYR B 50 140.118 -2.073 -1.347 1.00 0.67 C ATOM 2225 C TYR B 50 140.961 -2.177 -0.073 1.00 0.61 C ATOM 2226 O TYR B 50 142.000 -2.807 -0.054 1.00 0.58 O ATOM 2227 CB TYR B 50 140.067 -0.626 -1.838 1.00 0.88 C ATOM 2228 CG TYR B 50 140.045 -0.611 -3.347 1.00 0.71 C ATOM 2229 CD1 TYR B 50 139.405 -1.641 -4.045 1.00 1.38 C ATOM 2230 CD2 TYR B 50 140.666 0.430 -4.047 1.00 1.56 C ATOM 2231 CE1 TYR B 50 139.385 -1.630 -5.444 1.00 1.82 C ATOM 2232 CE2 TYR B 50 140.646 0.440 -5.447 1.00 1.86 C ATOM 2233 CZ TYR B 50 140.006 -0.590 -6.146 1.00 1.72 C ATOM 2234 OH TYR B 50 139.987 -0.581 -7.525 1.00 2.36 O ATOM 0 H TYR B 50 138.061 -1.644 -0.965 1.00 0.70 H new ATOM 0 HA TYR B 50 140.572 -2.739 -2.081 1.00 0.67 H new ATOM 0 HB2 TYR B 50 139.181 -0.128 -1.445 1.00 0.88 H new ATOM 0 HB3 TYR B 50 140.932 -0.074 -1.470 1.00 0.88 H new ATOM 0 HD1 TYR B 50 138.927 -2.444 -3.504 1.00 1.38 H new ATOM 0 HD2 TYR B 50 141.160 1.225 -3.508 1.00 1.56 H new ATOM 0 HE1 TYR B 50 138.890 -2.424 -5.983 1.00 1.82 H new ATOM 0 HE2 TYR B 50 141.125 1.243 -5.988 1.00 1.86 H new ATOM 0 HH TYR B 50 140.462 0.211 -7.854 1.00 2.36 H new ATOM 2244 N ILE B 51 140.523 -1.561 0.990 1.00 0.70 N ATOM 2245 CA ILE B 51 141.301 -1.620 2.261 1.00 0.76 C ATOM 2246 C ILE B 51 141.612 -3.075 2.630 1.00 0.70 C ATOM 2247 O ILE B 51 142.755 -3.448 2.806 1.00 0.76 O ATOM 2248 CB ILE B 51 140.390 -0.979 3.308 1.00 0.98 C ATOM 2249 CG1 ILE B 51 140.229 0.511 2.994 1.00 1.05 C ATOM 2250 CG2 ILE B 51 141.012 -1.143 4.696 1.00 1.33 C ATOM 2251 CD1 ILE B 51 138.871 0.998 3.503 1.00 0.74 C ATOM 0 H ILE B 51 139.660 -1.019 1.034 1.00 0.70 H new ATOM 0 HA ILE B 51 142.259 -1.106 2.184 1.00 0.76 H new ATOM 0 HB ILE B 51 139.414 -1.465 3.289 1.00 0.98 H new ATOM 0 HG12 ILE B 51 141.031 1.081 3.464 1.00 1.05 H new ATOM 0 HG13 ILE B 51 140.307 0.677 1.920 1.00 1.05 H new ATOM 0 HG21 ILE B 51 140.362 -0.686 5.442 1.00 1.33 H new ATOM 0 HG22 ILE B 51 141.130 -2.203 4.919 1.00 1.33 H new ATOM 0 HG23 ILE B 51 141.987 -0.657 4.717 1.00 1.33 H new ATOM 0 HD11 ILE B 51 138.758 2.059 3.279 1.00 0.74 H new ATOM 0 HD12 ILE B 51 138.076 0.436 3.013 1.00 0.74 H new ATOM 0 HD13 ILE B 51 138.811 0.846 4.581 1.00 0.74 H new ATOM 2263 N GLN B 52 140.607 -3.899 2.749 1.00 0.69 N ATOM 2264 CA GLN B 52 140.854 -5.326 3.107 1.00 0.73 C ATOM 2265 C GLN B 52 141.822 -5.966 2.107 1.00 0.67 C ATOM 2266 O GLN B 52 142.926 -6.338 2.449 1.00 0.74 O ATOM 2267 CB GLN B 52 139.482 -5.997 3.031 1.00 0.83 C ATOM 2268 CG GLN B 52 139.104 -6.544 4.409 1.00 1.34 C ATOM 2269 CD GLN B 52 138.823 -5.380 5.361 1.00 1.77 C ATOM 2270 OE1 GLN B 52 139.610 -5.097 6.242 1.00 2.49 O ATOM 2271 NE2 GLN B 52 137.725 -4.688 5.221 1.00 1.98 N ATOM 0 H GLN B 52 139.628 -3.647 2.614 1.00 0.69 H new ATOM 0 HA GLN B 52 141.305 -5.431 4.094 1.00 0.73 H new ATOM 0 HB2 GLN B 52 138.733 -5.280 2.695 1.00 0.83 H new ATOM 0 HB3 GLN B 52 139.501 -6.805 2.300 1.00 0.83 H new ATOM 0 HG2 GLN B 52 138.225 -7.183 4.330 1.00 1.34 H new ATOM 0 HG3 GLN B 52 139.912 -7.161 4.801 1.00 1.34 H new ATOM 0 HE21 GLN B 52 137.064 -4.925 4.481 1.00 1.98 H new ATOM 0 HE22 GLN B 52 137.528 -3.910 5.851 1.00 1.98 H new ATOM 2280 N TYR B 53 141.416 -6.099 0.874 1.00 0.62 N ATOM 2281 CA TYR B 53 142.312 -6.717 -0.146 1.00 0.65 C ATOM 2282 C TYR B 53 143.720 -6.108 -0.056 1.00 0.62 C ATOM 2283 O TYR B 53 144.686 -6.789 0.226 1.00 0.75 O ATOM 2284 CB TYR B 53 141.639 -6.397 -1.493 1.00 0.69 C ATOM 2285 CG TYR B 53 142.676 -6.136 -2.565 1.00 0.75 C ATOM 2286 CD1 TYR B 53 143.666 -7.089 -2.831 1.00 1.43 C ATOM 2287 CD2 TYR B 53 142.646 -4.937 -3.287 1.00 1.42 C ATOM 2288 CE1 TYR B 53 144.625 -6.843 -3.821 1.00 1.48 C ATOM 2289 CE2 TYR B 53 143.605 -4.691 -4.277 1.00 1.48 C ATOM 2290 CZ TYR B 53 144.595 -5.644 -4.544 1.00 0.93 C ATOM 2291 