USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 56 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.561 K(o=0.25,f=-3) USER MOD Set 1.3: A 99 TYR OH : rot 150:sc= 0.81 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0.462 USER MOD Set 2.2: A 60 SER OG : rot 102:sc= 0.498 USER MOD Set 3.1: A 32 ASN : amide:sc= 0.764 K(o=1.4,f=-0.18) USER MOD Set 3.2: A 36 SER OG : rot 180:sc= 0.682 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -46:sc= 0.392 USER MOD Single : A 31 GLN : amide:sc= 0.961 K(o=0.96,f=-0.63) USER MOD Single : A 38 SER OG : rot 180:sc= -0.277 USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= -1.46 (180deg=-2.93!) USER MOD Single : A 46 TYR OH : rot 110:sc= -0.689 USER MOD Single : A 49 LYS NZ :NH3+ 163:sc= -1.7! (180deg=-2.38!) USER MOD Single : A 50 SER OG : rot -130:sc= -0.291 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= 0.416 (180deg=-0.4) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.252 K(o=0.25,f=-1.6!) USER MOD Single : A 80 ASN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.251 -0.832 -3.844 1.00 33.53 N ATOM 282 CA LEU A 19 -13.088 -1.057 -2.966 1.00 52.11 C ATOM 283 C LEU A 19 -13.097 -0.045 -1.807 1.00 53.53 C ATOM 284 O LEU A 19 -13.339 1.142 -2.017 1.00 34.51 O ATOM 285 CB LEU A 19 -11.783 -0.914 -3.768 1.00 30.33 C ATOM 286 CG LEU A 19 -11.660 -1.819 -5.007 1.00 32.14 C ATOM 287 CD1 LEU A 19 -10.354 -1.541 -5.754 1.00 15.13 C ATOM 288 CD2 LEU A 19 -11.759 -3.294 -4.617 1.00 2.10 C ATOM 0 HA LEU A 19 -13.148 -2.067 -2.560 1.00 52.11 H new ATOM 0 HB2 LEU A 19 -11.686 0.124 -4.087 1.00 30.33 H new ATOM 0 HB3 LEU A 19 -10.945 -1.123 -3.103 1.00 30.33 H new ATOM 0 HG LEU A 19 -12.490 -1.591 -5.676 1.00 32.14 H new ATOM 0 HD11 LEU A 19 -10.288 -2.192 -6.626 1.00 15.13 H new ATOM 0 HD12 LEU A 19 -10.333 -0.500 -6.076 1.00 15.13 H new ATOM 0 HD13 LEU A 19 -9.509 -1.733 -5.093 1.00 15.13 H new ATOM 0 HD21 LEU A 19 -11.669 -3.913 -5.510 1.00 2.10 H new ATOM 0 HD22 LEU A 19 -10.957 -3.541 -3.922 1.00 2.10 H new ATOM 0 HD23 LEU A 19 -12.722 -3.481 -4.141 1.00 2.10 H new ATOM 300 N LYS A 20 -12.835 -0.508 -0.584 1.00 73.13 N ATOM 301 CA LYS A 20 -12.883 0.376 0.593 1.00 71.35 C ATOM 302 C LYS A 20 -11.649 0.205 1.493 1.00 53.24 C ATOM 303 O LYS A 20 -11.190 -0.911 1.729 1.00 73.31 O ATOM 304 CB LYS A 20 -14.168 0.122 1.398 1.00 4.21 C ATOM 305 CG LYS A 20 -15.446 0.273 0.574 1.00 31.14 C ATOM 306 CD LYS A 20 -16.700 0.341 1.443 1.00 34.14 C ATOM 307 CE LYS A 20 -16.883 -0.898 2.312 1.00 23.12 C ATOM 308 NZ LYS A 20 -18.117 -0.800 3.135 1.00 44.14 N ATOM 0 H LYS A 20 -12.590 -1.477 -0.378 1.00 73.13 H new ATOM 0 HA LYS A 20 -12.883 1.404 0.230 1.00 71.35 H new ATOM 0 HB2 LYS A 20 -14.132 -0.884 1.816 1.00 4.21 H new ATOM 0 HB3 LYS A 20 -14.203 0.815 2.238 1.00 4.21 H new ATOM 0 HG2 LYS A 20 -15.379 1.177 -0.032 1.00 31.14 H new ATOM 0 HG3 LYS A 20 -15.531 -0.567 -0.115 1.00 31.14 H new ATOM 0 HD2 LYS A 20 -16.647 1.223 2.082 1.00 34.14 H new ATOM 0 HD3 LYS A 20 -17.574 0.463 0.803 1.00 34.14 H new ATOM 0 HE2 LYS A 20 -16.934 -1.784 1.680 1.00 23.12 H new ATOM 0 HE3 LYS A 20 -16.017 -1.020 2.963 1.00 23.12 H new ATOM 0 HZ1 LYS A 20 -18.216 -1.657 3.716 1.00 44.14 H new ATOM 0 HZ2 LYS A 20 -18.056 0.033 3.754 1.00 44.14 H new ATOM 0 HZ3 LYS A 20 -18.944 -0.708 2.511 1.00 44.14 H new ATOM 322 N PHE A 21 -11.123 1.321 1.996 1.00 11.31 N ATOM 323 CA PHE A 21 -9.930 1.310 2.859 1.00 70.33 C ATOM 324 C PHE A 21 -10.224 0.706 4.244 1.00 43.01 C ATOM 325 O PHE A 21 -11.280 0.949 4.827 1.00 64.21 O ATOM 326 CB PHE A 21 -9.392 2.744 3.009 1.00 14.45 C ATOM 327 CG PHE A 21 -8.169 2.856 3.890 1.00 31.13 C ATOM 328 CD1 PHE A 21 -6.924 2.447 3.431 1.00 64.44 C ATOM 329 CD2 PHE A 21 -8.265 3.368 5.179 1.00 70.24 C ATOM 330 CE1 PHE A 21 -5.806 2.546 4.235 1.00 22.44 C ATOM 331 CE2 PHE A 21 -7.147 3.467 5.984 1.00 12.22 C ATOM 332 CZ PHE A 21 -5.918 3.055 5.512 1.00 63.13 C ATOM 0 H PHE A 21 -11.503 2.252 1.823 1.00 11.31 H new ATOM 0 HA PHE A 21 -9.178 0.679 2.385 1.00 70.33 H new ATOM 0 HB2 PHE A 21 -9.151 3.135 2.021 1.00 14.45 H new ATOM 0 HB3 PHE A 21 -10.181 3.375 3.419 1.00 14.45 H new ATOM 0 HD1 PHE A 21 -6.829 2.046 2.433 1.00 64.44 H new ATOM 0 HD2 PHE A 21 -9.224 3.692 5.555 1.00 70.24 H new ATOM 0 HE1 PHE A 21 -4.844 2.225 3.864 1.00 22.44 H new ATOM 0 HE2 PHE A 21 -7.235 3.867 6.983 1.00 12.22 H new ATOM 0 HZ PHE A 21 -5.044 3.131 6.142 1.00 63.13 H new ATOM 342 N SER A 22 -9.288 -0.088 4.771 1.00 73.34 N ATOM 343 CA SER A 22 -9.442 -0.678 6.111 1.00 75.13 C ATOM 344 C SER A 22 -8.241 -0.367 7.019 1.00 31.41 C ATOM 345 O SER A 22 -8.391 0.287 8.051 1.00 3.14 O ATOM 346 CB SER A 22 -9.637 -2.198 6.015 1.00 42.15 C ATOM 347 OG SER A 22 -8.498 -2.834 5.463 1.00 74.13 O ATOM 0 H SER A 22 -8.420 -0.338 4.297 1.00 73.34 H new ATOM 0 HA SER A 22 -10.328 -0.226 6.557 1.00 75.13 H new ATOM 0 HB2 SER A 22 -9.836 -2.604 7.007 1.00 42.15 H new ATOM 0 HB3 SER A 22 -10.510 -2.416 5.400 1.00 42.15 H new ATOM 0 HG SER A 22 -8.198 -2.339 4.673 1.00 74.13 H new ATOM 353 N ALA A 23 -7.052 -0.839 6.637 1.00 32.24 N ATOM 354 CA ALA A 23 -5.850 -0.672 7.470 1.00 54.24 C ATOM 355 C ALA A 23 -4.559 -0.586 6.632 1.00 43.01 C ATOM 356 O ALA A 23 -4.601 -0.513 5.405 1.00 63.32 O ATOM 357 CB ALA A 23 -5.755 -1.821 8.474 1.00 73.32 C ATOM 0 H ALA A 23 -6.892 -1.338 5.762 1.00 32.24 H new ATOM 0 HA ALA A 23 -5.947 0.275 8.000 1.00 54.24 H new ATOM 0 HB1 ALA A 23 -4.864 -1.694 9.089 1.00 73.32 H new ATOM 0 HB2 ALA A 23 -6.639 -1.821 9.112 1.00 73.32 H new ATOM 0 HB3 ALA A 23 -5.694 -2.768 7.938 1.00 73.32 H new ATOM 363 N LEU A 24 -3.414 -0.567 7.314 1.00 44.53 N ATOM 364 CA LEU A 24 -2.099 -0.546 6.659 1.00 1.53 C ATOM 365 C LEU A 24 -1.423 -1.928 6.747 1.00 42.12 C ATOM 366 O LEU A 24 -1.222 -2.462 7.842 1.00 52.04 O ATOM 367 CB LEU A 24 -1.203 0.515 7.320 1.00 3.13 C ATOM 368 CG LEU A 24 0.224 0.628 6.753 1.00 61.41 C ATOM 369 CD1 LEU A 24 0.203 1.131 5.314 1.00 61.21 C ATOM 370 CD2 LEU A 24 1.086 1.531 7.633 1.00 74.14 C ATOM 0 H LEU A 24 -3.368 -0.566 8.333 1.00 44.53 H new ATOM 0 HA LEU A 24 -2.241 -0.297 5.608 1.00 1.53 H new ATOM 0 HB2 LEU A 24 -1.690 1.486 7.226 1.00 3.13 H new ATOM 0 HB3 LEU A 24 -1.135 0.295 8.385 1.00 3.13 H new ATOM 0 HG LEU A 24 0.666 -0.368 6.752 1.00 61.41 H new ATOM 0 HD11 LEU A 24 1.224 1.201 4.938 1.00 61.21 H new ATOM 0 HD12 LEU A 24 -0.365 0.437 4.694 1.00 61.21 H new ATOM 0 HD13 LEU A 24 -0.265 2.115 5.279 1.00 61.21 H new ATOM 0 HD21 LEU A 24 2.090 1.597 7.214 1.00 74.14 H new ATOM 0 HD22 LEU A 24 0.645 2.527 7.675 1.00 74.14 H new ATOM 0 HD23 LEU A 24 1.139 1.115 8.639 1.00 74.14 H new ATOM 382 N ARG A 25 -1.058 -2.493 5.597 1.00 21.43 N ATOM 383 CA ARG A 25 -0.433 -3.823 5.544 1.00 1.11 C ATOM 384 C ARG A 25 1.021 -3.799 6.043 1.00 22.15 C ATOM 385 O ARG A 25 1.344 -4.410 7.063 1.00 32.35 O ATOM 386 CB ARG A 25 -0.488 -4.366 4.106 1.00 73.50 C ATOM 387 CG ARG A 25 0.336 -5.637 3.867 1.00 71.23 C ATOM 388 CD ARG A 25 -0.144 -6.810 4.713 1.00 4.10 C ATOM 389 NE ARG A 25 0.577 -8.046 4.398 1.00 41.31 N ATOM 390 CZ ARG A 25 0.290 -9.214 4.909 1.00 70.41 C ATOM 391 NH1 ARG A 25 -0.720 -9.344 5.710 1.00 65.54 N ATOM 392 NH2 ARG A 25 0.992 -10.257 4.592 1.00 12.45 N ATOM 0 H ARG A 25 -1.183 -2.053 4.685 1.00 21.43 H new ATOM 0 HA ARG A 25 -0.994 -4.479 6.209 1.00 1.11 H new ATOM 0 HB2 ARG A 25 -1.527 -4.570 3.849 1.00 73.50 H new ATOM 0 HB3 ARG A 25 -0.138 -3.590 3.426 1.00 73.50 H new ATOM 0 HG2 ARG A 25 0.283 -5.908 2.812 1.00 71.23 H new ATOM 0 HG3 ARG A 25 1.383 -5.435 4.092 1.00 71.23 H new ATOM 0 HD2 ARG A 25 -0.013 -6.573 5.769 1.00 4.10 H new ATOM 0 HD3 ARG A 25 -1.211 -6.961 4.550 1.00 4.10 H new ATOM 0 HE ARG A 25 1.352 -7.991 3.738 1.00 41.31 H new ATOM 0 HH11 ARG A 25 -1.294 -8.533 5.943 1.00 65.54 H new ATOM 0 HH12 ARG A 25 -0.942 -10.257 6.107 1.00 65.54 H new ATOM 0 HH21 ARG A 25 1.772 -10.168 3.941 1.00 12.45 H new ATOM 0 HH22 ARG A 25 0.764 -11.166 4.994 1.00 12.45 H new ATOM 406 N ARG A 26 1.888 -3.091 5.322 1.00 61.25 N ATOM 407 CA ARG A 26 3.327 -3.090 5.628 1.00 63.24 C ATOM 408 C ARG A 26 4.084 -2.022 4.822 1.00 12.32 C ATOM 409 O ARG A 26 3.766 -1.757 3.663 1.00 72.12 O ATOM 410 CB ARG A 26 3.926 -4.482 5.335 1.00 23.24 C ATOM 411 CG ARG A 26 5.452 -4.525 5.354 1.00 44.12 C ATOM 412 CD ARG A 26 5.993 -5.945 5.204 1.00 51.02 C ATOM 413 NE ARG A 26 7.447 -5.957 5.031 1.00 53.21 N ATOM 414 CZ ARG A 26 8.311 -5.876 6.008 1.00 64.15 C ATOM 415 NH1 ARG A 26 7.921 -5.838 7.242 1.00 65.54 N ATOM 416 NH2 ARG A 26 9.573 -5.850 5.749 1.00 31.41 N ATOM 0 H ARG A 26 1.626 -2.512 4.524 1.00 61.25 H new ATOM 0 HA ARG A 26 3.439 -2.852 6.686 1.00 63.24 H new ATOM 0 HB2 ARG A 26 3.545 -5.191 6.070 1.00 23.24 H new ATOM 0 HB3 ARG A 26 3.577 -4.817 4.358 1.00 23.24 H new ATOM 0 HG2 ARG A 26 5.841 -3.903 4.548 1.00 44.12 H new ATOM 0 HG3 ARG A 26 5.814 -4.097 6.289 1.00 44.12 H new ATOM 0 HD2 ARG A 26 5.727 -6.530 6.084 1.00 51.02 H new ATOM 0 HD3 ARG A 26 5.521 -6.425 4.347 1.00 51.02 H new ATOM 0 HE ARG A 26 7.811 -6.034 4.081 1.00 53.21 H new ATOM 0 HH11 ARG A 26 6.926 -5.871 7.464 1.00 65.54 H new ATOM 0 HH12 ARG A 26 8.609 -5.775 7.993 1.00 65.54 H new ATOM 0 HH21 ARG A 26 9.896 -5.893 4.783 1.00 31.41 H new ATOM 0 HH22 ARG A 26 10.249 -5.787 6.510 1.00 31.41 H new ATOM 430 N GLU A 27 5.085 -1.409 5.453 1.00 60.02 N ATOM 431 CA GLU A 27 5.985 -0.471 4.769 1.00 74.53 C ATOM 432 C GLU A 27 7.363 -1.119 4.536 1.00 52.00 C ATOM 433 O GLU A 27 8.125 -1.326 5.482 1.00 24.03 O ATOM 434 CB GLU A 27 6.158 0.812 5.597 1.00 54.45 C ATOM 435 CG GLU A 27 4.859 1.558 5.890 1.00 20.31 C ATOM 436 CD GLU A 27 5.086 2.845 6.672 1.00 72.31 C ATOM 437 OE1 GLU A 27 5.655 3.797 6.099 1.00 15.33 O ATOM 438 OE2 GLU A 27 4.708 2.912 7.862 1.00 40.03 O ATOM 0 H GLU A 27 5.297 -1.544 6.442 1.00 60.02 H new ATOM 0 HA GLU A 27 5.540 -0.218 3.807 1.00 74.53 H new ATOM 0 HB2 GLU A 27 6.637 0.557 6.543 1.00 54.45 H new ATOM 0 HB3 GLU A 27 6.835 1.482 5.068 1.00 54.45 H new ATOM 0 HG2 GLU A 27 4.359 1.792 4.950 1.00 20.31 H new ATOM 0 HG3 GLU A 27 4.190 0.908 6.454 1.00 20.31 H new ATOM 445 N VAL A 28 7.685 -1.441 3.285 1.00 11.31 N ATOM 446 CA VAL A 28 8.980 -2.057 2.959 1.00 42.12 C ATOM 447 C VAL A 28 10.068 -0.986 2.746 1.00 13.52 C ATOM 448 O VAL A 28 10.045 -0.234 1.767 1.00 64.23 O ATOM 449 CB VAL A 28 8.882 -2.992 1.720 1.00 32.21 C ATOM 450 CG1 VAL A 28 8.011 -4.209 2.035 1.00 53.22 C ATOM 451 CG2 VAL A 28 8.340 -2.248 0.500 1.00 11.13 C ATOM 0 H VAL A 28 7.075 -1.289 2.482 1.00 11.31 H new ATOM 0 HA VAL A 28 9.265 -2.671 3.813 1.00 42.12 H new ATOM 0 HB VAL A 28 9.889 -3.334 1.481 1.00 32.21 H new ATOM 0 HG11 VAL A 28 7.953 -4.852 1.157 1.00 53.22 H new ATOM 0 HG12 VAL A 28 8.449 -4.765 2.864 1.00 53.22 H new ATOM 0 HG13 VAL A 28 7.009 -3.878 2.309 1.00 53.22 H new ATOM 0 HG21 VAL A 28 8.285 -2.931 -0.348 1.00 11.13 H new ATOM 0 HG22 VAL A 28 7.345 -1.863 0.721 1.00 11.13 H new ATOM 0 HG23 VAL A 28 9.004 -1.419 0.255 1.00 11.13 H new ATOM 461 N ARG A 29 11.015 -0.910 3.679 1.00 2.55 N ATOM 462 CA ARG A 29 12.034 0.149 3.659 1.00 31.02 C ATOM 463 C ARG A 29 13.375 -0.327 3.078 1.00 35.35 C ATOM 464 O ARG A 29 13.538 -1.489 2.706 1.00 62.31 O ATOM 465 CB ARG A 29 12.257 0.702 5.074 1.00 51.54 C ATOM 466 CG ARG A 29 11.023 1.346 5.698 1.00 54.54 C ATOM 467 CD ARG A 29 11.343 1.984 7.049 1.00 63.12 C ATOM 468 NE ARG A 29 11.843 1.010 8.018 1.00 5.21 N ATOM 469 CZ ARG A 29 12.564 1.318 9.060 1.00 45.25 C ATOM 470 NH1 ARG A 29 12.873 2.549 9.308 1.00 33.04 N ATOM 471 NH2 ARG A 29 12.970 0.391 9.861 1.00 41.45 N ATOM 0 H ARG A 29 11.102 -1.564 4.457 1.00 2.55 H new ATOM 0 HA ARG A 29 11.654 0.934 3.006 1.00 31.02 H new ATOM 0 HB2 ARG A 29 12.595 -0.109 5.719 1.00 51.54 H new ATOM 0 HB3 ARG A 29 13.060 1.439 5.041 1.00 51.54 H new ATOM 0 HG2 ARG A 29 10.626 2.104 5.022 1.00 54.54 H new ATOM 0 HG3 ARG A 29 10.245 0.594 5.826 1.00 54.54 H new ATOM 0 HD2 ARG A 29 12.086 2.770 6.910 1.00 63.12 H new ATOM 0 HD3 ARG A 29 10.446 2.460 7.445 1.00 63.12 H new ATOM 0 HE ARG A 29 11.613 0.027 7.870 1.00 5.21 H new ATOM 0 HH11 ARG A 29 12.552 3.291 8.686 1.00 33.04 H new ATOM 0 HH12 ARG A 29 13.438 2.778 10.126 1.00 33.04 H new ATOM 0 HH21 ARG A 29 12.727 -0.583 9.679 1.00 41.45 H new ATOM 0 HH22 ARG A 29 13.534 0.632 10.676 1.00 41.45 H new ATOM 485 N ILE A 30 14.329 0.599 3.005 1.00 2.03 N ATOM 486 CA ILE A 30 15.679 0.303 2.521 1.00 4.42 C ATOM 487 C ILE A 30 16.546 -0.263 3.651 1.00 13.33 C ATOM 488 O ILE A 30 16.694 0.361 4.700 1.00 71.50 O ATOM 489 CB ILE A 30 16.355 1.578 1.951 1.00 45.23 C ATOM 490 CG1 ILE A 30 15.497 2.179 0.822 1.00 35.31 C ATOM 491 CG2 ILE A 30 17.769 1.266 1.458 1.00 34.24 C ATOM 492 CD1 ILE A 30 16.052 3.466 0.241 1.00 52.24 C ATOM 0 H ILE A 30 14.191 1.572 3.278 1.00 2.03 H new ATOM 0 HA ILE A 30 15.589 -0.439 1.727 1.00 4.42 H new ATOM 0 HB ILE A 30 16.434 2.316 2.750 1.00 45.23 H new ATOM 0 HG12 ILE A 30 15.401 1.444 0.023 1.00 35.31 H new ATOM 0 HG13 ILE A 30 14.494 2.368 1.204 1.00 35.31 H new ATOM 0 HG21 ILE A 30 18.225 2.174 1.062 1.00 34.24 H new ATOM 0 HG22 ILE A 30 18.369 0.890 2.287 1.00 34.24 H new ATOM 0 HG23 ILE A 30 17.722 0.511 0.673 1.00 34.24 H new ATOM 0 HD11 ILE A 30 15.390 3.824 -0.548 1.00 52.24 H new ATOM 0 HD12 ILE A 30 16.122 4.219 1.026 1.00 52.24 H new ATOM 0 HD13 ILE A 30 17.043 3.281 -0.173 1.00 52.24 H new ATOM 504 N GLN A 31 17.117 -1.443 3.441 1.00 44.44 N ATOM 505 CA GLN A 31 17.943 -2.088 4.467 1.00 4.41 C ATOM 506 C GLN A 31 19.442 -1.852 4.221 1.00 52.34 C ATOM 507 O GLN A 31 19.933 -2.004 3.101 1.00 61.21 O ATOM 508 CB GLN A 31 17.654 -3.593 4.503 1.00 44.13 C ATOM 509 CG GLN A 31 18.430 -4.339 5.582 1.00 74.43 C ATOM 510 CD GLN A 31 18.174 -5.834 5.573 1.00 24.45 C ATOM 511 OE1 GLN A 31 17.910 -6.429 4.533 1.00 12.10 O ATOM 512 NE2 GLN A 31 18.239 -6.448 6.734 1.00 31.24 N ATOM 0 H GLN A 31 17.027 -1.975 2.575 1.00 44.44 H new ATOM 0 HA GLN A 31 17.686 -1.642 5.428 1.00 4.41 H new ATOM 0 HB2 GLN A 31 16.587 -3.746 4.664 1.00 44.13 H new ATOM 0 HB3 GLN A 31 17.895 -4.024 3.531 1.00 44.13 H new ATOM 0 HG2 GLN A 31 19.496 -4.158 5.445 1.00 74.43 H new ATOM 0 HG3 GLN A 31 18.161 -3.936 6.559 1.00 74.43 H new ATOM 0 HE21 GLN A 31 18.461 -5.920 7.578 1.00 31.24 H new ATOM 0 HE22 GLN A 31 18.067 -7.452 6.790 1.00 31.24 H new ATOM 521 N ASN A 32 20.161 -1.487 5.278 1.00 3.15 N ATOM 522 CA ASN A 32 21.609 -1.287 5.209 1.00 72.41 C ATOM 523 C ASN A 32 22.333 -2.624 4.996 1.00 0.24 C ATOM 524 O ASN A 32 21.931 -3.651 5.544 1.00 63.25 O ATOM 525 CB ASN A 32 22.106 -0.632 6.502 1.00 22.53 C ATOM 526 CG ASN A 32 21.411 0.683 6.795 1.00 22.12 C ATOM 527 OD1 ASN A 32 21.035 1.415 5.890 1.00 41.43 O ATOM 528 ND2 ASN A 32 21.216 0.982 8.063 1.00 34.53 N ATOM 0 H ASN A 32 19.762 -1.322 6.202 1.00 3.15 H new ATOM 0 HA ASN A 32 21.827 -0.635 4.363 1.00 72.41 H new ATOM 0 HB2 ASN A 32 21.947 -1.316 7.336 1.00 22.53 H new ATOM 0 HB3 ASN A 32 23.180 -0.462 6.429 1.00 22.53 H new ATOM 0 HD21 ASN A 32 20.738 1.847 8.315 1.00 34.53 H new ATOM 0 HD22 ASN A 32 21.543 0.348 8.792 1.00 34.53 H new ATOM 535 N GLU A 33 23.413 -2.601 4.218 1.00 55.30 N ATOM 536 CA GLU A 33 24.191 -3.813 3.927 1.00 32.43 C ATOM 537 C GLU A 33 24.767 -4.441 5.212 1.00 24.42 C ATOM 538 O GLU A 33 25.167 -5.609 5.228 1.00 42.12 O ATOM 539 CB GLU A 33 25.317 -3.481 2.936 1.00 42.44 C ATOM 540 CG GLU A 33 24.816 -2.826 1.650 1.00 64.15 C ATOM 541 CD GLU A 33 25.936 -2.471 0.685 1.00 55.03 C ATOM 542 OE1 GLU A 33 26.642 -1.469 0.930 1.00 75.11 O ATOM 543 OE2 GLU A 33 26.109 -3.185 -0.327 1.00 0.14 O ATOM 0 H GLU A 33 23.774 -1.756 3.775 1.00 55.30 H new ATOM 0 HA GLU A 33 23.522 -4.548 3.479 1.00 32.43 H new ATOM 0 HB2 GLU A 33 26.033 -2.816 3.419 1.00 42.44 H new ATOM 0 HB3 GLU A 33 25.852 -4.397 2.685 1.00 42.44 H new ATOM 0 HG2 GLU A 33 24.118 -3.500 1.154 1.00 64.15 H new ATOM 0 HG3 GLU A 33 24.262 -1.922 1.902 1.00 64.15 H new ATOM 550 N ASP A 34 24.807 -3.653 6.286 1.00 45.30 N ATOM 551 CA ASP A 34 25.222 -4.141 7.606 1.00 53.21 C ATOM 552 C ASP A 34 24.157 -5.076 8.217 1.00 54.35 C ATOM 553 O ASP A 34 24.482 -6.089 8.841 1.00 45.41 O ATOM 554 CB ASP A 34 25.456 -2.954 8.550 1.00 73.34 C ATOM 555 CG ASP A 34 26.344 -1.886 7.939 1.00 63.11 C ATOM 556 OD1 ASP A 34 25.819 -1.039 7.184 1.00 13.23 O ATOM 557 OD2 ASP A 34 27.562 -1.879 8.214 1.00 75.03 O ATOM 0 H ASP A 34 24.555 -2.665 6.269 1.00 45.30 H new ATOM 0 HA ASP A 34 26.146 -4.705 7.480 1.00 53.21 H new ATOM 0 HB2 ASP A 34 24.496 -2.513 8.817 1.00 73.34 H new ATOM 0 HB3 ASP A 34 25.910 -3.313 9.473 1.00 73.34 H new ATOM 562 N GLY A 35 22.883 -4.723 8.035 1.00 63.25 N ATOM 563 CA GLY A 35 21.787 -5.496 8.621 1.00 41.44 C ATOM 564 C GLY A 35 20.615 -4.622 9.069 1.00 73.44 C ATOM 565 O GLY A 35 19.455 -4.937 8.796 1.00 33.53 O ATOM 0 H GLY A 35 22.586 -3.913 7.491 1.00 63.25 H new ATOM 0 HA2 GLY A 35 21.432 -6.224 7.892 1.00 41.44 H new ATOM 0 HA3 GLY A 35 22.162 -6.058 9.476 1.00 41.44 H new ATOM 569 N SER A 36 20.920 -3.528 9.765 1.00 35.53 N ATOM 570 CA SER A 36 19.894 -2.571 10.218 1.00 25.15 C ATOM 571 C SER A 36 19.138 -1.937 9.037 1.00 24.52 C ATOM 572 O SER A 36 19.612 -1.948 7.903 1.00 1.41 O ATOM 573 CB SER A 36 20.533 -1.467 11.072 1.00 3.01 C ATOM 574 OG SER A 36 21.538 -0.768 10.348 1.00 21.43 O ATOM 0 H SER A 36 21.872 -3.276 10.032 1.00 35.53 H new ATOM 0 HA SER A 36 19.175 -3.129 10.818 1.00 25.15 H new ATOM 0 HB2 SER A 36 19.764 -0.767 11.399 1.00 3.01 H new ATOM 0 HB3 SER A 36 20.968 -1.905 11.970 1.00 3.01 H new ATOM 0 HG SER A 36 21.925 -0.070 10.917 1.00 21.43 H new ATOM 580 N VAL A 37 17.960 -1.379 9.307 1.00 75.11 N ATOM 581 CA VAL A 37 17.126 -0.788 8.252 1.00 24.23 C ATOM 582 C VAL A 37 17.109 0.753 8.331 1.00 41.40 C ATOM 583 O VAL A 37 16.995 1.333 9.414 1.00 1.23 O ATOM 584 CB VAL A 37 15.670 -1.319 8.325 1.00 54.12 C ATOM 585 CG1 VAL A 37 14.837 -0.801 7.152 1.00 24.15 C ATOM 586 CG2 VAL A 37 15.652 -2.845 8.375 1.00 73.35 C ATOM 0 H VAL A 37 17.559 -1.322 10.243 1.00 75.11 H new ATOM 0 HA VAL A 37 17.570 -1.084 7.302 1.00 24.23 H new ATOM 0 HB VAL A 37 15.221 -0.944 9.245 1.00 54.12 H new ATOM 0 HG11 VAL A 37 13.821 -1.189 7.228 1.00 24.15 H new ATOM 0 HG12 VAL A 37 14.813 0.288 7.176 1.00 24.15 H new ATOM 0 HG13 VAL A 37 15.283 -1.133 6.214 1.00 24.15 H new ATOM 0 HG21 VAL A 37 14.621 -3.195 8.426 1.00 73.35 H new ATOM 0 HG22 VAL A 37 16.127 -3.244 7.479 1.00 73.35 H new ATOM 0 HG23 VAL A 37 16.195 -3.187 9.256 1.00 73.35 H new ATOM 596 N SER A 38 17.222 1.406 7.173 1.00 44.33 N ATOM 597 CA SER A 38 17.191 2.876 7.088 1.00 73.44 C ATOM 598 C SER A 38 15.757 3.423 7.147 1.00 65.15 C ATOM 599 O SER A 38 14.781 2.675 7.040 1.00 1.33 O ATOM 600 CB SER A 38 17.862 3.354 5.788 1.00 64.32 C ATOM 601 OG SER A 38 17.778 4.767 5.651 1.00 2.24 O ATOM 0 H SER A 38 17.337 0.940 6.273 1.00 44.33 H new ATOM 0 HA SER A 38 17.739 3.257 7.949 1.00 73.44 H new ATOM 0 HB2 SER A 38 18.908 3.048 5.783 1.00 64.32 H new ATOM 0 HB3 SER A 38 17.385 2.875 4.933 1.00 64.32 H new ATOM 0 HG SER A 38 18.214 5.041 4.817 1.00 2.24 H new ATOM 607 N ASP A 39 15.636 4.738 7.308 1.00 60.23 N ATOM 608 CA ASP A 39 14.327 5.397 7.377 1.00 44.40 C ATOM 609 C ASP A 39 13.678 5.527 5.987 1.00 63.42 C ATOM 610 O ASP A 39 12.452 5.581 5.872 1.00 42.30 O ATOM 611 CB ASP A 39 14.461 6.774 8.032 1.00 20.33 C ATOM 612 CG ASP A 39 14.843 6.679 9.498 1.00 25.22 C ATOM 613 OD1 ASP A 39 13.934 6.591 10.348 1.00 60.13 O ATOM 614 OD2 ASP A 39 16.052 6.687 9.810 1.00 71.11 O ATOM 0 H ASP A 39 16.429 5.373 7.394 1.00 60.23 H new ATOM 0 HA ASP A 39 13.675 4.772 7.987 1.00 44.40 H new ATOM 0 HB2 ASP A 39 15.214 7.356 7.500 1.00 20.33 H new ATOM 0 HB3 ASP A 39 13.518 7.312 7.939 1.00 20.33 H new ATOM 619 N GLU A 40 14.496 5.576 4.939 1.00 11.54 N ATOM 620 CA GLU A 40 13.978 5.677 3.568 1.00 14.20 C ATOM 621 C GLU A 40 13.200 4.417 3.168 1.00 21.44 C ATOM 622 O GLU A 40 13.573 3.296 3.520 1.00 50.23 O ATOM 623 CB GLU A 40 15.116 5.937 2.578 1.00 25.20 C ATOM 624 CG GLU A 40 15.749 7.315 2.720 1.00 53.54 C ATOM 625 CD GLU A 40 14.792 8.452 2.380 1.00 11.12 C ATOM 626 OE1 GLU A 40 14.683 8.807 1.188 1.00 22.23 O ATOM 627 OE2 GLU A 40 14.158 9.003 3.304 1.00 44.34 O ATOM 0 H GLU A 40 15.513 5.548 5.006 1.00 11.54 H new ATOM 0 HA GLU A 40 13.288 6.521 3.538 1.00 14.20 H new ATOM 0 HB2 GLU A 40 15.886 5.178 2.715 1.00 25.20 H new ATOM 0 HB3 GLU A 40 14.735 5.825 1.563 1.00 25.20 H new ATOM 0 HG2 GLU A 40 16.104 7.441 3.743 1.00 53.54 H new ATOM 0 HG3 GLU A 40 16.622 7.376 2.070 1.00 53.54 H new ATOM 634 N ILE A 41 12.126 4.610 2.415 1.00 15.14 N ATOM 635 CA ILE A 41 11.194 3.518 2.100 1.00 14.30 C ATOM 636 C ILE A 41 11.173 3.196 0.594 1.00 31.04 C ATOM 637 O ILE A 41 11.313 4.086 -0.243 1.00 43.12 O ATOM 638 CB ILE A 41 9.755 3.881 2.565 1.00 44.01 C ATOM 639 CG1 ILE A 41 9.777 4.422 4.008 1.00 21.10 C ATOM 640 CG2 ILE A 41 8.825 2.669 2.461 1.00 1.54 C ATOM 641 CD1 ILE A 41 8.422 4.868 4.520 1.00 54.25 C ATOM 0 H ILE A 41 11.872 5.510 2.007 1.00 15.14 H new ATOM 0 HA ILE A 41 11.545 2.635 2.634 1.00 14.30 H new ATOM 0 HB ILE A 41 9.371 4.660 1.907 1.00 44.01 H new ATOM 0 HG12 ILE A 41 10.167 3.648 4.669 1.00 21.10 H new ATOM 0 HG13 ILE A 41 10.468 5.263 4.059 1.00 21.10 H new ATOM 0 HG21 ILE A 41 7.825 2.948 2.792 1.00 1.54 H new ATOM 0 HG22 ILE A 41 8.783 2.330 1.426 1.00 1.54 H new ATOM 0 HG23 ILE A 41 9.204 1.864 3.091 1.00 1.54 H new ATOM 0 HD11 ILE A 41 8.522 5.235 5.541 1.00 54.25 H new ATOM 0 HD12 ILE A 41 8.037 5.665 3.884 1.00 54.25 H new ATOM 0 HD13 ILE A 41 7.731 4.025 4.503 1.00 54.25 H new ATOM 653 N LYS A 42 11.004 1.914 0.254 1.00 55.23 N ATOM 654 CA LYS A 42 10.824 1.502 -1.146 1.00 72.44 C ATOM 655 C LYS A 42 9.383 1.772 -1.602 1.00 43.22 C ATOM 656 O LYS A 42 9.145 2.506 -2.567 1.00 13.31 O ATOM 657 CB LYS A 42 11.157 0.009 -1.322 1.00 23.25 C ATOM 658 CG LYS A 42 12.647 -0.333 -1.220 1.00 11.10 C ATOM 659 CD LYS A 42 13.462 0.349 -2.320 1.00 1.01 C ATOM 660 CE LYS A 42 14.782 -0.372 -2.593 1.00 61.45 C ATOM 661 NZ LYS A 42 15.686 -0.399 -1.410 1.00 51.14 N ATOM 0 H LYS A 42 10.988 1.145 0.924 1.00 55.23 H new ATOM 0 HA LYS A 42 11.507 2.087 -1.762 1.00 72.44 H new ATOM 0 HB2 LYS A 42 10.615 -0.561 -0.567 1.00 23.25 H new ATOM 0 HB3 LYS A 42 10.789 -0.319 -2.294 1.00 23.25 H new ATOM 0 HG2 LYS A 42 13.025 -0.026 -0.245 1.00 11.10 H new ATOM 0 HG3 LYS A 42 12.778 -1.413 -1.287 1.00 11.10 H new ATOM 0 HD2 LYS A 42 12.873 0.385 -3.237 1.00 1.01 H new ATOM 0 HD3 LYS A 42 13.666 1.380 -2.032 1.00 1.01 H new ATOM 0 HE2 LYS A 42 14.573 -1.395 -2.907 1.00 61.45 H new ATOM 0 HE3 LYS A 42 15.292 0.118 -3.422 1.00 61.45 H new ATOM 0 HZ1 LYS A 42 16.285 -1.248 -1.450 1.00 51.14 H new ATOM 0 HZ2 LYS A 42 16.288 0.449 -1.413 1.00 51.14 H new ATOM 0 HZ3 LYS A 42 15.118 -0.417 -0.539 1.00 51.14 H new ATOM 675 N GLU A 43 8.421 1.182 -0.892 1.00 4.11 N ATOM 676 CA GLU A 43 6.996 1.404 -1.168 1.00 4.11 C ATOM 677 C GLU A 43 6.120 1.001 0.032 1.00 12.21 C ATOM 678 O GLU A 43 6.588 0.356 0.978 1.00 64.40 O ATOM 679 CB GLU A 43 6.565 0.664 -2.449 1.00 4.22 C ATOM 680 CG GLU A 43 6.839 -0.833 -2.442 1.00 41.10 C ATOM 681 CD GLU A 43 6.531 -1.484 -3.783 1.00 13.52 C ATOM 682 OE1 GLU A 43 5.336 -1.651 -4.111 1.00 62.34 O ATOM 683 OE2 GLU A 43 7.479 -1.818 -4.526 1.00 14.11 O ATOM 0 H GLU A 43 8.601 0.543 -0.117 1.00 4.11 H new ATOM 0 HA GLU A 43 6.850 2.472 -1.331 1.00 4.11 H new ATOM 0 HB2 GLU A 43 5.498 0.823 -2.603 1.00 4.22 H new ATOM 0 HB3 GLU A 43 7.080 1.110 -3.300 1.00 4.22 H new ATOM 0 HG2 GLU A 43 7.885 -1.007 -2.188 1.00 41.10 H new ATOM 0 HG3 GLU A 43 6.239 -1.306 -1.665 1.00 41.10 H new ATOM 690 N ARG A 44 4.848 1.389 -0.005 1.00 33.12 N ATOM 691 CA ARG A 44 3.942 1.221 1.140 1.00 45.04 C ATOM 692 C ARG A 44 2.666 0.453 0.750 1.00 72.35 C ATOM 693 O ARG A 44 1.935 0.858 -0.155 1.00 51.52 O ATOM 694 CB ARG A 44 3.591 2.605 1.708 1.00 34.22 C ATOM 695 CG ARG A 44 2.612 2.583 2.877 1.00 62.41 C ATOM 696 CD ARG A 44 2.406 3.981 3.460 1.00 24.15 C ATOM 697 NE ARG A 44 3.621 4.499 4.093 1.00 34.12 N ATOM 698 CZ ARG A 44 4.148 5.668 3.852 1.00 71.10 C ATOM 699 NH1 ARG A 44 3.635 6.467 2.973 1.00 70.03 N ATOM 700 NH2 ARG A 44 5.204 6.029 4.502 1.00 63.45 N ATOM 0 H ARG A 44 4.414 1.825 -0.819 1.00 33.12 H new ATOM 0 HA ARG A 44 4.448 0.628 1.902 1.00 45.04 H new ATOM 0 HB2 ARG A 44 4.510 3.094 2.030 1.00 34.22 H new ATOM 0 HB3 ARG A 44 3.169 3.214 0.909 1.00 34.22 H new ATOM 0 HG2 ARG A 44 1.655 2.182 2.544 1.00 62.41 H new ATOM 0 HG3 ARG A 44 2.985 1.915 3.653 1.00 62.41 H new ATOM 0 HD2 ARG A 44 2.092 4.661 2.668 1.00 24.15 H new ATOM 0 HD3 ARG A 44 1.600 3.952 4.193 1.00 24.15 H new ATOM 0 HE ARG A 44 4.090 3.901 4.773 1.00 34.12 H new ATOM 0 HH11 ARG A 44 2.803 6.187 2.453 1.00 70.03 H new ATOM 0 HH12 ARG A 44 4.063 7.377 2.800 1.00 70.03 H new ATOM 0 HH21 ARG A 44 5.616 5.403 5.194 1.00 63.45 H new ATOM 0 HH22 ARG A 44 5.626 6.940 4.323 1.00 63.45 H new ATOM 714 N THR A 45 2.404 -0.651 1.454 1.00 12.23 N ATOM 715 CA THR A 45 1.252 -1.522 1.159 1.00 73.31 C ATOM 716 C THR A 45 0.091 -1.304 2.146 1.00 0.04 C ATOM 717 O THR A 45 0.278 -1.350 3.364 1.00 13.43 O ATOM 718 CB THR A 45 1.652 -3.019 1.207 1.00 75.50 C ATOM 719 OG1 THR A 45 2.845 -3.244 0.443 1.00 41.43 O ATOM 720 CG2 THR A 45 0.532 -3.907 0.663 1.00 35.42 C ATOM 0 H THR A 45 2.975 -0.968 2.238 1.00 12.23 H new ATOM 0 HA THR A 45 0.924 -1.254 0.155 1.00 73.31 H new ATOM 0 HB THR A 45 1.832 -3.278 2.250 1.00 75.50 H new ATOM 0 HG1 THR A 45 3.086 -4.193 0.484 1.00 41.43 H new ATOM 0 HG21 THR A 45 0.841 -4.951 0.709 1.00 35.42 H new ATOM 0 HG22 THR A 45 -0.367 -3.768 1.263 1.00 35.42 H new ATOM 0 HG23 THR