OH TYR B 53 145.541 -5.402 -5.519 1.00 1.04 O ATOM 0 H TYR B 53 140.502 -5.806 0.528 1.00 0.62 H new ATOM 0 HA TYR B 53 142.440 -7.790 -0.006 1.00 0.65 H new ATOM 0 HB2 TYR B 53 141.002 -7.229 -1.793 1.00 0.69 H new ATOM 0 HB3 TYR B 53 140.995 -5.525 -1.384 1.00 0.69 H new ATOM 0 HD1 TYR B 53 143.690 -8.013 -2.273 1.00 1.43 H new ATOM 0 HD2 TYR B 53 141.883 -4.201 -3.080 1.00 1.42 H new ATOM 0 HE1 TYR B 53 145.388 -7.578 -4.027 1.00 1.48 H new ATOM 0 HE2 TYR B 53 143.581 -3.766 -4.834 1.00 1.48 H new ATOM 0 HH TYR B 53 145.376 -4.525 -5.925 1.00 1.04 H new ATOM 2301 N MET B 54 143.840 -4.834 -0.308 1.00 0.54 N ATOM 2302 CA MET B 54 145.179 -4.177 -0.255 1.00 0.57 C ATOM 2303 C MET B 54 145.951 -4.594 1.002 1.00 0.52 C ATOM 2304 O MET B 54 146.908 -5.339 0.932 1.00 0.51 O ATOM 2305 CB MET B 54 144.879 -2.678 -0.229 1.00 0.70 C ATOM 2306 CG MET B 54 144.312 -2.251 -1.584 1.00 0.94 C ATOM 2307 SD MET B 54 144.108 -0.453 -1.615 1.00 0.96 S ATOM 2308 CE MET B 54 143.986 -0.273 -3.411 1.00 0.77 C ATOM 0 H MET B 54 143.065 -4.216 -0.550 1.00 0.54 H new ATOM 0 HA MET B 54 145.803 -4.461 -1.103 1.00 0.57 H new ATOM 0 HB2 MET B 54 144.166 -2.452 0.564 1.00 0.70 H new ATOM 0 HB3 MET B 54 145.788 -2.118 -0.009 1.00 0.70 H new ATOM 0 HG2 MET B 54 144.981 -2.565 -2.385 1.00 0.94 H new ATOM 0 HG3 MET B 54 143.353 -2.739 -1.759 1.00 0.94 H new ATOM 0 HE1 MET B 54 143.527 0.686 -3.650 1.00 0.77 H new ATOM 0 HE2 MET B 54 144.983 -0.318 -3.850 1.00 0.77 H new ATOM 0 HE3 MET B 54 143.374 -1.079 -3.817 1.00 0.77 H new ATOM 2318 N ARG B 55 145.554 -4.106 2.147 1.00 0.57 N ATOM 2319 CA ARG B 55 146.274 -4.460 3.408 1.00 0.58 C ATOM 2320 C ARG B 55 146.689 -5.935 3.406 1.00 0.56 C ATOM 2321 O ARG B 55 147.823 -6.269 3.688 1.00 0.58 O ATOM 2322 CB ARG B 55 145.270 -4.189 4.528 1.00 0.69 C ATOM 2323 CG ARG B 55 146.018 -3.727 5.780 1.00 0.77 C ATOM 2324 CD ARG B 55 145.162 -2.714 6.542 1.00 1.42 C ATOM 2325 NE ARG B 55 144.540 -3.493 7.648 1.00 1.43 N ATOM 2326 CZ ARG B 55 143.923 -2.872 8.616 1.00 1.84 C ATOM 2327 NH1 ARG B 55 142.847 -2.178 8.364 1.00 2.53 N ATOM 2328 NH2 ARG B 55 144.381 -2.947 9.835 1.00 2.35 N ATOM 0 H ARG B 55 144.761 -3.476 2.265 1.00 0.57 H new ATOM 0 HA ARG B 55 147.190 -3.881 3.526 1.00 0.58 H new ATOM 0 HB2 ARG B 55 144.556 -3.427 4.215 1.00 0.69 H new ATOM 0 HB3 ARG B 55 144.698 -5.091 4.745 1.00 0.69 H new ATOM 0 HG2 ARG B 55 146.243 -4.582 6.418 1.00 0.77 H new ATOM 0 HG3 ARG B 55 146.971 -3.277 5.502 1.00 0.77 H new ATOM 0 HD2 ARG B 55 145.769 -1.895 6.928 1.00 1.42 H new ATOM 0 HD3 ARG B 55 144.404 -2.272 5.896 1.00 1.42 H new ATOM 0 HE ARG B 55 144.596 -4.511 7.649 1.00 1.43 H new ATOM 0 HH11 ARG B 55 142.488 -2.121 7.411 1.00 2.53 H new ATOM 0 HH12 ARG B 55 142.364 -1.693 9.120 1.00 2.53 H new ATOM 0 HH21 ARG B 55 145.221 -3.491 10.032 1.00 2.35 H new ATOM 0 HH22 ARG B 55 143.899 -2.462 10.592 1.00 2.35 H new ATOM 2342 N ARG B 56 145.783 -6.820 3.098 1.00 0.57 N ATOM 2343 CA ARG B 56 146.133 -8.270 3.086 1.00 0.59 C ATOM 2344 C ARG B 56 147.389 -8.512 2.242 1.00 0.53 C ATOM 2345 O ARG B 56 148.455 -8.779 2.760 1.00 0.58 O ATOM 2346 CB ARG B 56 144.923 -8.964 2.462 1.00 0.67 C ATOM 2347 CG ARG B 56 144.126 -9.679 3.555 1.00 1.04 C ATOM 2348 CD ARG B 56 144.024 -11.169 3.222 1.00 1.63 C ATOM 2349 NE ARG B 56 142.827 -11.286 2.344 1.00 2.02 N ATOM 2350 CZ ARG B 56 141.641 -11.423 2.872 1.00 2.50 C ATOM 2351 NH1 ARG B 56 141.303 -12.551 3.433 1.00 3.10 N ATOM 2352 NH2 ARG B 56 140.793 -10.432 2.838 1.00 2.99 N ATOM 0 H ARG B 56 144.816 -6.604 2.854 1.00 0.57 H new ATOM 0 HA ARG B 56 146.350 -8.648 4.085 1.00 0.59 H new ATOM 0 HB2 ARG B 56 144.292 -8.233 1.956 1.00 0.67 H new ATOM 0 HB3 ARG B 56 145.250 -9.680 1.708 1.00 0.67 H new ATOM 0 HG2 ARG B 56 144.612 -9.544 4.521 1.00 