A 45 0.323 -3.636 -0.372 1.00 35.42 H new ATOM 728 N TYR A 46 -1.111 -1.086 1.612 1.00 21.24 N ATOM 729 CA TYR A 46 -2.322 -0.899 2.428 1.00 74.32 C ATOM 730 C TYR A 46 -3.275 -2.101 2.301 1.00 71.31 C ATOM 731 O TYR A 46 -3.204 -2.867 1.335 1.00 0.02 O ATOM 732 CB TYR A 46 -3.080 0.360 1.983 1.00 45.43 C ATOM 733 CG TYR A 46 -2.279 1.648 2.026 1.00 24.12 C ATOM 734 CD1 TYR A 46 -1.380 1.965 1.011 1.00 1.53 C ATOM 735 CD2 TYR A 46 -2.441 2.562 3.064 1.00 20.25 C ATOM 736 CE1 TYR A 46 -0.669 3.147 1.031 1.00 1.30 C ATOM 737 CE2 TYR A 46 -1.737 3.751 3.084 1.00 4.25 C ATOM 738 CZ TYR A 46 -0.851 4.037 2.066 1.00 34.43 C ATOM 739 OH TYR A 46 -0.152 5.224 2.077 1.00 21.44 O ATOM 0 H TYR A 46 -1.278 -1.033 0.607 1.00 21.24 H new ATOM 0 HA TYR A 46 -1.998 -0.801 3.464 1.00 74.32 H new ATOM 0 HB2 TYR A 46 -3.438 0.208 0.965 1.00 45.43 H new ATOM 0 HB3 TYR A 46 -3.960 0.477 2.616 1.00 45.43 H new ATOM 0 HD1 TYR A 46 -1.237 1.273 0.194 1.00 1.53 H new ATOM 0 HD2 TYR A 46 -3.128 2.338 3.867 1.00 20.25 H new ATOM 0 HE1 TYR A 46 0.028 3.374 0.238 1.00 1.30 H new ATOM 0 HE2 TYR A 46 -1.880 4.453 3.892 1.00 4.25 H new ATOM 0 HH TYR A 46 -0.768 5.968 1.909 1.00 21.44 H new ATOM 749 N ASP A 47 -4.177 -2.241 3.271 1.00 50.41 N ATOM 750 CA ASP A 47 -5.237 -3.258 3.223 1.00 75.44 C ATOM 751 C ASP A 47 -6.556 -2.639 2.718 1.00 72.50 C ATOM 752 O ASP A 47 -7.051 -1.656 3.282 1.00 65.31 O ATOM 753 CB ASP A 47 -5.458 -3.857 4.619 1.00 24.12 C ATOM 754 CG ASP A 47 -4.232 -4.570 5.167 1.00 63.22 C ATOM 755 OD1 ASP A 47 -3.671 -5.431 4.462 1.00 62.50 O ATOM 756 OD2 ASP A 47 -3.842 -4.286 6.320 1.00 32.45 O ATOM 0 H ASP A 47 -4.198 -1.659 4.109 1.00 50.41 H new ATOM 0 HA ASP A 47 -4.926 -4.045 2.536 1.00 75.44 H new ATOM 0 HB2 ASP A 47 -5.745 -3.062 5.307 1.00 24.12 H new ATOM 0 HB3 ASP A 47 -6.291 -4.559 4.578 1.00 24.12 H new ATOM 761 N LEU A 48 -7.122 -3.208 1.651 1.00 60.01 N ATOM 762 CA LEU A 48 -8.394 -2.722 1.096 1.00 62.21 C ATOM 763 C LEU A 48 -9.450 -3.841 1.039 1.00 43.23 C ATOM 764 O LEU A 48 -9.189 -4.939 0.545 1.00 1.10 O ATOM 765 CB LEU A 48 -8.185 -2.136 -0.313 1.00 74.23 C ATOM 766 CG LEU A 48 -7.174 -0.980 -0.421 1.00 31.43 C ATOM 767 CD1 LEU A 48 -7.124 -0.450 -1.850 1.00 72.42 C ATOM 768 CD2 LEU A 48 -7.514 0.144 0.552 1.00 10.10 C ATOM 0 H LEU A 48 -6.723 -4.004 1.153 1.00 60.01 H new ATOM 0 HA LEU A 48 -8.758 -1.939 1.761 1.00 62.21 H new ATOM 0 HB2 LEU A 48 -7.860 -2.939 -0.974 1.00 74.23 H new ATOM 0 HB3 LEU A 48 -9.148 -1.786 -0.686 1.00 74.23 H new ATOM 0 HG LEU A 48 -6.191 -1.368 -0.155 1.00 31.43 H new ATOM 0 HD11 LEU A 48 -6.405 0.367 -1.910 1.00 72.42 H new ATOM 0 HD12 LEU A 48 -6.821 -1.251 -2.525 1.00 72.42 H new ATOM 0 HD13 LEU A 48 -8.110 -0.087 -2.138 1.00 72.42 H new ATOM 0 HD21 LEU A 48 -6.782 0.946 0.452 1.00 10.10 H new ATOM 0 HD22 LEU A 48 -8.508 0.530 0.328 1.00 10.10 H new ATOM 0 HD23 LEU A 48 -7.495 -0.240 1.572 1.00 10.10 H new ATOM 780 N LYS A 49 -10.645 -3.555 1.551 1.00 55.41 N ATOM 781 CA LYS A 49 -11.765 -4.500 1.508 1.00 20.22 C ATOM 782 C LYS A 49 -12.452 -4.464 0.133 1.00 33.41 C ATOM 783 O LYS A 49 -12.818 -3.394 -0.357 1.00 23.24 O ATOM 784 CB LYS A 49 -12.776 -4.164 2.615 1.00 75.43 C ATOM 785 CG LYS A 49 -12.181 -4.190 4.023 1.00 12.24 C ATOM 786 CD LYS A 49 -11.737 -5.598 4.446 1.00 64.32 C ATOM 787 CE LYS A 49 -12.890 -6.443 4.999 1.00 14.33 C ATOM 788 NZ LYS A 49 -14.023 -6.577 4.042 1.00 11.30 N ATOM 0 H LYS A 49 -10.866 -2.669 2.005 1.00 55.41 H new ATOM 0 HA LYS A 49 -11.378 -5.506 1.672 1.00 20.22 H new ATOM 0 HB2 LYS A 49 -13.193 -3.175 2.425 1.00 75.43 H new ATOM 0 HB3 LYS A 49 -13.602 -4.873 2.567 1.00 75.43 H new ATOM 0 HG2 LYS A 49 -11.327 -3.515 4.066 1.00 12.24 H new ATOM 0 HG3 LYS A 49 -12.919 -3.816 4.733 1.00 12.24 H new ATOM 0 HD2 LYS A 49 -11.297 -6.108 3.589 1.00 64.32 H new ATOM 0 HD3 LYS A 49 -10.957 -5.516 5.203 1.00 64.32 H new ATOM 0 HE2 LYS A 49 -12.517 -7.435 5.253 1.00 14.33 H new ATOM 0 HE3 LYS A 49 -13.253 -5.993 5.923 1.00 14.33 H new ATOM 0 HZ1 LYS A 49 -14.630 -7.370 4.332 1.00 11.30 H new ATOM 0 HZ2 LYS A 49 -14.579 -5.698 4.037 1.00 11.30 H new ATOM 0 HZ3 LYS A 49 -13.652 -6.757 3.087 1.00 11.30 H new ATOM 802 N SER A 50 -12.629 -5.629 -0.484 1.00 0.04 N ATOM 803 CA SER A 50 -13.186 -5.712 -1.843 1.00 61.22 C ATOM 804 C SER A 50 -14.568 -6.375 -1.864 1.00 32.35 C ATOM 805 O SER A 50 -14.794 -7.389 -1.203 1.00 32.41 O ATOM 806 CB SER A 50 -12.235 -6.504 -2.752 1.00 43.10 C ATOM 807 OG SER A 50 -10.951 -5.904 -2.799 1.00 1.10 O ATOM 0 H SER A 50 -12.397 -6.532 -0.070 1.00 0.04 H new ATOM 0 HA SER A 50 -13.296 -4.691 -2.207 1.00 61.22 H new ATOM 0 HB2 SER A 50 -12.148 -7.527 -2.387 1.00 43.10 H new ATOM 0 HB3 SER A 50 -12.651 -6.558 -3.758 1.00 43.10 H new ATOM 0 HG SER A 50 -10.672 -5.802 -3.733 1.00 1.10 H new ATOM 866 N ARG A 55 -13.071 -12.132 -0.818 1.00 61.14 N ATOM 867 CA ARG A 55 -11.636 -11.884 -0.621 1.00 42.32 C ATOM 868 C ARG A 55 -11.345 -10.378 -0.543 1.00 31.34 C ATOM 869 O ARG A 55 -12.111 -9.559 -1.056 1.00 62.12 O ATOM 870 CB ARG A 55 -10.815 -12.489 -1.774 1.00 10.40 C ATOM 871 CG ARG A 55 -11.154 -11.903 -3.144 1.00 32.11 C ATOM 872 CD ARG A 55 -10.037 -12.131 -4.163 1.00 5.34 C ATOM 873 NE ARG A 55 -9.763 -13.545 -4.404 1.00 32.34 N ATOM 874 CZ ARG A 55 -8.871 -13.981 -5.254 1.00 71.11 C ATOM 875 NH1 ARG A 55 -8.137 -13.153 -5.929 1.00 65.24 N ATOM 876 NH2 ARG A 55 -8.712 -15.252 -5.422 1.00 50.24 N ATOM 0 HA ARG A 55 -11.350 -12.357 0.318 1.00 42.32 H new ATOM 0 HB2 ARG A 55 -9.755 -12.333 -1.574 1.00 10.40 H new ATOM 0 HB3 ARG A 55 -10.979 -13.566 -1.799 1.00 10.40 H new ATOM 0 HG2 ARG A 55 -12.076 -12.353 -3.512 1.00 32.11 H new ATOM 0 HG3 ARG A 55 -11.339 -10.834 -3.044 1.00 32.11 H new ATOM 0 HD2 ARG A 55 -10.309 -11.654 -5.105 1.00 5.34 H new ATOM 0 HD3 ARG A 55 -9.127 -11.645 -3.811 1.00 5.34 H new ATOM 0 HE ARG A 55 -10.300 -14.234 -3.877 1.00 32.34 H new ATOM 0 HH11 ARG A 55 -8.252 -12.148 -5.800 1.00 65.24 H new ATOM 0 HH12 ARG A 55 -7.445 -13.507 -6.589 1.00 65.24 H new ATOM 0 HH21 ARG A 55 -9.282 -15.912 -4.892 1.00 50.24 H new ATOM 0 HH22 ARG A 55 -8.017 -15.596 -6.085 1.00 50.24 H new ATOM 890 N MET A 56 -10.233 -10.017 0.090 1.00 51.42 N ATOM 891 CA MET A 56 -9.775 -8.623 0.112 1.00 21.51 C ATOM 892 C MET A 56 -8.524 -8.453 -0.768 1.00 25.31 C ATOM 893 O MET A 56 -8.029 -9.420 -1.352 1.00 34.42 O ATOM 894 CB MET A 56 -9.489 -8.165 1.554 1.00 11.44 C ATOM 895 CG MET A 56 -8.342 -8.901 2.237 1.00 64.31 C ATOM 896 SD MET A 56 -8.083 -8.346 3.938 1.00 72.43 S ATOM 897 CE MET A 56 -6.576 -9.222 4.354 1.00 61.21 C ATOM 0 H MET A 56 -9.630 -10.666 0.595 1.00 51.42 H new ATOM 0 HA MET A 56 -10.569 -7.996 -0.293 1.00 21.51 H new ATOM 0 HB2 MET A 56 -9.265 -7.098 1.545 1.00 11.44 H new ATOM 0 HB3 MET A 56 -10.393 -8.296 2.149 1.00 11.44 H new ATOM 0 HG2 MET A 56 -8.548 -9.971 2.234 1.00 64.31 H new ATOM 0 HG3 MET A 56 -7.426 -8.751 1.665 1.00 64.31 H new ATOM 0 HE1 MET A 56 -6.466 -9.263 5.438 1.00 61.21 H new ATOM 0 HE2 MET A 56 -6.622 -10.235 3.955 1.00 61.21 H new ATOM 0 HE3 MET A 56 -5.721 -8.701 3.922 1.00 61.21 H new ATOM 907 N ILE A 57 -8.026 -7.225 -0.881 1.00 1.02 N ATOM 908 CA ILE A 57 -6.834 -6.948 -1.694 1.00 34.44 C ATOM 909 C ILE A 57 -5.808 -6.096 -0.931 1.00 22.15 C ATOM 910 O ILE A 57 -6.167 -5.148 -0.230 1.00 11.11 O ATOM 911 CB ILE A 57 -7.197 -6.231 -3.023 1.00 20.24 C ATOM 912 CG1 ILE A 57 -7.841 -4.859 -2.750 1.00 44.44 C ATOM 913 CG2 ILE A 57 -8.121 -7.104 -3.872 1.00 20.40 C ATOM 914 CD1 ILE A 57 -8.173 -4.082 -4.006 1.00 12.54 C ATOM 0 H ILE A 57 -8.424 -6.405 -0.424 1.00 1.02 H new ATOM 0 HA ILE A 57 -6.392 -7.918 -1.922 1.00 34.44 H new ATOM 0 HB ILE A 57 -6.275 -6.065 -3.581 1.00 20.24 H new ATOM 0 HG12 ILE A 57 -8.753 -5.004 -2.172 1.00 44.44 H new ATOM 0 HG13 ILE A 57 -7.164 -4.266 -2.135 1.00 44.44 H new ATOM 0 HG21 ILE A 57 -8.363 -6.584 -4.799 1.00 20.40 H new ATOM 0 HG22 ILE A 57 -7.621 -8.044 -4.104 1.00 20.40 H new ATOM 0 HG23 ILE A 57 -9.038 -7.307 -3.320 1.00 20.40 H new ATOM 0 HD11 ILE A 57 -8.623 -3.127 -3.735 1.00 12.54 H new ATOM 0 HD12 ILE A 57 -7.261 -3.904 -4.576 1.00 12.54 H new ATOM 0 HD13 ILE A 57 -8.874 -4.654 -4.613 1.00 12.54 H new ATOM 926 N GLN A 58 -4.531 -6.439 -1.062 1.00 54.01 N ATOM 927 CA GLN A 58 -3.456 -5.648 -0.455 1.00 60.31 C ATOM 928 C GLN A 58 -2.725 -4.822 -1.521 1.00 32.25 C ATOM 929 O GLN A 58 -1.954 -5.355 -2.318 1.00 53.54 O ATOM 930 CB GLN A 58 -2.489 -6.571 0.294 1.00 61.42 C ATOM 931 CG GLN A 58 -3.096 -7.174 1.558 1.00 3.11 C ATOM 932 CD GLN A 58 -2.180 -8.181 2.226 1.00 65.02 C ATOM 933 OE1 GLN A 58 -0.969 -8.123 2.089 1.00 34.13 O ATOM 934 NE2 GLN A 58 -2.752 -9.095 2.982 1.00 74.11 N ATOM 0 H GLN A 58 -4.211 -7.257 -1.581 1.00 54.01 H new ATOM 0 HA GLN A 58 -3.889 -4.950 0.262 1.00 60.31 H new ATOM 0 HB2 GLN A 58 -2.175 -7.376 -0.371 1.00 61.42 H new ATOM 0 HB3 GLN A 58 -1.593 -6.010 0.560 1.00 61.42 H new ATOM 0 HG2 GLN A 58 -3.325 -6.375 2.263 1.00 3.11 H new ATOM 0 HG3 GLN A 58 -4.040 -7.658 1.307 1.00 3.11 H new ATOM 0 HE21 GLN A 58 -3.767 -9.117 3.076 1.00 74.11 H new ATOM 0 HE22 GLN A 58 -2.180 -9.781 3.474 1.00 74.11 H new ATOM 943 N VAL A 59 -2.982 -3.516 -1.536 1.00 44.13 N ATOM 944 CA VAL A 59 -2.469 -2.634 -2.594 1.00 40.04 C ATOM 945 C VAL A 59 -1.224 -1.855 -2.150 1.00 22.44 C ATOM 946 O VAL A 59 -1.239 -1.167 -1.133 1.00 0.24 O ATOM 947 CB VAL A 59 -3.558 -1.640 -3.066 1.00 45.22 C ATOM 948 CG1 VAL A 59 -3.005 -0.671 -4.112 1.00 51.20 C ATOM 949 CG2 VAL A 59 -4.767 -2.399 -3.612 1.00 44.04 C ATOM 0 H VAL A 59 -3.542 -3.040 -0.829 1.00 44.13 H new ATOM 0 HA VAL A 59 -2.185 -3.282 -3.424 1.00 40.04 H new ATOM 0 HB VAL A 59 -3.878 -1.051 -2.207 1.00 45.22 H new ATOM 0 HG11 VAL A 59 -3.792 0.015 -4.425 1.00 51.20 H new ATOM 0 HG12 VAL A 59 -2.179 -0.104 -3.682 1.00 51.20 H new ATOM 0 HG13 VAL A 59 -2.649 -1.232 -4.976 1.00 51.20 H new ATOM 0 HG21 VAL A 59 -5.525 -1.688 -3.940 1.00 44.04 H new ATOM 0 HG22 VAL A 59 -4.458 -3.016 -4.456 1.00 44.04 H new ATOM 0 HG23 VAL A 59 -5.181 -3.035 -2.830 1.00 44.04 H new ATOM 959 N SER A 60 -0.153 -1.947 -2.932 1.00 41.45 N ATOM 960 CA SER A 60 1.122 -1.304 -2.585 1.00 2.42 C ATOM 961 C SER A 60 1.482 -0.186 -3.572 1.00 65.02 C ATOM 962 O SER A 60 1.582 -0.419 -4.777 1.00 53.22 O ATOM 963 CB SER A 60 2.247 -2.348 -2.553 1.00 4.12 C ATOM 964 OG SER A 60 3.437 -1.809 -1.997 1.00 32.20 O ATOM 0 H SER A 60 -0.137 -2.460 -3.813 1.00 41.45 H new ATOM 0 HA SER A 60 1.007 -0.857 -1.598 1.00 2.42 H new ATOM 0 HB2 SER A 60 1.928 -3.211 -1.968 1.00 4.12 H new ATOM 0 HB3 SER A 60 2.444 -2.704 -3.564 1.00 4.12 H new ATOM 0 HG SER A 60 3.536 -2.119 -1.073 1.00 32.20 H new ATOM 970 N ILE A 61 1.681 1.028 -3.052 1.00 14.54 N ATOM 971 CA ILE A 61 2.024 2.194 -3.883 1.00 53.04 C ATOM 972 C ILE A 61 3.448 2.704 -3.576 1.00 50.22 C ATOM 973 O ILE A 61 3.969 2.483 -2.480 1.00 1.04 O ATOM 974 CB ILE A 61 1.007 3.351 -3.679 1.00 4.15 C ATOM 975 CG1 ILE A 61 1.026 3.842 -2.218 1.00 74.32 C ATOM 976 CG2 ILE A 61 -0.399 2.908 -4.090 1.00 51.25 C ATOM 977 CD1 ILE A 61 0.108 5.017 -1.953 1.00 3.15 C ATOM 0 H ILE A 61 1.611 1.233 -2.055 1.00 14.54 H new ATOM 0 HA ILE A 61 1.983 1.865 -4.921 1.00 53.04 H new ATOM 0 HB ILE A 61 1.300 4.184 -4.317 1.00 4.15 H new ATOM 0 HG12 ILE A 61 0.742 3.017 -1.564 1.00 74.32 H new ATOM 0 HG13 ILE A 61 2.045 4.123 -1.953 1.00 74.32 H new ATOM 0 HG21 ILE A 61 -1.098 3.731 -3.940 1.00 51.25 H new ATOM 0 HG22 ILE A 61 -0.397 2.620 -5.141 1.00 51.25 H new ATOM 0 HG23 ILE A 61 -0.705 2.057 -3.481 1.00 51.25 H new ATOM 0 HD11 ILE A 61 0.178 5.304 -0.904 1.00 3.15 H new ATOM 0 HD12 ILE A 61 0.404 5.858 -2.579 1.00 3.15 H new ATOM 0 HD13 ILE A 61 -0.919 4.736 -2.185 1.00 3.15 H new ATOM 989 N PRO A 62 4.103 3.389 -4.540 1.00 43.23 N ATOM 990 CA PRO A 62 5.471 3.920 -4.356 1.00 0.40 C ATOM 991 C PRO A 62 5.609 4.836 -3.123 1.00 73.24 C ATOM 992 O PRO A 62 4.743 5.670 -2.851 1.00 34.41 O ATOM 993 CB PRO A 62 5.738 4.707 -5.658 1.00 14.14 C ATOM 994 CG PRO A 62 4.397 4.888 -6.292 1.00 61.22 C ATOM 995 CD PRO A 62 3.579 3.699 -5.881 1.00 51.11 C ATOM 0 HA PRO A 62 6.186 3.117 -4.175 1.00 0.40 H new ATOM 0 HB2 PRO A 62 6.206 5.668 -5.447 1.00 14.14 H new ATOM 0 HB3 PRO A 62 6.414 4.161 -6.316 1.00 14.14 H new ATOM 0 HG2 PRO A 62 3.931 5.816 -5.960 1.00 61.22 H new ATOM 0 HG3 PRO A 62 4.483 4.945 -7.377 1.00 61.22 H new ATOM 0 HD2 PRO A 62 2.514 3.930 -5.855 1.00 51.11 H new ATOM 0 HD3 PRO A 62 3.707 2.863 -6.568 1.00 51.11 H new ATOM 1003 N ALA A 63 6.715 4.688 -2.388 1.00 32.20 N ATOM 1004 CA ALA A 63 6.935 5.451 -1.146 1.00 73.12 C ATOM 1005 C ALA A 63 7.134 6.952 -1.401 1.00 10.15 C ATOM 1006 O ALA A 63 7.081 7.757 -0.472 1.00 3.35 O ATOM 1007 CB ALA A 63 8.132 4.890 -0.397 1.00 65.32 C ATOM 0 H ALA A 63 7.473 4.049 -2.627 1.00 32.20 H new ATOM 0 HA ALA A 63 6.034 5.345 -0.541 1.00 73.12 H new ATOM 0 HB1 ALA A 63 8.287 5.460 0.519 1.00 65.32 H new ATOM 0 HB2 ALA A 63 7.948 3.845 -0.148 1.00 65.32 H new ATOM 0 HB3 ALA A 63 9.020 4.963 -1.024 1.00 65.32 H new ATOM 1013 N SER A 64 7.367 7.321 -2.657 1.00 71.52 N ATOM 1014 CA SER A 64 7.493 8.737 -3.043 1.00 3.13 C ATOM 1015 C SER A 64 6.124 9.436 -3.044 1.00 33.54 C ATOM 1016 O SER A 64 6.018 10.620 -3.365 1.00 23.12 O ATOM 1017 CB SER A 64 8.144 8.863 -4.431 1.00 55.24 C ATOM 1018 OG SER A 64 9.431 8.257 -4.457 1.00 41.23 O ATOM 0 H SER A 64 7.474 6.665 -3.430 1.00 71.52 H new ATOM 0 HA SER A 64 8.129 9.226 -2.305 1.00 3.13 H new ATOM 0 HB2 SER A 64 7.504 8.394 -5.179 1.00 55.24 H new ATOM 0 HB3 SER A 64 8.230 9.916 -4.700 1.00 55.24 H new ATOM 0 HG SER A 64 9.819 8.351 -5.352 1.00 41.23 H new ATOM 1024 N VAL A 65 5.078 8.685 -2.695 1.00 54.04 N ATOM 1025 CA VAL A 65 3.721 9.221 -2.576 1.00 74.23 C ATOM 1026 C VAL A 65 3.351 9.456 -1.096 1.00 13.45 C ATOM 1027 O VAL A 65 3.523 8.564 -0.260 1.00 23.55 O ATOM 1028 CB VAL A 65 2.692 8.254 -3.216 1.00 13.11 C ATOM 1029 CG1 VAL A 65 1.265 8.765 -3.029 1.00 51.53 C ATOM 1030 CG2 VAL A 65 3.003 8.039 -4.698 1.00 74.11 C ATOM 0 H VAL A 65 5.148 7.689 -2.487 1.00 54.04 H new ATOM 0 HA VAL A 65 3.694 10.174 -3.105 1.00 74.23 H new ATOM 0 HB VAL A 65 2.771 7.294 -2.707 1.00 13.11 H new ATOM 0 HG11 VAL A 65 0.565 8.067 -3.488 1.00 51.53 H new ATOM 0 HG12 VAL A 65 1.046 8.851 -1.965 1.00 51.53 H new ATOM 0 HG13 VAL A 65 1.164 9.742 -3.501 1.00 51.53 H new ATOM 0 HG21 VAL A 65 2.269 7.357 -5.129 1.00 74.11 H new ATOM 0 HG22 VAL A 65 2.961 8.994 -5.221 1.00 74.11 H new ATOM 0 HG23 VAL A 65 4.000 7.612 -4.802 1.00 74.11 H new ATOM 1040 N PRO A 66 2.840 10.659 -0.752 1.00 12.44 N ATOM 1041 CA PRO A 66 2.454 10.995 0.636 1.00 34.00 C ATOM 1042 C PRO A 66 1.405 10.030 1.233 1.00 53.25 C ATOM 1043 O PRO A 66 0.638 9.388 0.507 1.00 54.34 O ATOM 1044 CB PRO A 66 1.876 12.418 0.518 1.00 61.24 C ATOM 1045 CG PRO A 66 1.574 12.600 -0.934 1.00 74.12 C ATOM 1046 CD PRO A 66 2.603 11.788 -1.669 1.00 20.31 C ATOM 0 HA PRO A 66 3.306 10.917 1.311 1.00 34.00 H new ATOM 0 HB2 PRO A 66 0.977 12.529 1.124 1.00 61.24 H new ATOM 0 HB3 PRO A 66 2.590 13.163 0.868 1.00 61.24 H new ATOM 0 HG2 PRO A 66 0.566 12.260 -1.170 1.00 74.12 H new ATOM 0 HG3 PRO A 66 1.630 13.651 -1.217 1.00 74.12 H new ATOM 0 HD2 PRO A 66 2.236 11.452 -2.639 1.00 20.31 H new ATOM 0 HD3 PRO A 66 3.513 12.359 -1.853 1.00 20.31 H new ATOM 1054 N LEU A 67 1.373 9.949 2.563 1.00 44.33 N ATOM 1055 CA LEU A 67 0.462 9.042 3.269 1.00 21.04 C ATOM 1056 C LEU A 67 -1.006 9.497 3.137 1.00 53.50 C ATOM 1057 O LEU A 67 -1.300 10.692 3.084 1.00 71.11 O ATOM 1058 CB LEU A 67 0.872 8.940 4.746 1.00 31.35 C ATOM 1059 CG LEU A 67 0.052 7.962 5.601 1.00 32.51 C ATOM 1060 CD1 LEU A 67 0.067 6.560 4.993 1.00 32.43 C ATOM 1061 CD2 LEU A 67 0.580 7.938 7.037 1.00 23.43 C ATOM 0 H LEU A 67 1.970 10.503 3.178 1.00 44.33 H new ATOM 0 HA LEU A 67 0.536 8.056 2.810 1.00 21.04 H new ATOM 0 HB2 LEU A 67 1.920 8.644 4.793 1.00 31.35 H new ATOM 0 HB3 LEU A 67 0.801 9.932 5.193 1.00 31.35 H new ATOM 0 HG LEU A 67 -0.982 8.307 5.620 1.00 32.51 H new ATOM 0 HD11 LEU A 67 -0.521 5.887 5.617 1.00 32.43 H new ATOM 0 HD12 LEU A 67 -0.362 6.593 3.991 1.00 32.43 H new ATOM 0 HD13 LEU A 67 1.094 6.199 4.936 1.00 32.43 H new ATOM 0 HD21 LEU A 67 -0.011 7.241 7.630 1.00 23.43 H new ATOM 0 HD22 LEU A 67 1.623 7.620 7.036 1.00 23.43 H new ATOM 0 HD23 LEU A 67 0.505 8.936 7.469 1.00 23.43 H new ATOM 1073 N LYS A 68 -1.921 8.527 3.073 1.00 20.41 N ATOM 1074 CA LYS A 68 -3.351 8.808 2.868 1.00 51.33 C ATOM 1075 C LYS A 68 -4.138 8.917 4.188 1.00 35.01 C ATOM 1076 O LYS A 68 -4.653 9.985 4.520 1.00 34.23 O ATOM 1077 CB LYS A 68 -3.969 7.725 1.966 1.00 42.33 C ATOM 1078 CG LYS A 68 -4.107 8.138 0.503 1.00 14.44 C ATOM 1079 CD LYS A 68 -2.783 8.561 -0.130 1.00 41.53 C ATOM 1080 CE LYS A 68 -2.996 9.066 -1.556 1.00 13.14 C ATOM 1081 NZ LYS A 68 -1.730 9.496 -2.201 1.00 42.24 N ATOM 0 H LYS A 68 -1.700 7.535 3.160 1.00 20.41 H new ATOM 0 HA LYS A 68 -3.421 9.782 2.383 1.00 51.33 H new ATOM 0 HB2 LYS A 68 -3.355 6.826 2.022 1.00 42.33 H new ATOM 0 HB3 LYS A 68 -4.954 7.463 2.353 1.00 42.33 H new ATOM 0 HG2 LYS A 68 -4.524 7.306 -0.065 