1.04 H new ATOM 0 HG3 ARG B 56 143.130 -9.245 3.636 1.00 1.04 H new ATOM 0 HD2 ARG B 56 144.922 -11.523 2.715 1.00 1.63 H new ATOM 0 HD3 ARG B 56 143.911 -11.769 4.125 1.00 1.63 H new ATOM 0 HE ARG B 56 142.934 -11.259 1.330 1.00 2.02 H new ATOM 0 HH11 ARG B 56 141.965 -13.326 3.459 1.00 3.10 H new ATOM 0 HH12 ARG B 56 140.376 -12.658 3.846 1.00 3.10 H new ATOM 0 HH21 ARG B 56 141.057 -9.550 2.399 1.00 2.99 H new ATOM 0 HH22 ARG B 56 139.866 -10.539 3.251 1.00 2.99 H new ATOM 2366 N LYS B 57 147.270 -8.425 0.945 1.00 0.51 N ATOM 2367 CA LYS B 57 148.455 -8.655 0.069 1.00 0.53 C ATOM 2368 C LYS B 57 149.639 -7.800 0.530 1.00 0.50 C ATOM 2369 O LYS B 57 150.755 -8.271 0.622 1.00 0.54 O ATOM 2370 CB LYS B 57 148.002 -8.232 -1.328 1.00 0.60 C ATOM 2371 CG LYS B 57 147.728 -9.477 -2.174 1.00 0.93 C ATOM 2372 CD LYS B 57 146.218 -9.689 -2.296 1.00 0.84 C ATOM 2373 CE LYS B 57 145.939 -10.808 -3.302 1.00 1.28 C ATOM 2374 NZ LYS B 57 144.961 -11.701 -2.622 1.00 1.52 N ATOM 0 H LYS B 57 146.404 -8.205 0.454 1.00 0.51 H new ATOM 0 HA LYS B 57 148.788 -9.692 0.096 1.00 0.53 H new ATOM 0 HB2 LYS B 57 147.103 -7.620 -1.261 1.00 0.60 H new ATOM 0 HB3 LYS B 57 148.770 -7.620 -1.801 1.00 0.60 H new ATOM 0 HG2 LYS B 57 148.171 -9.362 -3.163 1.00 0.93 H new ATOM 0 HG3 LYS B 57 148.193 -10.350 -1.716 1.00 0.93 H new ATOM 0 HD2 LYS B 57 145.796 -9.946 -1.324 1.00 0.84 H new ATOM 0 HD3 LYS B 57 145.735 -8.767 -2.619 1.00 0.84 H new ATOM 0 HE2 LYS B 57 145.531 -10.411 -4.231 1.00 1.28 H new ATOM 0 HE3 LYS B 57 146.852 -11.345 -3.559 1.00 1.28 H new ATOM 0 HZ1 LYS B 57 144.720 -12.494 -3.250 1.00 1.52 H new ATOM 0 HZ2 LYS B 57 145.379 -12.069 -1.744 1.00 1.52 H new ATOM 0 HZ3 LYS B 57 144.099 -11.164 -2.396 1.00 1.52 H new ATOM 2388 N VAL B 58 149.406 -6.547 0.815 1.00 0.52 N ATOM 2389 CA VAL B 58 150.520 -5.660 1.265 1.00 0.60 C ATOM 2390 C VAL B 58 151.444 -6.405 2.233 1.00 0.61 C ATOM 2391 O VAL B 58 152.624 -6.561 1.985 1.00 0.74 O ATOM 2392 CB VAL B 58 149.833 -4.492 1.974 1.00 0.71 C ATOM 2393 CG1 VAL B 58 150.863 -3.718 2.800 1.00 0.86 C ATOM 2394 CG2 VAL B 58 149.211 -3.559 0.933 1.00 0.76 C ATOM 0 H VAL B 58 148.492 -6.098 0.756 1.00 0.52 H new ATOM 0 HA VAL B 58 151.140 -5.328 0.432 1.00 0.60 H new ATOM 0 HB VAL B 58 149.053 -4.875 2.632 1.00 0.71 H new ATOM 0 HG11 VAL B 58 150.373 -2.886 3.305 1.00 0.86 H new ATOM 0 HG12 VAL B 58 151.308 -4.382 3.542 1.00 0.86 H new ATOM 0 HG13 VAL B 58 151.643 -3.335 2.142 1.00 0.86 H new ATOM 0 HG21 VAL B 58 148.721 -2.726 1.437 1.00 0.76 H new ATOM 0 HG22 VAL B 58 149.991 -3.176 0.275 1.00 0.76 H new ATOM 0 HG23 VAL B 58 148.477 -4.109 0.344 1.00 0.76 H new ATOM 2404 N HIS B 59 150.919 -6.860 3.337 1.00 0.57 N ATOM 2405 CA HIS B 59 151.768 -7.588 4.324 1.00 0.67 C ATOM 2406 C HIS B 59 152.394 -8.832 3.684 1.00 0.63 C ATOM 2407 O HIS B 59 153.599 -8.967 3.616 1.00 0.71 O ATOM 2408 CB HIS B 59 150.811 -7.987 5.447 1.00 0.75 C ATOM 2409 CG HIS B 59 151.544 -7.969 6.759 1.00 0.96 C ATOM 2410 ND1 HIS B 59 152.237 -6.854 7.202 1.00 1.53 N ATOM 2411 CD2 HIS B 59 151.701 -8.922 7.735 1.00 1.68 C ATOM 2412 CE1 HIS B 59 152.775 -7.160 8.397 1.00 1.83 C ATOM 2413 NE2 HIS B 59 152.479 -8.409 8.769 1.00 1.96 N ATOM 0 H HIS B 59 149.938 -6.760 3.599 1.00 0.57 H new ATOM 0 HA HIS B 59 152.593 -6.975 4.685 1.00 0.67 H new ATOM 0 HB2 HIS B 59 149.966 -7.299 5.481 1.00 0.75 H new ATOM 0 HB3 HIS B 59 150.406 -8.981 5.258 1.00 0.75 H new ATOM 0 HD2 HIS B 59 151.284 -9.918 7.705 1.00 1.68 H new ATOM 0 HE1 HIS B 59 153.373 -6.479 8.984 1.00 1.83 H new ATOM 0 HE2 HIS B 59 152.762 -8.884 9.626 1.00 1.96 H new ATOM 2421 N THR B 60 151.585 -9.744 3.220 1.00 0.59 N ATOM 2422 CA THR B 60 152.134 -10.981 2.592 1.00 0.64 C ATOM 2423 C THR B 60 153.140 -10.625 1.492 1.00 0.59 C ATOM 2424 O