1.00 14.44 H new ATOM 0 HG3 LYS A 68 -4.817 8.962 0.430 1.00 14.44 H new ATOM 0 HD2 LYS A 68 -2.321 9.344 0.472 1.00 41.53 H new ATOM 0 HD3 LYS A 68 -2.093 7.717 -0.138 1.00 41.53 H new ATOM 0 HE2 LYS A 68 -3.455 8.277 -2.153 1.00 13.14 H new ATOM 0 HE3 LYS A 68 -3.695 9.902 -1.541 1.00 13.14 H new ATOM 0 HZ1 LYS A 68 -1.945 10.113 -3.010 1.00 42.24 H new ATOM 0 HZ2 LYS A 68 -1.149 10.017 -1.513 1.00 42.24 H new ATOM 0 HZ3 LYS A 68 -1.208 8.660 -2.532 1.00 42.24 H new ATOM 1095 N GLU A 69 -4.248 7.802 4.922 1.00 52.22 N ATOM 1096 CA GLU A 69 -5.026 7.754 6.176 1.00 43.35 C ATOM 1097 C GLU A 69 -6.517 8.084 5.941 1.00 65.44 C ATOM 1098 O GLU A 69 -7.100 8.905 6.652 1.00 31.22 O ATOM 1099 CB GLU A 69 -4.432 8.714 7.223 1.00 3.05 C ATOM 1100 CG GLU A 69 -2.995 8.393 7.617 1.00 43.33 C ATOM 1101 CD GLU A 69 -2.427 9.378 8.629 1.00 43.44 C ATOM 1102 OE1 GLU A 69 -1.865 10.412 8.211 1.00 0.32 O ATOM 1103 OE2 GLU A 69 -2.551 9.131 9.846 1.00 31.02 O ATOM 0 H GLU A 69 -3.808 6.916 4.672 1.00 52.22 H new ATOM 0 HA GLU A 69 -4.965 6.733 6.553 1.00 43.35 H new ATOM 0 HB2 GLU A 69 -4.472 9.731 6.832 1.00 3.05 H new ATOM 0 HB3 GLU A 69 -5.056 8.691 8.116 1.00 3.05 H new ATOM 0 HG2 GLU A 69 -2.953 7.387 8.034 1.00 43.33 H new ATOM 0 HG3 GLU A 69 -2.369 8.395 6.724 1.00 43.33 H new ATOM 1110 N PHE A 70 -7.128 7.430 4.950 1.00 44.01 N ATOM 1111 CA PHE A 70 -8.555 7.638 4.641 1.00 52.25 C ATOM 1112 C PHE A 70 -9.483 7.187 5.788 1.00 31.15 C ATOM 1113 O PHE A 70 -9.037 6.646 6.802 1.00 1.35 O ATOM 1114 CB PHE A 70 -8.950 6.884 3.360 1.00 43.51 C ATOM 1115 CG PHE A 70 -8.379 7.456 2.085 1.00 53.40 C ATOM 1116 CD1 PHE A 70 -8.478 8.814 1.812 1.00 41.22 C ATOM 1117 CD2 PHE A 70 -7.768 6.634 1.150 1.00 63.31 C ATOM 1118 CE1 PHE A 70 -7.978 9.336 0.636 1.00 63.11 C ATOM 1119 CE2 PHE A 70 -7.266 7.153 -0.027 1.00 22.22 C ATOM 1120 CZ PHE A 70 -7.372 8.506 -0.286 1.00 33.25 C ATOM 0 H PHE A 70 -6.663 6.752 4.346 1.00 44.01 H new ATOM 0 HA PHE A 70 -8.682 8.712 4.501 1.00 52.25 H new ATOM 0 HB2 PHE A 70 -8.628 5.847 3.452 1.00 43.51 H new ATOM 0 HB3 PHE A 70 -10.037 6.874 3.282 1.00 43.51 H new ATOM 0 HD1 PHE A 70 -8.952 9.469 2.528 1.00 41.22 H new ATOM 0 HD2 PHE A 70 -7.684 5.575 1.345 1.00 63.31 H new ATOM 0 HE1 PHE A 70 -8.061 10.394 0.437 1.00 63.11 H new ATOM 0 HE2 PHE A 70 -6.791 6.501 -0.745 1.00 22.22 H new ATOM 0 HZ PHE A 70 -6.982 8.913 -1.207 1.00 33.25 H new ATOM 1130 N ASP A 71 -10.782 7.416 5.604 1.00 1.45 N ATOM 1131 CA ASP A 71 -11.797 6.985 6.565 1.00 53.11 C ATOM 1132 C ASP A 71 -11.991 5.458 6.547 1.00 11.52 C ATOM 1133 O ASP A 71 -11.758 4.796 5.529 1.00 72.34 O ATOM 1134 CB ASP A 71 -13.126 7.679 6.266 1.00 73.23 C ATOM 1135 CG ASP A 71 -13.039 9.186 6.425 1.00 73.05 C ATOM 1136 OD1 ASP A 71 -13.172 9.670 7.567 1.00 73.33 O ATOM 1137 OD2 ASP A 71 -12.843 9.892 5.414 1.00 0.30 O ATOM 0 H ASP A 71 -11.159 7.902 4.791 1.00 1.45 H new ATOM 0 HA ASP A 71 -11.450 7.265 7.560 1.00 53.11 H new ATOM 0 HB2 ASP A 71 -13.437 7.441 5.249 1.00 73.23 H new ATOM 0 HB3 ASP A 71 -13.895 7.289 6.933 1.00 73.23 H new ATOM 1142 N TYR A 72 -12.440 4.916 7.673 1.00 11.41 N ATOM 1143 CA TYR A 72 -12.641 3.473 7.822 1.00 11.45 C ATOM 1144 C TYR A 72 -13.794 2.973 6.926 1.00 20.31 C ATOM 1145 O TYR A 72 -14.937 3.417 7.058 1.00 43.44 O ATOM 1146 CB TYR A 72 -12.913 3.146 9.299 1.00 13.53 C ATOM 1147 CG TYR A 72 -12.852 1.667 9.642 1.00 70.23 C ATOM 1148 CD1 TYR A 72 -11.679 0.941 9.460 1.00 31.41 C ATOM 1149 CD2 TYR A 72 -13.959 1.002 10.164 1.00 50.31 C ATOM 1150 CE1 TYR A 72 -11.612 -0.404 9.779 1.00 42.21 C ATOM 1151 CE2 TYR A 72 -13.899 -0.342 10.485 1.00 34.51 C ATOM 1152 CZ TYR A 72 -12.724 -1.039 10.292 1.00 43.12 C ATOM 1153 OH TYR A 72 -12.662 -2.380 10.611 1.00 2.12 O ATOM 0 H TYR A 72 -12.675 5.457 8.505 1.00 11.41 H new ATOM 0 HA TYR A 72 -11.736 2.957 7.501 1.00 11.45 H new ATOM 0 HB2 TYR A 72 -12.188 3.678 9.915 1.00 13.53 H new ATOM 0 HB3 TYR A 72 -13.899 3.527 9.566 1.00 13.53 H new ATOM 0 HD1 TYR A 72 -10.805 1.436 9.063 1.00 31.41 H new ATOM 0 HD2 TYR A 72 -14.879 1.545 10.321 1.00 50.31 H new ATOM 0 HE1 TYR A 72 -10.695 -0.953 9.627 1.00 42.21 H new ATOM 0 HE2 TYR A 72 -14.768 -0.844 10.885 1.00 34.51 H new ATOM 0 HH TYR A 72 -13.529 -2.673 10.961 1.00 2.12 H new ATOM 1163 N ASN A 73 -13.470 2.056 6.008 1.00 15.11 N ATOM 1164 CA ASN A 73 -14.440 1.514 5.038 1.00 34.11 C ATOM 1165 C ASN A 73 -15.009 2.596 4.104 1.00 4.33 C ATOM 1166 O ASN A 73 -16.168 2.530 3.691 1.00 73.04 O ATOM 1167 CB ASN A 73 -15.581 0.765 5.746 1.00 74.32 C ATOM 1168 CG ASN A 73 -15.160 -0.614 6.224 1.00 51.34 C ATOM 1169 OD1 ASN A 73 -15.246 -1.595 5.489 1.00 5.14 O ATOM 1170 ND2 ASN A 73 -14.711 -0.706 7.455 1.00 71.11 N ATOM 0 H ASN A 73 -12.532 1.667 5.913 1.00 15.11 H new ATOM 0 HA ASN A 73 -13.889 0.806 4.418 1.00 34.11 H new ATOM 0 HB2 ASN A 73 -15.924 1.353 6.598 1.00 74.32 H new ATOM 0 HB3 ASN A 73 -16.426 0.668 5.064 1.00 74.32 H new ATOM 0 HD21 ASN A 73 -14.421 -1.611 7.826 1.00 71.11 H new ATOM 0 HD22 ASN A 73 -14.652 0.128 8.040 1.00 71.11 H new ATOM 1177 N ALA A 74 -14.183 3.583 3.757 1.00 24.11 N ATOM 1178 CA ALA A 74 -14.565 4.599 2.768 1.00 73.02 C ATOM 1179 C ALA A 74 -14.216 4.143 1.341 1.00 4.24 C ATOM 1180 O ALA A 74 -13.177 3.514 1.122 1.00 33.42 O ATOM 1181 CB ALA A 74 -13.880 5.926 3.079 1.00 13.33 C ATOM 0 H ALA A 74 -13.247 3.703 4.143 1.00 24.11 H new ATOM 0 HA ALA A 74 -15.645 4.736 2.826 1.00 73.02 H new ATOM 0 HB1 ALA A 74 -14.173 6.669 2.337 1.00 13.33 H new ATOM 0 HB2 ALA A 74 -14.178 6.266 4.071 1.00 13.33 H new ATOM 0 HB3 ALA A 74 -12.799 5.792 3.051 1.00 13.33 H new ATOM 1187 N ARG A 75 -15.084 4.462 0.377 1.00 32.13 N ATOM 1188 CA ARG A 75 -14.858 4.084 -1.028 1.00 52.23 C ATOM 1189 C ARG A 75 -13.586 4.723 -1.609 1.00 2.13 C ATOM 1190 O ARG A 75 -13.484 5.947 -1.742 1.00 0.31 O ATOM 1191 CB ARG A 75 -16.072 4.447 -1.907 1.00 12.53 C ATOM 1192 CG ARG A 75 -17.061 3.301 -2.108 1.00 63.50 C ATOM 1193 CD ARG A 75 -17.844 2.973 -0.845 1.00 52.42 C ATOM 1194 NE ARG A 75 -18.890 3.957 -0.570 1.00 35.45 N ATOM 1195 CZ ARG A 75 -20.137 3.649 -0.339 1.00 44.15 C ATOM 1196 NH1 ARG A 75 -20.540 2.419 -0.429 1.00 50.34 N ATOM 1197 NH2 ARG A 75 -20.994 4.579 -0.062 1.00 11.13 N ATOM 0 H ARG A 75 -15.948 4.979 0.539 1.00 32.13 H new ATOM 0 HA ARG A 75 -14.723 3.002 -1.036 1.00 52.23 H new ATOM 0 HB2 ARG A 75 -16.595 5.289 -1.455 1.00 12.53 H new ATOM 0 HB3 ARG A 75 -15.715 4.780 -2.882 1.00 12.53 H new ATOM 0 HG2 ARG A 75 -17.757 3.563 -2.905 1.00 63.50 H new ATOM 0 HG3 ARG A 75 -16.520 2.413 -2.436 1.00 63.50 H new ATOM 0 HD2 ARG A 75 -18.294 1.986 -0.945 1.00 52.42 H new ATOM 0 HD3 ARG A 75 -17.160 2.927 0.002 1.00 52.42 H new ATOM 0 HE ARG A 75 -18.629 4.943 -0.558 1.00 35.45 H new ATOM 0 HH11 ARG A 75 -19.880 1.683 -0.682 1.00 50.34 H new ATOM 0 HH12 ARG A 75 -21.517 2.188 -0.247 1.00 50.34 H new ATOM 0 HH21 ARG A 75 -20.695 5.553 -0.024 1.00 11.13 H new ATOM 0 HH22 ARG A 75 -21.968 4.337 0.118 1.00 11.13 H new ATOM 1211 N VAL A 76 -12.627 3.873 -1.964 1.00 32.21 N ATOM 1212 CA VAL A 76 -11.371 4.308 -2.584 1.00 63.24 C ATOM 1213 C VAL A 76 -11.126 3.578 -3.918 1.00 41.34 C ATOM 1214 O VAL A 76 -11.514 2.421 -4.083 1.00 51.15 O ATOM 1215 CB VAL A 76 -10.164 4.065 -1.641 1.00 71.42 C ATOM 1216 CG1 VAL A 76 -10.330 4.843 -0.337 1.00 13.23 C ATOM 1217 CG2 VAL A 76 -9.980 2.571 -1.360 1.00 50.40 C ATOM 0 H VAL A 76 -12.695 2.864 -1.832 1.00 32.21 H new ATOM 0 HA VAL A 76 -11.464 5.377 -2.774 1.00 63.24 H new ATOM 0 HB VAL A 76 -9.267 4.427 -2.143 1.00 71.42 H new ATOM 0 HG11 VAL A 76 -9.472 4.658 0.309 1.00 13.23 H new ATOM 0 HG12 VAL A 76 -10.396 5.909 -0.555 1.00 13.23 H new ATOM 0 HG13 VAL A 76 -11.240 4.518 0.167 1.00 13.23 H new ATOM 0 HG21 VAL A 76 -9.127 2.428 -0.696 1.00 50.40 H new ATOM 0 HG22 VAL A 76 -10.879 2.177 -0.886 1.00 50.40 H new ATOM 0 HG23 VAL A 76 -9.803 2.044 -2.297 1.00 50.40 H new ATOM 1227 N GLU A 77 -10.496 4.260 -4.870 1.00 54.32 N ATOM 1228 CA GLU A 77 -10.185 3.668 -6.176 1.00 5.14 C ATOM 1229 C GLU A 77 -8.685 3.788 -6.502 1.00 54.24 C ATOM 1230 O GLU A 77 -7.959 4.584 -5.899 1.00 34.23 O ATOM 1231 CB GLU A 77 -11.024 4.331 -7.283 1.00 73.22 C ATOM 1232 CG GLU A 77 -10.796 5.832 -7.417 1.00 43.22 C ATOM 1233 CD GLU A 77 -11.536 6.439 -8.600 1.00 44.11 C ATOM 1234 OE1 GLU A 77 -12.766 6.640 -8.504 1.00 62.24 O ATOM 1235 OE2 GLU A 77 -10.888 6.724 -9.632 1.00 23.21 O ATOM 0 H GLU A 77 -10.188 5.227 -4.765 1.00 54.32 H new ATOM 0 HA GLU A 77 -10.437 2.609 -6.129 1.00 5.14 H new ATOM 0 HB2 GLU A 77 -10.794 3.852 -8.235 1.00 73.22 H new ATOM 0 HB3 GLU A 77 -12.080 4.151 -7.082 1.00 73.22 H new ATOM 0 HG2 GLU A 77 -11.118 6.327 -6.501 1.00 43.22 H new ATOM 0 HG3 GLU A 77 -9.729 6.024 -7.525 1.00 43.22 H new ATOM 1242 N LEU A 78 -8.228 2.996 -7.470 1.00 53.54 N ATOM 1243 CA LEU A 78 -6.810 2.955 -7.842 1.00 75.22 C ATOM 1244 C LEU A 78 -6.567 3.576 -9.224 1.00 34.23 C ATOM 1245 O LEU A 78 -7.327 3.339 -10.164 1.00 20.30 O ATOM 1246 CB LEU A 78 -6.311 1.502 -7.837 1.00 22.11 C ATOM 1247 CG LEU A 78 -6.455 0.766 -6.494 1.00 74.25 C ATOM 1248 CD1 LEU A 78 -5.964 -0.676 -6.605 1.00 14.13 C ATOM 1249 CD2 LEU A 78 -5.710 1.514 -5.393 1.00 33.44 C ATOM 0 H LEU A 78 -8.821 2.370 -8.015 1.00 53.54 H new ATOM 0 HA LEU A 78 -6.258 3.541 -7.107 1.00 75.22 H new ATOM 0 HB2 LEU A 78 -6.856 0.945 -8.599 1.00 22.11 H new ATOM 0 HB3 LEU A 78 -5.260 1.494 -8.127 1.00 22.11 H new ATOM 0 HG LEU A 78 -7.513 0.737 -6.232 1.00 74.25 H new ATOM 0 HD11 LEU A 78 -6.077 -1.174 -5.642 1.00 14.13 H new ATOM 0 HD12 LEU A 78 -6.551 -1.203 -7.357 1.00 14.13 H new ATOM 0 HD13 LEU A 78 -4.913 -0.681 -6.895 1.00 14.13 H new ATOM 0 HD21 LEU A 78 -5.822 0.979 -4.450 1.00 33.44 H new ATOM 0 HD22 LEU A 78 -4.653 1.580 -5.649 1.00 33.44 H new ATOM 0 HD23 LEU A 78 -6.122 2.518 -5.292 1.00 33.44 H new ATOM 1261 N ILE A 79 -5.498 4.366 -9.337 1.00 3.24 N ATOM 1262 CA ILE A 79 -5.110 4.971 -10.619 1.00 43.31 C ATOM 1263 C ILE A 79 -4.648 3.892 -11.620 1.00 44.14 C ATOM 1264 O ILE A 79 -5.323 3.621 -12.613 1.00 2.53 O ATOM 1265 CB ILE A 79 -3.985 6.035 -10.441 1.00 22.50 C ATOM 1266 CG1 ILE A 79 -4.501 7.288 -9.702 1.00 65.11 C ATOM 1267 CG2 ILE A 79 -3.400 6.438 -11.797 1.00 64.20 C ATOM 1268 CD1 ILE A 79 -4.912 7.054 -8.266 1.00 45.14 C ATOM 0 H ILE A 79 -4.884 4.604 -8.558 1.00 3.24 H new ATOM 0 HA ILE A 79 -5.994 5.471 -11.013 1.00 43.31 H new ATOM 0 HB ILE A 79 -3.202 5.579 -9.835 1.00 22.50 H new ATOM 0 HG12 ILE A 79 -3.723 8.051 -9.722 1.00 65.11 H new ATOM 0 HG13 ILE A 79 -5.355 7.689 -10.249 1.00 65.11 H new ATOM 0 HG21 ILE A 79 -2.617 7.181 -11.649 1.00 64.20 H new ATOM 0 HG22 ILE A 79 -2.979 5.560 -12.287 1.00 64.20 H new ATOM 0 HG23 ILE A 79 -4.187 6.860 -12.422 1.00 64.20 H new ATOM 0 HD11 ILE A 79 -5.260 7.990 -7.830 1.00 45.14 H new ATOM 0 HD12 ILE A 79 -5.715 6.318 -8.233 1.00 45.14 H new ATOM 0 HD13 ILE A 79 -4.058 6.685 -7.699 1.00 45.14 H new ATOM 1280 N ASN A 80 -3.499 3.268 -11.342 1.00 75.02 N ATOM 1281 CA ASN A 80 -2.969 2.189 -12.193 1.00 2.02 C ATOM 1282 C ASN A 80 -2.758 0.894 -11.384 1.00 3.34 C ATOM 1283 O ASN A 80 -1.677 0.667 -10.844 1.00 12.10 O ATOM 1284 CB ASN A 80 -1.643 2.617 -12.838 1.00 43.42 C ATOM 1285 CG ASN A 80 -1.787 3.841 -13.726 1.00 14.31 C ATOM 1286 OD1 ASN A 80 -2.825 4.067 -14.336 1.00 35.14 O ATOM 1287 ND2 ASN A 80 -0.746 4.642 -13.802 1.00 44.54 N ATOM 0 H ASN A 80 -2.915 3.489 -10.535 1.00 75.02 H new ATOM 0 HA ASN A 80 -3.703 1.993 -12.975 1.00 2.02 H new ATOM 0 HB2 ASN A 80 -0.914 2.826 -12.055 1.00 43.42 H new ATOM 0 HB3 ASN A 80 -1.248 1.790 -13.428 1.00 43.42 H new ATOM 0 HD21 ASN A 80 -0.789 5.480 -14.382 1.00 44.54 H new ATOM 0 HD22 ASN A 80 0.104 4.425 -13.281 1.00 44.54 H new ATOM 1294 N PRO A 81 -3.810 0.060 -11.242 1.00 1.45 N ATOM 1295 CA PRO A 81 -3.723 -1.218 -10.514 1.00 4.12 C ATOM 1296 C PRO A 81 -3.134 -2.366 -11.358 1.00 64.43 C ATOM 1297 O PRO A 81 -3.571 -2.610 -12.485 1.00 13.40 O ATOM 1298 CB PRO A 81 -5.187 -1.500 -10.164 1.00 41.44 C ATOM 1299 CG PRO A 81 -5.966 -0.898 -11.290 1.00 43.55 C ATOM 1300 CD PRO A 81 -5.171 0.297 -11.769 1.00 35.12 C ATOM 0 HA PRO A 81 -3.055 -1.153 -9.655 1.00 4.12 H new ATOM 0 HB2 PRO A 81 -5.375 -2.570 -10.079 1.00 41.44 H new ATOM 0 HB3 PRO A 81 -5.460 -1.052 -9.209 1.00 41.44 H new ATOM 0 HG2 PRO A 81 -6.106 -1.620 -12.095 1.00 43.55 H new ATOM 0 HG3 PRO A 81 -6.959 -0.596 -10.957 1.00 43.55 H new ATOM 0 HD2 PRO A 81 -5.171 0.365 -12.857 1.00 35.12 H new ATOM 0 HD3 PRO A 81 -5.588 1.231 -11.391 1.00 35.12 H new ATOM 1308 N ILE A 82 -2.142 -3.069 -10.812 1.00 44.54 N ATOM 1309 CA ILE A 82 -1.576 -4.260 -11.460 1.00 53.32 C ATOM 1310 C ILE A 82 -1.328 -5.382 -10.435 1.00 43.14 C ATOM 1311 O ILE A 82 -0.761 -5.155 -9.368 1.00 13.25 O ATOM 1312 CB ILE A 82 -0.253 -3.943 -12.214 1.00 70.23 C ATOM 1313 CG1 ILE A 82 0.762 -3.252 -11.283 1.00 11.22 C ATOM 1314 CG2 ILE A 82 -0.528 -3.084 -13.453 1.00 45.23 C ATOM 1315 CD1 ILE A 82 2.075 -2.903 -11.953 1.00 64.40 C ATOM 0 H ILE A 82 -1.710 -2.836 -9.918 1.00 44.54 H new ATOM 0 HA ILE A 82 -2.312 -4.596 -12.191 1.00 53.32 H new ATOM 0 HB ILE A 82 0.182 -4.887 -12.543 1.00 70.23 H new ATOM 0 HG12 ILE A 82 0.314 -2.340 -10.887 1.00 11.22 H new ATOM 0 HG13 ILE A 82 0.962 -3.904 -10.433 1.00 11.22 H new ATOM 0 HG21 ILE A 82 0.411 -2.874 -13.966 1.00 45.23 H new ATOM 0 HG22 ILE A 82 -1.197 -3.620 -14.126 1.00 45.23 H new ATOM 0 HG23 ILE A 82 -0.994 -2.146 -13.150 1.00 45.23 H new ATOM 0 HD11 ILE A 82 2.734 -2.420 -11.232 1.00 64.40 H new ATOM 0 HD12 ILE A 82 2.547 -3.813 -12.324 1.00 64.40 H new ATOM 0 HD13 ILE A 82 1.890 -2.225 -12.786 1.00 64.40 H new ATOM 1327 N ALA A 83 -1.788 -6.590 -10.753 1.00 35.01 N ATOM 1328 CA ALA A 83 -1.592 -7.748 -9.875 1.00 42.13 C ATOM 1329 C ALA A 83 -0.189 -8.347 -10.042 1.00 33.11 C ATOM 1330 O ALA A 83 0.237 -8.658 -11.160 1.00 24.44 O ATOM 1331 CB ALA A 83 -2.659 -8.801 -10.156 1.00 72.51 C ATOM 0 H ALA A 83 -2.299 -6.795 -11.611 1.00 35.01 H new ATOM 0 HA ALA A 83 -1.686 -7.411 -8.843 1.00 42.13 H new ATOM 0 HB1 ALA A 83 -2.506 -9.658 -9.500 1.00 72.51 H new ATOM 0 HB2 ALA A 83 -3.646 -8.376 -9.974 1.00 72.51 H new ATOM 0 HB3 ALA A 83 -2.588 -9.123 -11.195 1.00 72.51 H new ATOM 1337 N ASP A 84 0.525 -8.517 -8.930 1.00 44.52 N ATOM 1338 CA ASP A 84 1.891 -9.055 -8.963 1.00 22.45 C ATOM 1339 C ASP A 84 2.060 -10.263 -8.031 1.00 72.51 C ATOM 1340 O ASP A 84 1.654 -10.226 -6.866 1.00 71.24 O ATOM 1341 CB ASP A 84 2.904 -7.966 -8.580 1.00 21.44 C ATOM 1342 CG ASP A 84 3.182 -6.997 -9.715 1.00 63.03 C ATOM 1343 OD1 ASP A 84 4.079 -7.286 -10.537 1.00 2.10 O ATOM 1344 OD2 ASP A 84 2.514 -5.951 -9.792 1.00 53.52 O ATOM 0 H ASP A 84 0.184 -8.292 -7.995 1.00 44.52 H new ATOM 0 HA ASP A 84 2.077 -9.390 -9.983 1.00 22.45 H new ATOM 0 HB2 ASP A 84 2.528 -7.413 -7.720 1.00 21.44 H new ATOM 0 HB3 ASP A 84 3.838 -8.437 -8.273 1.00 21.44 H new ATOM 1522 N TRP A 98 -3.421 -11.907 -1.691 1.00 44.05 N ATOM 1523 CA TRP A 98 -2.737 -11.479 -2.919 1.00 61.53 C ATOM 1524 C TRP A 98 -2.455 -9.962 -2.943 1.00 54.13 C ATOM 1525 O TRP A 98 -3.268 -9.142 -2.492 1.00 64.23 O ATOM 1526 CB TRP A 98 -3.543 -11.908 -4.160 1.00 23.24 C ATOM 1527 CG TRP A 98 -4.866 -11.208 -4.352 1.00 42.42 C ATOM 1528 CD1 TRP A 98 -5.855 -11.018 -3.426 1.00 1.01 C ATOM 1529 CD2 TRP A 98 -5.353 -10.634 -5.574 1.00 54.13 C ATOM 1530 NE1 TRP A 98 -6.912 -10.352 -3.993 1.00 33.25 N ATOM 1531 CE2 TRP A 98 -6.630 -10.106 -5.309 1.00 73.53 C ATOM 1532 CE3 TRP A 98 -4.825 -10.507 -6.863 1.00 34.12 C ATOM 1533 CZ2 TRP A 98 -7.387 -9.466 -6.288 1.00 0.20 C ATOM 1534 CZ3 TRP A 98 -5.580 -9.872 -7.833 1.00 21.34 C ATOM 1535 CH2 TRP A 98 -6.847 -9.358 -7.541 1.00 63.11 C ATOM 0 HA TRP A 98 -1.767 -11.976 -2.937 1.00 61.53 H new ATOM 0 HB2 TRP A 98 -2.931 -11.738 -5.045 1.00 23.24 H new ATOM 0 HB3 TRP A 98 -3.725 -12.981 -4.100 1.00 23.24 H new ATOM 0 HD1 TRP A 98 -5.810 -11.345 -2.398 1.00 1.01 H new ATOM 0 HE1 TRP A 98 -7.770 -10.083 -3.511 1.00 33.25 H new ATOM 0 HE3 TRP A 98 -3.846 -10.898 -7.097 1.00 34.12 H new ATOM 0 HZ2 TRP A 98 -8.366 -9.069 -6.066 1.00 0.20 H new ATOM 0 HZ3 TRP A 98 -5.184 -9.772 -8.833 1.00 21.34 H new ATOM 0 HH2 TRP A 98 -7.411 -8.866 -8.320 1.00 63.11 H new ATOM 1546 N TYR A 99 -1.288 -9.603 -3.484 1.00 2.50 N ATOM 1547 CA TYR A 99 -0.841 -8.205 -3.550 1.00 60.42 C ATOM 1548 C TYR A 99 -1.120 -7.573 -4.926 1.00 34.33 C ATOM 1549 O TYR A 99 -0.927 -8.202 -5.976 1.00 15.31 O ATOM 1550 CB TYR A 99 0.665 -8.111 -3.249 1.00 51.31 C ATOM 1551 CG TYR A 99 1.037 -8.298 -1.786 1.00 22.32 C ATOM 1552 CD1 TYR A 99 1.038 -9.560 -1.196 1.00 53.43 C ATOM 1553 CD2 TYR A 99 1.407 -7.210 -1.002 1.00 63.12 C ATOM 1554 CE1 TYR A 99 1.400 -9.725 0.129 1.00 22.44 C ATOM 1555 CE2 TYR A 99 1.765 -7.368 0.322 1.00 61.23 C ATOM 1556 CZ TYR A 99 1.761 -8.626 0.885 1.00 3.20 C ATOM 1557 OH TYR A 99 2.130 -8.786 2.204 1.00 12.12 O ATOM 0 H TYR A 99 -0.628 -10.268 -3.887 1.00 2.50 H new ATOM 0 HA TYR A 99 -1.408 -7.654 -2.800 1.00 60.42 H new ATOM 0 HB2 TYR A 99 1.187 -8.863 -3.841 1.00 51.31 H new ATOM 0 HB3 TYR A 99 1.027 -7.137 -3.580 