THR B 60 154.248 -11.124 1.464 1.00 0.67 O ATOM 2425 CB THR B 60 150.919 -11.693 1.995 1.00 0.69 C ATOM 2426 OG1 THR B 60 150.014 -12.034 3.036 1.00 0.74 O ATOM 2427 CG2 THR B 60 151.370 -12.963 1.273 1.00 0.84 C ATOM 0 H THR B 60 150.567 -9.687 3.248 1.00 0.59 H new ATOM 0 HA THR B 60 152.664 -11.605 3.312 1.00 0.64 H new ATOM 0 HB THR B 60 150.424 -11.031 1.284 1.00 0.69 H new ATOM 0 HG1 THR B 60 149.234 -12.489 2.655 1.00 0.74 H new ATOM 0 HG21 THR B 60 150.502 -13.468 0.849 1.00 0.84 H new ATOM 0 HG22 THR B 60 152.064 -12.701 0.474 1.00 0.84 H new ATOM 0 HG23 THR B 60 151.866 -13.627 1.981 1.00 0.84 H new ATOM 2435 N LEU B 61 152.760 -9.771 0.583 1.00 0.52 N ATOM 2436 CA LEU B 61 153.688 -9.387 -0.521 1.00 0.55 C ATOM 2437 C LEU B 61 155.059 -8.993 0.037 1.00 0.52 C ATOM 2438 O LEU B 61 156.051 -9.652 -0.207 1.00 0.51 O ATOM 2439 CB LEU B 61 153.024 -8.186 -1.195 1.00 0.60 C ATOM 2440 CG LEU B 61 152.118 -8.674 -2.327 1.00 0.73 C ATOM 2441 CD1 LEU B 61 151.414 -7.478 -2.970 1.00 1.05 C ATOM 2442 CD2 LEU B 61 152.964 -9.394 -3.379 1.00 1.06 C ATOM 0 H LEU B 61 151.845 -9.321 0.556 1.00 0.52 H new ATOM 0 HA LEU B 61 153.857 -10.210 -1.216 1.00 0.55 H new ATOM 0 HB2 LEU B 61 152.442 -7.622 -0.466 1.00 0.60 H new ATOM 0 HB3 LEU B 61 153.783 -7.510 -1.588 1.00 0.60 H new ATOM 0 HG LEU B 61 151.372 -9.360 -1.926 1.00 0.73 H new ATOM 0 HD11 LEU B 61 150.769 -7.826 -3.776 1.00 1.05 H new ATOM 0 HD12 LEU B 61 150.813 -6.964 -2.220 1.00 1.05 H new ATOM 0 HD13 LEU B 61 152.158 -6.791 -3.372 1.00 1.05 H new ATOM 0 HD21 LEU B 61 152.321 -9.743 -4.187 1.00 1.06 H new ATOM 0 HD22 LEU B 61 153.709 -8.707 -3.780 1.00 1.06 H new ATOM 0 HD23 LEU B 61 153.466 -10.246 -2.921 1.00 1.06 H new ATOM 2454 N GLN B 62 155.123 -7.918 0.774 1.00 0.53 N ATOM 2455 CA GLN B 62 156.431 -7.472 1.340 1.00 0.56 C ATOM 2456 C GLN B 62 157.238 -8.672 1.844 1.00 0.56 C ATOM 2457 O GLN B 62 158.355 -8.899 1.423 1.00 0.56 O ATOM 2458 CB GLN B 62 156.064 -6.549 2.502 1.00 0.62 C ATOM 2459 CG GLN B 62 157.329 -5.872 3.036 1.00 0.69 C ATOM 2460 CD GLN B 62 157.212 -4.357 2.860 1.00 1.06 C ATOM 2461 OE1 GLN B 62 156.622 -3.889 1.907 1.00 1.52 O ATOM 2462 NE2 GLN B 62 157.752 -3.565 3.746 1.00 1.26 N ATOM 0 H GLN B 62 154.326 -7.327 1.010 1.00 0.53 H new ATOM 0 HA GLN B 62 157.049 -6.970 0.595 1.00 0.56 H new ATOM 0 HB2 GLN B 62 155.348 -5.797 2.171 1.00 0.62 H new ATOM 0 HB3 GLN B 62 155.582 -7.120 3.295 1.00 0.62 H new ATOM 0 HG2 GLN B 62 157.468 -6.116 4.089 1.00 0.69 H new ATOM 0 HG3 GLN B 62 158.205 -6.244 2.504 1.00 0.69 H new ATOM 0 HE21 GLN B 62 158.248 -3.958 4.546 1.00 1.26 H new ATOM 0 HE22 GLN B 62 157.678 -2.553 3.638 1.00 1.26 H new ATOM 2471 N GLN B 63 156.685 -9.437 2.745 1.00 0.57 N ATOM 2472 CA GLN B 63 157.425 -10.618 3.277 1.00 0.61 C ATOM 2473 C GLN B 63 158.144 -11.353 2.142 1.00 0.57 C ATOM 2474 O GLN B 63 159.258 -11.813 2.295 1.00 0.58 O ATOM 2475 CB GLN B 63 156.353 -11.510 3.903 1.00 0.65 C ATOM 2476 CG GLN B 63 156.664 -11.716 5.386 1.00 0.79 C ATOM 2477 CD GLN B 63 156.096 -10.548 6.194 1.00 1.08 C ATOM 2478 OE1 GLN B 63 155.116 -10.699 6.896 1.00 1.50 O ATOM 2479 NE2 GLN B 63 156.674 -9.380 6.123 1.00 1.50 N ATOM 0 H GLN B 63 155.754 -9.296 3.136 1.00 0.57 H new ATOM 0 HA GLN B 63 158.189 -10.333 4.000 1.00 0.61 H new ATOM 0 HB2 GLN B 63 155.371 -11.053 3.787 1.00 0.65 H new ATOM 0 HB3 GLN B 63 156.320 -12.471 3.390 1.00 0.65 H new ATOM 0 HG2 GLN B 63 156.232 -12.655 5.732 1.00 0.79 H new ATOM 0 HG3 GLN B 63 157.741 -11.786 5.536 1.00 0.79 H new ATOM 0 HE21 GLN B 63 157.497 -9.253 5.534 1.00 1.50 H new ATOM 0 HE22 GLN B 63 156.303 -8.594 6.657 1.00 1.50 H new ATOM 2488 N ASP B 64 157.517 -11.466 1.003 1.00 0.55 N ATOM 2489 CA ASP B 64 158.171 -12.169 -0.138 1.00 0.54 C ATOM 2490 C ASP B 64 159.292 -11.301 -0.717 1.00 0.52 C ATOM 2491 O ASP B 64 160.266 -11.797 -1.253 1.00 0.52 O ATOM 2492 CB ASP B 64 157.060 -12.368 -1.170 1.00 0.53 C ATOM 2493 CG ASP B 64 157.127 -13.791 -1.726 1.00 0.67 C ATOM 2494 OD1 ASP B 64 158.199 -14.190 -2.151 1.00 1.39 O ATOM 2495 OD2 ASP B 64 156.106 -14.458 -1.716 1.00 1.22 O ATOM 0 H ASP B 64 156.583 -11.103 0.813 1.00 0.55 H new ATOM 0 HA ASP B 64 158.622 -13.115 0.162 1.00 0.54 H new ATOM 0 HB2 ASP B 64 156.087 -12.191 -0.711 1.00 0.53 H new ATOM 0 HB3 ASP B 64 157.167 -11.645 -1.979 1.00 0.53 H new ATOM 2500 N ILE B 65 159.166 -10.007 -0.603 1.00 0.52 N ATOM 2501 CA ILE B 65 160.227 -9.105 -1.142 1.00 0.53 C ATOM 2502 C ILE B 65 161.452 -9.153 -0.226 1.00 0.54 C ATOM 2503 O ILE B 65 162.577 -9.031 -0.668 1.00 0.57 O ATOM 2504 CB ILE B 65 159.628 -7.689 -1.158 1.00 0.56 C ATOM 2505 CG1 ILE B 65 158.130 -7.733 -1.485 1.00 0.55 C ATOM 2506 CG2 ILE B 65 160.337 -6.856 -2.228 1.00 0.60 C ATOM 2507 CD1 ILE B 65 157.631 -6.311 -1.762 1.00 0.64 C ATOM 0 H ILE B 65 158.377 -9.535 -0.161 1.00 0.52 H new ATOM 0 HA ILE B 65 160.542 -9.406 -2.141 1.00 0.53 H new ATOM 0 HB ILE B 65 159.763 -7.246 -0.171 1.00 0.56 H new ATOM 0 HG12 ILE B 65 157.954 -8.368 -2.353 1.00 0.55 H new ATOM 0 HG13 ILE B 65 157.577 -8.169 -0.653 1.00 0.55 H new ATOM 0 HG21 ILE B 65 159.916 -5.851 -2.244 1.00 0.60 H new ATOM 0 HG22 ILE B 65 161.401 -6.801 -2.000 1.00 0.60 H new ATOM 0 HG23 ILE B 65 160.199 -7.323 -3.203 1.00 0.60 H new ATOM 0 HD11 ILE B 65 156.567 -6.338 -1.995 1.00 0.64 H new ATOM 0 HD12 ILE B 65 157.794 -5.690 -0.881 1.00 0.64 H new ATOM 0 HD13 ILE B 65 158.177 -5.892 -2.607 1.00 0.64 H new ATOM 2519 N ASP B 66 161.240 -9.334 1.050 1.00 0.57 N ATOM 2520 CA ASP B 66 162.389 -9.395 1.998 1.00 0.59 C ATOM 2521 C ASP B 66 163.187 -10.682 1.772 1.00 0.58 C ATOM 2522 O ASP B 66 164.381 -10.652 1.548 1.00 0.58 O ATOM 2523 CB ASP B 66 161.755 -9.396 3.389 1.00 0.68 C ATOM 2524 CG ASP B 66 162.492 -8.402 4.288 1.00 0.89 C ATOM 2525 OD1 ASP B 66 162.199 -7.221 4.197 1.00 1.77 O ATOM 2526 OD2 ASP B 66 163.338 -8.838 5.052 1.00 1.32 O ATOM 0 H ASP B 66 160.320 -9.442 1.477 1.00 0.57 H new ATOM 0 HA ASP B 66 163.080 -8.562 1.866 1.00 0.59 H new ATOM 0 HB2 ASP B 66 160.701 -9.127 3.320 1.00 0.68 H new ATOM 0 HB3 ASP B 66 161.801 -10.396 3.820 1.00 0.68 H new ATOM 2531 N ASP B 67 162.536 -11.811 1.829 1.00 0.61 N ATOM 2532 CA ASP B 67 163.257 -13.099 1.616 1.00 0.63 C ATOM 2533 C ASP B 67 164.046 -13.051 0.307 1.00 0.58 C ATOM 2534 O ASP B 67 165.121 -13.607 0.198 1.00 0.66 O ATOM 2535 CB ASP B 67 162.158 -14.160 1.543 1.00 0.71 C ATOM 2536 CG ASP B 67 161.529 -14.339 2.926 1.00 1.20 C ATOM 2537 OD1 ASP B 67 162.268 -14.332 3.896 1.00 1.88 O ATOM 2538 OD2 ASP B 67 160.319 -14.479 2.991 1.00 1.65 O ATOM 0 H ASP B 67 161.537 -11.898 2.014 1.00 0.61 H new ATOM 0 HA ASP B 67 163.973 -13.309 2.410 1.00 0.63 H new ATOM 0 HB2 ASP B 67 161.397 -13.862 0.822 1.00 0.71 H new ATOM 0 HB3 ASP B 67 162.573 -15.106 1.196 1.00 0.71 H new ATOM 2543 N LEU B 68 163.521 -12.392 -0.689 1.00 0.53 N ATOM 2544 CA LEU B 68 164.245 -12.311 -1.990 1.00 0.53 C ATOM 2545 C LEU B 68 165.519 -11.468 -1.857 1.00 0.55 C ATOM 2546 O LEU B 68 166.622 -11.973 -1.941 1.00 0.58 O ATOM 2547 CB LEU B 68 163.267 -11.632 -2.946 1.00 0.52 C ATOM 2548 CG LEU B 68 162.616 -12.671 -3.865 1.00 0.70 C ATOM 2549 CD1 LEU B 68 163.700 -13.458 -4.609 1.00 0.57 C ATOM 2550 CD2 LEU B 68 161.764 -13.635 -3.035 1.00 1.07 C ATOM 0 H LEU B 68 162.624 -11.907 -0.659 1.00 0.53 H new ATOM 0 HA LEU B 68 164.554 -13.296 -2.339 1.00 0.53 H new ATOM 0 HB2 LEU B 68 162.499 -11.106 -2.379 1.00 0.52 H new ATOM 0 HB3 LEU B 68 163.790 -10.885 -3.543 1.00 0.52 H new ATOM 0 HG LEU B 68 161.982 -12.158 -4.588 1.00 0.70 H new ATOM 0 HD11 LEU B 68 163.232 -14.195 -5.261 1.00 0.57 H new ATOM 0 HD12 LEU B 68 164.300 -12.773 -5.208 1.00 0.57 H new ATOM 0 HD13 LEU B 68 164.340 -13.966 -3.888 1.00 0.57 H new ATOM 0 HD21 LEU B 68 161.303 -14.372 -3.693 1.00 1.07 H new ATOM 0 HD22 LEU B 68 162.395 -14.144 -2.306 1.00 1.07 H new ATOM 0 HD23 LEU B 68 160.986 -13.077 -2.514 1.00 1.07 H new ATOM 2562 N LYS B 69 165.370 -10.184 -1.660 1.00 0.57 N ATOM 2563 CA LYS B 69 166.567 -9.298 -1.526 1.00 0.61 C ATOM 2564 C LYS B 69 167.646 -9.986 -0.687 1.00 0.64 C ATOM 2565 O LYS B 69 168.828 -9.780 -0.883 1.00 0.71 O ATOM 2566 CB LYS B 69 166.046 -8.042 -0.828 1.00 0.67 C ATOM 2567 CG LYS B 69 166.586 -6.800 -1.541 1.00 1.43 C ATOM 2568 CD LYS B 69 165.656 -5.613 -1.276 1.00 1.64 C ATOM 2569 CE LYS B 69 164.827 -5.322 -2.531 1.00 2.17 C ATOM 2570 NZ LYS B 69 163.542 -6.058 -2.340 1.00 2.25 N ATOM 0 H LYS B 69 164.470 -9.709 -1.586 1.00 0.57 H new ATOM 0 HA LYS B 69 167.025 -9.066 -2.488 1.00 0.61 H new ATOM 0 HB2 LYS B 69 164.956 -8.034 -0.836 1.00 0.67 H new ATOM 0 HB3 LYS B 69 166.357 -8.038 0.217 1.00 0.67 H new ATOM 0 HG2 LYS B 69 167.592 -6.573 -1.187 1.00 1.43 H new ATOM 0 HG3 LYS B 69 166.659 -6.986 -2.613 1.00 1.43 H new ATOM 0 HD2 LYS B 69 164.998 -5.834 -0.436 1.00 1.64 H new ATOM 0 HD3 LYS B 69 166.240 -4.734 -1.001 1.00 1.64 H new ATOM 0 HE2 LYS B 69 164.653 -4.252 -2.647 1.00 2.17 H new ATOM 0 HE3 LYS B 69 165.343 -5.660 -3.429 1.00 2.17 H new ATOM 0 HZ1 LYS B 69 162.876 -5.795 -3.094 1.00 2.25 H new ATOM 0 HZ2 LYS B 69 163.720 -7.082 -2.376 1.00 2.25 H new ATOM 0 HZ3 LYS B 69 163.134 -5.810 -1.416 1.00 2.25 H new ATOM 2584 N ARG B 70 167.249 -10.813 0.239 1.00 0.64 N ATOM 2585 CA ARG B 70 168.252 -11.521 1.083 1.00 0.70 C ATOM 2586 C ARG B 70 169.005 -12.559 0.246 1.00 0.67 C ATOM 2587 O ARG B 70 170.217 -12.637 0.280 1.00 0.71 O ATOM 2588 CB ARG B 70 167.432 -12.208 2.176 1.00 0.78 C ATOM 2589 CG ARG B 70 168.300 -12.396 3.422 1.00 1.17 C ATOM 2590 CD ARG B 70 167.809 -11.464 4.531 1.00 1.29 C ATOM 2591 NE ARG B 70 168.049 -12.214 5.795 1.00 1.57 N ATOM 2592 CZ ARG B 70 168.290 -11.566 6.902 1.00 2.02 C ATOM 2593 NH1 ARG B 70 169.454 -11.008 7.089 1.00 2.75 N ATOM 2594 NH2 ARG B 70 167.368 -11.478 7.821 1.00 2.36 N ATOM 0 H ARG B 70 166.274 -11.029 0.448 1.00 0.64 H new ATOM 0 HA ARG B 70 168.998 -10.843 1.497 1.00 0.70 H new ATOM 0 HB2 ARG B 70 166.554 -11.609 2.418 1.00 0.78 H new ATOM 0 HB3 ARG B 70 167.071 -13.174 1.822 1.00 0.78 H new ATOM 0 HG2 ARG B 70 168.255 -13.432 3.757 1.00 1.17 H new ATOM 0 HG3 ARG B 70 169.343 -12.182 3.188 1.00 1.17 H new ATOM 0 HD2 ARG B 70 168.353 -10.519 4.523 1.00 1.29 H new ATOM 0 HD3 ARG B 70 166.753 -11.225 4.408 1.00 1.29 H new ATOM 0 HE ARG B 70 168.025 -13.234 5.796 1.00 1.57 H new ATOM 0 HH11 ARG B 70 170.175 -11.078 6.371 1.00 2.75 H new ATOM 0 HH12 ARG B 70 169.644 -10.501 7.954 1.00 2.75 H new ATOM 0 HH21 ARG B 70 166.458 -11.916 7.674 1.00 2.36 H new ATOM 0 HH22 ARG B 70 167.557 -10.971 8.686 1.00 2.36 H new ATOM 2608 N GLN B 71 168.295 -13.358 -0.502 1.00 0.65 N ATOM 2609 CA GLN B 71 168.965 -14.396 -1.338 1.00 0.68 C ATOM 2610 C GLN B 71 169.919 -13.747 -2.345 1.00 0.58 C ATOM 2611 O GLN B 71 171.122 -13.779 -2.175 1.00 0.58 O ATOM 2612 CB GLN B 71 167.827 -15.117 -2.059 1.00 0.73 C ATOM 2613 CG GLN B 71 167.002 -15.908 -1.042 1.00 1.13 C ATOM 2614 CD GLN B 71 167.936 -16.739 -0.161 1.00 1.30 C ATOM 2615 OE1 GLN B 71 168.738 -17.504 -0.659 1.00 2.00 O ATOM 2616 NE2 GLN B 71 167.868 -16.620 1.137 1.00 1.72 N ATOM 0 H GLN B 71 167.278 -13.337 -0.571 1.00 0.65 H new ATOM 0 HA GLN B 71 169.567 -15.079 -0.738 1.00 0.68 H new ATOM 0 HB2 GLN B 71 167.194 -14.395 -2.575 1.00 0.73 H new ATOM 0 HB3 GLN B 71 168.230 -15.788 -2.818 1.00 0.73 H new ATOM 0 HG2 GLN B 71 166.415 -15.227 -0.426 1.00 1.13 H