1.00 51.31 H new ATOM 0 HD1 TYR A 99 0.752 -10.422 -1.781 1.00 53.43 H new ATOM 0 HD2 TYR A 99 1.414 -6.222 -1.438 1.00 63.12 H new ATOM 0 HE1 TYR A 99 1.400 -10.710 0.571 1.00 22.44 H new ATOM 0 HE2 TYR A 99 2.047 -6.510 0.914 1.00 61.23 H new ATOM 0 HH TYR A 99 2.776 -8.091 2.450 1.00 12.12 H new ATOM 1567 N ILE A 100 -1.568 -6.322 -4.906 1.00 74.20 N ATOM 1568 CA ILE A 100 -1.783 -5.535 -6.123 1.00 34.34 C ATOM 1569 C ILE A 100 -0.998 -4.220 -6.047 1.00 54.03 C ATOM 1570 O ILE A 100 -1.273 -3.372 -5.200 1.00 23.22 O ATOM 1571 CB ILE A 100 -3.286 -5.200 -6.331 1.00 43.03 C ATOM 1572 CG1 ILE A 100 -4.141 -6.479 -6.297 1.00 22.45 C ATOM 1573 CG2 ILE A 100 -3.498 -4.451 -7.649 1.00 1.41 C ATOM 1574 CD1 ILE A 100 -5.625 -6.223 -6.463 1.00 33.31 C ATOM 0 H ILE A 100 -1.794 -5.821 -4.046 1.00 74.20 H new ATOM 0 HA ILE A 100 -1.436 -6.138 -6.962 1.00 34.34 H new ATOM 0 HB ILE A 100 -3.603 -4.553 -5.513 1.00 43.03 H new ATOM 0 HG12 ILE A 100 -3.806 -7.151 -7.088 1.00 22.45 H new ATOM 0 HG13 ILE A 100 -3.973 -6.993 -5.350 1.00 22.45 H new ATOM 0 HG21 ILE A 100 -4.557 -4.227 -7.774 1.00 1.41 H new ATOM 0 HG22 ILE A 100 -2.930 -3.521 -7.635 1.00 1.41 H new ATOM 0 HG23 ILE A 100 -3.158 -5.071 -8.479 1.00 1.41 H new ATOM 0 HD11 ILE A 100 -6.164 -7.170 -6.429 1.00 33.31 H new ATOM 0 HD12 ILE A 100 -5.975 -5.577 -5.658 1.00 33.31 H new ATOM 0 HD13 ILE A 100 -5.805 -5.737 -7.422 1.00 33.31 H new ATOM 1586 N LYS A 101 -0.014 -4.051 -6.918 1.00 53.42 N ATOM 1587 CA LYS A 101 0.772 -2.817 -6.944 1.00 53.05 C ATOM 1588 C LYS A 101 0.048 -1.740 -7.759 1.00 3.10 C ATOM 1589 O LYS A 101 -0.542 -2.026 -8.800 1.00 34.52 O ATOM 1590 CB LYS A 101 2.176 -3.090 -7.506 1.00 21.12 C ATOM 1591 CG LYS A 101 2.951 -4.134 -6.702 1.00 20.31 C ATOM 1592 CD LYS A 101 4.366 -4.349 -7.237 1.00 41.15 C ATOM 1593 CE LYS A 101 5.208 -3.080 -7.145 1.00 64.21 C ATOM 1594 NZ LYS A 101 6.628 -3.322 -7.519 1.00 34.20 N ATOM 0 H LYS A 101 0.261 -4.745 -7.613 1.00 53.42 H new ATOM 0 HA LYS A 101 0.883 -2.448 -5.924 1.00 53.05 H new ATOM 0 HB2 LYS A 101 2.088 -3.427 -8.539 1.00 21.12 H new ATOM 0 HB3 LYS A 101 2.742 -2.159 -7.522 1.00 21.12 H new ATOM 0 HG2 LYS A 101 3.004 -3.820 -5.659 1.00 20.31 H new ATOM 0 HG3 LYS A 101 2.410 -5.080 -6.723 1.00 20.31 H new ATOM 0 HD2 LYS A 101 4.850 -5.147 -6.674 1.00 41.15 H new ATOM 0 HD3 LYS A 101 4.316 -4.677 -8.275 1.00 41.15 H new ATOM 0 HE2 LYS A 101 4.786 -2.317 -7.800 1.00 64.21 H new ATOM 0 HE3 LYS A 101 5.163 -2.688 -6.129 1.00 64.21 H new ATOM 0 HZ1 LYS A 101 7.163 -2.434 -7.442 1.00 34.20 H new ATOM 0 HZ2 LYS A 101 7.040 -4.031 -6.879 1.00 34.20 H new ATOM 0 HZ3 LYS A 101 6.675 -3.671 -8.498 1.00 34.20 H new ATOM 1608 N ALA A 102 0.071 -0.501 -7.281 1.00 54.04 N ATOM 1609 CA ALA A 102 -0.672 0.575 -7.939 1.00 51.54 C ATOM 1610 C ALA A 102 0.098 1.896 -7.944 1.00 13.00 C ATOM 1611 O ALA A 102 1.028 2.096 -7.165 1.00 15.32 O ATOM 1612 CB ALA A 102 -2.025 0.757 -7.265 1.00 31.12 C ATOM 0 H ALA A 102 0.589 -0.215 -6.450 1.00 54.04 H new ATOM 0 HA ALA A 102 -0.815 0.284 -8.980 1.00 51.54 H new ATOM 0 HB1 ALA A 102 -2.573 1.559 -7.759 1.00 31.12 H new ATOM 0 HB2 ALA A 102 -2.595 -0.169 -7.337 1.00 31.12 H new ATOM 0 HB3 ALA A 102 -1.877 1.012 -6.216 1.00 31.12 H new ATOM 1618 N ASP A 103 -0.300 2.789 -8.843 1.00 32.03 N ATOM 1619 CA ASP A 103 0.272 4.134 -8.915 1.00 5.42 C ATOM 1620 C ASP A 103 -0.013 4.925 -7.623 1.00 2.22 C ATOM 1621 O ASP A 103 0.902 5.432 -6.973 1.00 44.35 O ATOM 1622 CB ASP A 103 -0.312 4.873 -10.125 1.00 23.35 C ATOM 1623 CG ASP A 103 0.360 6.208 -10.376 1.00 11.13 C ATOM 1624 OD1 ASP A 103 1.604 6.244 -10.462 1.00 60.11 O ATOM 1625 OD2 ASP A 103 -0.351 7.227 -10.479 1.00 11.41 O ATOM 0 H ASP A 103 -1.023 2.606 -9.539 1.00 32.03 H new ATOM 0 HA ASP A 103 1.353 4.048 -9.026 1.00 5.42 H new ATOM 0 HB2 ASP A 103 -0.210 4.247 -11.012 1.00 23.35 H new ATOM 0 HB3 ASP A 103 -1.379 5.032 -9.968 1.00 23.35 H new ATOM 1630 N ASP A 104 -1.297 5.027 -7.267 1.00 62.33 N ATOM 1631 CA ASP A 104 -1.718 5.712 -6.040 1.00 50.54 C ATOM 1632 C ASP A 104 -3.163 5.328 -5.664 1.00 22.34 C ATOM 1633 O ASP A 104 -3.905 4.762 -6.478 1.00 2.22 O ATOM 1634 CB ASP A 104 -1.591 7.237 -6.210 1.00 74.24 C ATOM 1635 CG ASP A 104 -1.746 8.004 -4.902 1.00 35.33 C ATOM 1636 OD1 ASP A 104 -1.496 7.422 -3.825 1.00 21.42 O ATOM 1637 OD2 ASP A 104 -2.106 9.200 -4.945 1.00 14.21 O ATOM 0 H ASP A 104 -2.067 4.642 -7.814 1.00 62.33 H new ATOM 0 HA ASP A 104 -1.063 5.395 -5.229 1.00 50.54 H new ATOM 0 HB2 ASP A 104 -0.619 7.467 -6.645 1.00 74.24 H new ATOM 0 HB3 ASP A 104 -2.346 7.581 -6.917 1.00 74.24 H new ATOM 1642 N ILE A 105 -3.546 5.631 -4.422 1.00 64.51 N ATOM 1643 CA ILE A 105 -4.887 5.333 -3.901 1.00 74.22 C ATOM 1644 C ILE A 105 -5.660 6.624 -3.581 1.00 70.33 C ATOM 1645 O ILE A 105 -5.255 7.397 -2.713 1.00 5.21 O ATOM 1646 CB ILE A 105 -4.794 4.484 -2.607 1.00 34.14 C ATOM 1647 CG1 ILE A 105 -3.915 3.244 -2.837 1.00 15.13 C ATOM 1648 CG2 ILE A 105 -6.190 4.076 -2.125 1.00 22.15 C ATOM 1649 CD1 ILE A 105 -3.662 2.428 -1.590 1.00 41.04 C ATOM 0 H ILE A 105 -2.936 6.091 -3.746 1.00 64.51 H new ATOM 0 HA ILE A 105 -5.416 4.777 -4.675 1.00 74.22 H new ATOM 0 HB ILE A 105 -4.331 5.093 -1.831 1.00 34.14 H new ATOM 0 HG12 ILE A 105 -4.390 2.608 -3.584 1.00 15.13 H new ATOM 0 HG13 ILE A 105 -2.958 3.562 -3.251 1.00 15.13 H new ATOM 0 HG21 ILE A 105 -6.102 3.481 -1.216 1.00 22.15 H new ATOM 0 HG22 ILE A 105 -6.779 4.969 -1.918 1.00 22.15 H new ATOM 0 HG23 ILE A 105 -6.684 3.487 -2.898 1.00 22.15 H new ATOM 0 HD11 ILE A 105 -3.034 1.572 -1.837 1.00 41.04 H new ATOM 0 HD12 ILE A 105 -3.157 3.046 -0.847 1.00 41.04 H new ATOM 0 HD13 ILE A 105 -4.612 2.077 -1.186 1.00 41.04 H new ATOM 1661 N VAL A 106 -6.776 6.854 -4.270 1.00 51.42 N ATOM 1662 CA VAL A 106 -7.601 8.051 -4.035 1.00 74.41 C ATOM 1663 C VAL A 106 -9.055 7.675 -3.704 1.00 3.41 C ATOM 1664 O VAL A 106 -9.423 6.505 -3.740 1.00 74.54 O ATOM 1665 CB VAL A 106 -7.587 9.003 -5.258 1.00 60.24 C ATOM 1666 CG1 VAL A 106 -6.168 9.498 -5.548 1.00 54.22 C ATOM 1667 CG2 VAL A 106 -8.188 8.320 -6.484 1.00 2.24 C ATOM 0 H VAL A 106 -7.134 6.233 -4.995 1.00 51.42 H new ATOM 0 HA VAL A 106 -7.163 8.567 -3.181 1.00 74.41 H new ATOM 0 HB VAL A 106 -8.203 9.870 -5.019 1.00 60.24 H new ATOM 0 HG11 VAL A 106 -6.184 10.164 -6.410 1.00 54.22 H new ATOM 0 HG12 VAL A 106 -5.786 10.036 -4.681 1.00 54.22 H new ATOM 0 HG13 VAL A 106 -5.522 8.646 -5.760 1.00 54.22 H new ATOM 0 HG21 VAL A 106 -8.168 9.007 -7.330 1.00 2.24 H new ATOM 0 HG22 VAL A 106 -7.608 7.430 -6.726 1.00 2.24 H new ATOM 0 HG23 VAL A 106 -9.219 8.035 -6.273 1.00 2.24 H new ATOM 1677 N LEU A 107 -9.877 8.671 -3.376 1.00 14.34 N ATOM 1678 CA LEU A 107 -11.298 8.437 -3.073 1.00 13.31 C ATOM 1679 C LEU A 107 -12.118 8.217 -4.356 1.00 34.23 C ATOM 1680 O LEU A 107 -11.927 8.917 -5.354 1.00 51.13 O ATOM 1681 CB LEU A 107 -11.874 9.613 -2.271 1.00 64.34 C ATOM 1682 CG LEU A 107 -11.303 9.784 -0.853 1.00 62.20 C ATOM 1683 CD1 LEU A 107 -11.838 11.056 -0.203 1.00 74.22 C ATOM 1684 CD2 LEU A 107 -11.625 8.562 0.006 1.00 14.23 C ATOM 0 H LEU A 107 -9.589 9.647 -3.312 1.00 14.34 H new ATOM 0 HA LEU A 107 -11.365 7.530 -2.472 1.00 13.31 H new ATOM 0 HB2 LEU A 107 -11.698 10.533 -2.829 1.00 64.34 H new ATOM 0 HB3 LEU A 107 -12.954 9.487 -2.197 1.00 64.34 H new ATOM 0 HG LEU A 107 -10.219 9.873 -0.930 1.00 62.20 H new ATOM 0 HD11 LEU A 107 -11.421 11.156 0.799 1.00 74.22 H new ATOM 0 HD12 LEU A 107 -11.551 11.920 -0.803 1.00 74.22 H new ATOM 0 HD13 LEU A 107 -12.925 11.003 -0.140 1.00 74.22 H new ATOM 0 HD21 LEU A 107 -11.213 8.701 1.006 1.00 14.23 H new ATOM 0 HD22 LEU A 107 -12.706 8.439 0.073 1.00 14.23 H new ATOM 0 HD23 LEU A 107 -11.186 7.673 -0.447 1.00 14.23 H new ATOM 1696 N THR A 108 -13.032 7.247 -4.318 1.00 52.32 N ATOM 1697 CA THR A 108 -13.869 6.921 -5.481 1.00 1.02 C ATOM 1698 C THR A 108 -14.749 8.107 -5.899 1.00 4.32 C ATOM 1699 O THR A 108 -15.319 8.803 -5.053 1.00 60.43 O ATOM 1700 CB THR A 108 -14.778 5.692 -5.208 1.00 11.52 C ATOM 1701 OG1 THR A 108 -13.978 4.568 -4.809 1.00 4.10 O ATOM 1702 CG2 THR A 108 -15.593 5.312 -6.443 1.00 5.12 C ATOM 0 H THR A 108 -13.214 6.671 -3.496 1.00 52.32 H new ATOM 0 HA THR A 108 -13.181 6.684 -6.292 1.00 1.02 H new ATOM 0 HB THR A 108 -15.467 5.964 -4.408 1.00 11.52 H new ATOM 0 HG1 THR A 108 -14.559 3.798 -4.637 1.00 4.10 H new ATOM 0 HG21 THR A 108 -16.217 4.448 -6.215 1.00 5.12 H new ATOM 0 HG22 THR A 108 -16.226 6.151 -6.734 1.00 5.12 H new ATOM 0 HG23 THR A 108 -14.918 5.066 -7.263 1.00 5.12 H new