new ATOM 0 HG3 GLN B 71 166.297 -16.559 -1.558 1.00 1.13 H new ATOM 0 HE21 GLN B 71 167.195 -15.978 1.556 1.00 1.72 H new ATOM 0 HE22 GLN B 71 168.488 -17.169 1.733 1.00 1.72 H new ATOM 2625 N ASN B 72 169.396 -13.168 -3.397 1.00 0.54 N ATOM 2626 CA ASN B 72 170.278 -12.526 -4.419 1.00 0.50 C ATOM 2627 C ASN B 72 171.455 -11.809 -3.746 1.00 0.46 C ATOM 2628 O ASN B 72 172.514 -11.665 -4.325 1.00 0.46 O ATOM 2629 CB ASN B 72 169.380 -11.527 -5.157 1.00 0.52 C ATOM 2630 CG ASN B 72 169.214 -10.259 -4.322 1.00 0.50 C ATOM 2631 OD1 ASN B 72 169.076 -10.327 -3.121 1.00 0.70 O ATOM 2632 ND2 ASN B 72 169.224 -9.098 -4.912 1.00 0.67 N ATOM 0 H ASN B 72 168.396 -13.112 -3.592 1.00 0.54 H new ATOM 0 HA ASN B 72 170.712 -13.259 -5.100 1.00 0.50 H new ATOM 0 HB2 ASN B 72 169.815 -11.280 -6.125 1.00 0.52 H new ATOM 0 HB3 ASN B 72 168.405 -11.975 -5.350 1.00 0.52 H new ATOM 0 HD21 ASN B 72 169.116 -8.246 -4.362 1.00 0.67 H new ATOM 0 HD22 ASN B 72 169.340 -9.041 -5.924 1.00 0.67 H new ATOM 2639 N ALA B 73 171.290 -11.371 -2.524 1.00 0.50 N ATOM 2640 CA ALA B 73 172.416 -10.686 -1.832 1.00 0.54 C ATOM 2641 C ALA B 73 173.465 -11.723 -1.434 1.00 0.54 C ATOM 2642 O ALA B 73 174.648 -11.562 -1.677 1.00 0.57 O ATOM 2643 CB ALA B 73 171.792 -10.046 -0.591 1.00 0.64 C ATOM 0 H ALA B 73 170.431 -11.458 -1.981 1.00 0.50 H new ATOM 0 HA ALA B 73 172.909 -9.943 -2.458 1.00 0.54 H new ATOM 0 HB1 ALA B 73 172.562 -9.520 -0.026 1.00 0.64 H new ATOM 0 HB2 ALA B 73 171.019 -9.340 -0.895 1.00 0.64 H new ATOM 0 HB3 ALA B 73 171.349 -10.821 0.034 1.00 0.64 H new ATOM 2649 N LEU B 74 173.032 -12.797 -0.835 1.00 0.54 N ATOM 2650 CA LEU B 74 173.986 -13.861 -0.426 1.00 0.57 C ATOM 2651 C LEU B 74 174.456 -14.623 -1.666 1.00 0.52 C ATOM 2652 O LEU B 74 175.601 -15.025 -1.768 1.00 0.54 O ATOM 2653 CB LEU B 74 173.188 -14.781 0.503 1.00 0.60 C ATOM 2654 CG LEU B 74 172.421 -13.948 1.536 1.00 0.76 C ATOM 2655 CD1 LEU B 74 171.040 -14.565 1.761 1.00 1.30 C ATOM 2656 CD2 LEU B 74 173.195 -13.936 2.855 1.00 0.94 C ATOM 0 H LEU B 74 172.054 -12.983 -0.611 1.00 0.54 H new ATOM 0 HA LEU B 74 174.872 -13.464 0.070 1.00 0.57 H new ATOM 0 HB2 LEU B 74 172.491 -15.384 -0.080 1.00 0.60 H new ATOM 0 HB3 LEU B 74 173.861 -15.473 1.009 1.00 0.60 H new ATOM 0 HG LEU B 74 172.309 -12.927 1.171 1.00 0.76 H new ATOM 0 HD11 LEU B 74 170.493 -13.974 2.495 1.00 1.30 H new ATOM 0 HD12 LEU B 74 170.489 -14.576 0.821 1.00 1.30 H new ATOM 0 HD13 LEU B 74 171.153 -15.585 2.127 1.00 1.30 H new ATOM 0 HD21 LEU B 74 172.651 -13.344 3.591 1.00 0.94 H new ATOM 0 HD22 LEU B 74 173.306 -14.957 3.221 1.00 0.94 H new ATOM 0 HD23 LEU B 74 174.181 -13.499 2.695 1.00 0.94 H new ATOM 2668 N LEU B 75 173.581 -14.810 -2.619 1.00 0.48 N ATOM 2669 CA LEU B 75 173.977 -15.529 -3.858 1.00 0.46 C ATOM 2670 C LEU B 75 175.150 -14.800 -4.514 1.00 0.45 C ATOM 2671 O LEU B 75 176.184 -15.377 -4.785 1.00 0.49 O ATOM 2672 CB LEU B 75 172.748 -15.462 -4.763 1.00 0.46 C ATOM 2673 CG LEU B 75 171.762 -16.579 -4.410 1.00 0.50 C ATOM 2674 CD1 LEU B 75 170.431 -15.964 -3.983 1.00 0.52 C ATOM 2675 CD2 LEU B 75 171.524 -17.458 -5.639 1.00 0.50 C ATOM 0 H LEU B 75 172.611 -14.495 -2.590 1.00 0.48 H new ATOM 0 HA LEU B 75 174.288 -16.556 -3.666 1.00 0.46 H new ATOM 0 HB2 LEU B 75 172.262 -14.492 -4.655 1.00 0.46 H new ATOM 0 HB3 LEU B 75 173.051 -15.553 -5.806 1.00 0.46 H new ATOM 0 HG LEU B 75 172.174 -17.179 -3.599 1.00 0.50 H new ATOM 0 HD11 LEU B 75 169.728 -16.758 -3.731 1.00 0.52 H new ATOM 0 HD12 LEU B 75 170.587 -15.328 -3.112 1.00 0.52 H new ATOM 0 HD13 LEU B 75 170.027 -15.367 -4.801 1.00 0.52 H new ATOM 0 HD21 LEU B 75 170.822 -18.253 -5.387 1.00 0.50 H new ATOM 0 HD22 LEU B 75 171.112 -16.852 -6.446 1.00 0.50 H new ATOM 0 HD23 LEU B 75 172.468 -17.896 -5.961 1.00 0.50 H new ATOM 2687 N GLU B 76 174.991 -13.529 -4.766 1.00 0.50 N ATOM 2688 CA GLU B 76 176.088 -12.746 -5.401 1.00 0.54 C ATOM 2689 C GLU B 76 177.384 -12.925 -4.609 1.00 0.57 C ATOM 2690 O GLU B 76 178.436 -13.161 -5.169 1.00 0.59 O ATOM 2691 CB GLU B 76 175.620 -11.292 -5.342 1.00 0.64 C ATOM 2692 CG GLU B 76 175.064 -10.878 -6.706 1.00 0.68 C ATOM 2693 CD GLU B 76 175.229 -9.369 -6.890 1.00 0.73 C ATOM 2694 OE1 GLU B 76 174.418 -8.634 -6.352 1.00 1.35 O ATOM 2695 OE2 GLU B 76 176.165 -8.973 -7.565 1.00 1.30 O ATOM 0 H GLU B 76 174.145 -12.998 -4.558 1.00 0.50 H new ATOM 0 HA GLU B 76 176.291 -13.067 -6.423 1.00 0.54 H new ATOM 0 HB2 GLU B 76 174.854 -11.176 -4.575 1.00 0.64 H new ATOM 0 HB3 GLU B 76 176.450 -10.643 -5.064 1.00 0.64 H new ATOM 0 HG2 GLU B 76 175.587 -11.411 -7.500 1.00 0.68 H new ATOM 0 HG3 GLU B 76 174.011 -11.151 -6.779 1.00 0.68 H new ATOM 2702 N GLN B 77 177.319 -12.817 -3.310 1.00 0.65 N ATOM 2703 CA GLN B 77 178.554 -12.988 -2.492 1.00 0.74 C ATOM 2704 C GLN B 77 179.230 -14.318 -2.836 1.00 0.69 C ATOM 2705 O GLN B 77 180.406 -14.511 -2.593 1.00 0.74 O ATOM 2706 CB GLN B 77 178.077 -12.984 -1.040 1.00 0.86 C ATOM 2707 CG GLN B 77 178.924 -12.002 -0.229 1.00 1.31 C ATOM 2708 CD GLN B 77 178.140 -10.706 -0.013 1.00 1.40 C ATOM 2709 OE1 GLN B 77 177.289 -10.634 0.851 1.00 2.10 O ATOM 2710 NE2 GLN B 77 178.391 -9.672 -0.769 1.00 1.83 N ATOM 0 H GLN B 77 176.469 -12.619 -2.782 1.00 0.65 H new ATOM 0 HA GLN B 77 179.286 -12.201 -2.677 1.00 0.74 H new ATOM 0 HB2 GLN B 77 177.026 -12.700 -0.992 1.00 0.86 H new ATOM 0 HB3 GLN B 77 178.157 -13.985 -0.617 1.00 0.86 H new ATOM 0 HG2 GLN B 77 179.190 -12.443 0.732 1.00 1.31 H new ATOM 0 HG3 GLN B 77 179.857 -11.792 -0.752 1.00 1.31 H new ATOM 0 HE21 GLN B 77 179.105 -9.732 -1.494 1.00 1.83 H new ATOM 0 HE22 GLN B 77 177.873 -8.804 -0.634 1.00 1.83 H new ATOM 2719 N GLN B 78 178.504 -15.229 -3.427 1.00 0.61 N ATOM 2720 CA GLN B 78 179.111 -16.536 -3.807 1.00 0.61 C ATOM 2721 C GLN B 78 179.302 -16.549 -5.316 1.00 0.53 C ATOM 2722 O GLN B 78 180.330 -16.942 -5.834 1.00 0.56 O ATOM 2723 CB GLN B 78 178.093 -17.595 -3.380 1.00 0.65 C ATOM 2724 CG GLN B 78 178.628 -18.987 -3.724 1.00 0.73 C ATOM 2725 CD GLN B 78 178.550 -19.886 -2.488 1.00 1.14 C ATOM 2726 OE1 GLN B 78 177.763 -20.810 -2.444 1.00 1.98 O ATOM 2727 NE2 GLN B 78 179.339 -19.652 -1.475 1.00 1.54 N ATOM 0 H GLN B 78 177.517 -15.124 -3.663 1.00 0.61 H new ATOM 0 HA GLN B 78 180.079 -16.716 -3.339 1.00 0.61 H new ATOM 0 HB2 GLN B 78 177.903 -17.521 -2.309 1.00 0.65 H new ATOM 0 HB3 GLN B 78 177.142 -17.425 -3.885 1.00 0.65 H new ATOM 0 HG2 GLN B 78 178.047 -19.420 -4.538 1.00 0.73 H new ATOM 0 HG3 GLN B 78 179.659 -18.916 -4.070 1.00 0.73 H new ATOM 0 HE21 GLN B 78 180.000 -18.876 -1.512 1.00 1.54 H new ATOM 0 HE22 GLN B 78 179.295 -20.245 -0.646 1.00 1.54 H new ATOM 2736 N VAL B 79 178.310 -16.085 -6.016 1.00 0.46 N ATOM 2737 CA VAL B 79 178.389 -16.017 -7.494 1.00 0.48 C ATOM 2738 C VAL B 79 179.656 -15.254 -7.909 1.00 0.50 C ATOM 2739 O VAL B 79 180.306 -15.591 -8.878 1.00 0.59 O ATOM 2740 CB VAL B 79 177.104 -15.267 -7.881 1.00 0.56 C ATOM 2741 CG1 VAL B 79 177.379 -14.243 -8.979 1.00 0.77 C ATOM 2742 CG2 VAL B 79 176.067 -16.273 -8.383 1.00 0.50 C ATOM 0 H VAL B 79 177.434 -15.745 -5.618 1.00 0.46 H new ATOM 0 HA VAL B 79 178.456 -16.987 -7.986 1.00 0.48 H new ATOM 0 HB VAL B 79 176.730 -14.742 -7.002 1.00 0.56 H new ATOM 0 HG11 VAL B 79 176.454 -13.726 -9.235 1.00 0.77 H new ATOM 0 HG12 VAL B 79 178.113 -13.519 -8.626 1.00 0.77 H new ATOM 0 HG13 VAL B 79 177.766 -14.751 -9.862 1.00 0.77 H new ATOM 0 HG21 VAL B 79 175.153 -15.747 -8.659 1.00 0.50 H new ATOM 0 HG22 VAL B 79 176.461 -16.798 -9.254 1.00 0.50 H new ATOM 0 HG23 VAL B 79 175.847 -16.993 -7.595 1.00 0.50 H new