USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 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 60 SER OG : rot 128:sc= -0.0496 USER MOD Set 1.2: A 101 LYS NZ :NH3+ 142:sc= 0.00974 (180deg=-0.79) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= -0.0012 (180deg=-0.105) USER MOD Single : A 22 SER OG : rot 170:sc= -0.592 USER MOD Single : A 31 GLN : amide:sc= 0.876 K(o=0.88,f=-0.46) USER MOD Single : A 32 ASN : amide:sc= -0.647 K(o=-0.65,f=-3.5!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.242 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 46 TYR OH : rot 21:sc= -2.61! USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.131) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -164:sc= -0.057 (180deg=-0.384) USER MOD Single : A 58 GLN : amide:sc= 0.349 K(o=0.35,f=-3.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= 2.27 (180deg=0.971) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.13) USER MOD Single : A 80 ASN : amide:sc= -2.59! K(o=-2.6!,f=-1.3) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.353 -0.828 -3.712 1.00 24.03 N ATOM 282 CA LEU A 19 -13.228 -1.065 -2.803 1.00 50.13 C ATOM 283 C LEU A 19 -13.323 -0.149 -1.578 1.00 43.25 C ATOM 284 O LEU A 19 -13.473 1.066 -1.710 1.00 50.25 O ATOM 285 CB LEU A 19 -11.892 -0.832 -3.528 1.00 23.04 C ATOM 286 CG LEU A 19 -11.627 -1.748 -4.734 1.00 15.11 C ATOM 287 CD1 LEU A 19 -10.302 -1.390 -5.406 1.00 31.34 C ATOM 288 CD2 LEU A 19 -11.636 -3.217 -4.312 1.00 63.30 C ATOM 0 HA LEU A 19 -13.273 -2.102 -2.470 1.00 50.13 H new ATOM 0 HB2 LEU A 19 -11.857 0.204 -3.866 1.00 23.04 H new ATOM 0 HB3 LEU A 19 -11.082 -0.961 -2.811 1.00 23.04 H new ATOM 0 HG LEU A 19 -12.429 -1.595 -5.457 1.00 15.11 H new ATOM 0 HD11 LEU A 19 -10.135 -2.051 -6.257 1.00 31.34 H new ATOM 0 HD12 LEU A 19 -10.336 -0.357 -5.751 1.00 31.34 H new ATOM 0 HD13 LEU A 19 -9.488 -1.507 -4.691 1.00 31.34 H new ATOM 0 HD21 LEU A 19 -11.446 -3.846 -5.181 1.00 63.30 H new ATOM 0 HD22 LEU A 19 -10.860 -3.386 -3.566 1.00 63.30 H new ATOM 0 HD23 LEU A 19 -12.608 -3.468 -3.888 1.00 63.30 H new ATOM 300 N LYS A 20 -13.251 -0.730 -0.383 1.00 61.13 N ATOM 301 CA LYS A 20 -13.336 0.056 0.851 1.00 14.52 C ATOM 302 C LYS A 20 -12.005 0.044 1.615 1.00 4.15 C ATOM 303 O LYS A 20 -11.408 -1.018 1.836 1.00 2.02 O ATOM 304 CB LYS A 20 -14.460 -0.474 1.752 1.00 44.41 C ATOM 305 CG LYS A 20 -15.831 -0.503 1.080 1.00 25.31 C ATOM 306 CD LYS A 20 -16.938 -0.902 2.058 1.00 1.14 C ATOM 307 CE LYS A 20 -18.278 -1.096 1.357 1.00 61.41 C ATOM 308 NZ LYS A 20 -18.280 -2.295 0.477 1.00 43.51 N ATOM 0 H LYS A 20 -13.135 -1.733 -0.240 1.00 61.13 H new ATOM 0 HA LYS A 20 -13.559 1.085 0.570 1.00 14.52 H new ATOM 0 HB2 LYS A 20 -14.205 -1.482 2.079 1.00 44.41 H new ATOM 0 HB3 LYS A 20 -14.518 0.146 2.647 1.00 44.41 H new ATOM 0 HG2 LYS A 20 -16.052 0.480 0.663 1.00 25.31 H new ATOM 0 HG3 LYS A 20 -15.812 -1.206 0.247 1.00 25.31 H new ATOM 0 HD2 LYS A 20 -16.658 -1.825 2.566 1.00 1.14 H new ATOM 0 HD3 LYS A 20 -17.038 -0.134 2.825 1.00 1.14 H new ATOM 0 HE2 LYS A 20 -19.066 -1.193 2.103 1.00 61.41 H new ATOM 0 HE3 LYS A 20 -18.508 -0.211 0.764 1.00 61.41 H new ATOM 0 HZ1 LYS A 20 -19.254 -2.507 0.182 1.00 43.51 H new ATOM 0 HZ2 LYS A 20 -17.696 -2.110 -0.363 1.00 43.51 H new ATOM 0 HZ3 LYS A 20 -17.891 -3.108 0.997 1.00 43.51 H new ATOM 322 N PHE A 21 -11.548 1.232 2.007 1.00 31.01 N ATOM 323 CA PHE A 21 -10.314 1.389 2.785 1.00 14.53 C ATOM 324 C PHE A 21 -10.455 0.765 4.184 1.00 2.43 C ATOM 325 O PHE A 21 -11.448 0.995 4.877 1.00 10.32 O ATOM 326 CB PHE A 21 -9.966 2.883 2.902 1.00 44.23 C ATOM 327 CG PHE A 21 -8.677 3.161 3.637 1.00 53.55 C ATOM 328 CD1 PHE A 21 -7.456 3.043 2.988 1.00 41.02 C ATOM 329 CD2 PHE A 21 -8.685 3.544 4.973 1.00 54.01 C ATOM 330 CE1 PHE A 21 -6.273 3.298 3.655 1.00 63.12 C ATOM 331 CE2 PHE A 21 -7.503 3.799 5.643 1.00 11.54 C ATOM 332 CZ PHE A 21 -6.296 3.677 4.983 1.00 51.34 C ATOM 0 H PHE A 21 -12.019 2.112 1.797 1.00 31.01 H new ATOM 0 HA PHE A 21 -9.510 0.867 2.267 1.00 14.53 H new ATOM 0 HB2 PHE A 21 -9.900 3.309 1.901 1.00 44.23 H new ATOM 0 HB3 PHE A 21 -10.781 3.396 3.413 1.00 44.23 H new ATOM 0 HD1 PHE A 21 -7.430 2.748 1.949 1.00 41.02 H new ATOM 0 HD2 PHE A 21 -9.626 3.644 5.494 1.00 54.01 H new ATOM 0 HE1 PHE A 21 -5.330 3.201 3.138 1.00 63.12 H new ATOM 0 HE2 PHE A 21 -7.523 4.093 6.682 1.00 11.54 H new ATOM 0 HZ PHE A 21 -5.372 3.878 5.504 1.00 51.34 H new ATOM 342 N SER A 22 -9.466 -0.028 4.596 1.00 64.30 N ATOM 343 CA SER A 22 -9.507 -0.683 5.915 1.00 70.22 C ATOM 344 C SER A 22 -8.365 -0.204 6.819 1.00 72.52 C ATOM 345 O SER A 22 -8.598 0.420 7.856 1.00 32.34 O ATOM 346 CB SER A 22 -9.418 -2.207 5.750 1.00 1.41 C ATOM 347 OG SER A 22 -10.325 -2.668 4.765 1.00 33.23 O ATOM 0 H SER A 22 -8.632 -0.235 4.046 1.00 64.30 H new ATOM 0 HA SER A 22 -10.453 -0.415 6.386 1.00 70.22 H new ATOM 0 HB2 SER A 22 -8.402 -2.487 5.472 1.00 1.41 H new ATOM 0 HB3 SER A 22 -9.633 -2.692 6.702 1.00 1.41 H new ATOM 0 HG SER A 22 -10.139 -3.609 4.564 1.00 33.23 H new ATOM 353 N ALA A 23 -7.129 -0.499 6.416 1.00 14.33 N ATOM 354 CA ALA A 23 -5.949 -0.138 7.211 1.00 70.44 C ATOM 355 C ALA A 23 -4.670 -0.115 6.360 1.00 1.01 C ATOM 356 O ALA A 23 -4.715 -0.283 5.139 1.00 10.15 O ATOM 357 CB ALA A 23 -5.796 -1.106 8.380 1.00 52.11 C ATOM 0 H ALA A 23 -6.916 -0.986 5.546 1.00 14.33 H new ATOM 0 HA ALA A 23 -6.099 0.871 7.595 1.00 70.44 H new ATOM 0 HB1 ALA A 23 -4.919 -0.833 8.966 1.00 52.11 H new ATOM 0 HB2 ALA A 23 -6.683 -1.058 9.011 1.00 52.11 H new ATOM 0 HB3 ALA A 23 -5.677 -2.120 7.999 1.00 52.11 H new ATOM 363 N LEU A 24 -3.533 0.110 7.015 1.00 25.42 N ATOM 364 CA LEU A 24 -2.224 0.057 6.355 1.00 20.34 C ATOM 365 C LEU A 24 -1.478 -1.230 6.759 1.00 72.40 C ATOM 366 O LEU A 24 -1.005 -1.356 7.892 1.00 43.20 O ATOM 367 CB LEU A 24 -1.396 1.295 6.732 1.00 52.01 C ATOM 368 CG LEU A 24 0.000 1.382 6.091 1.00 14.31 C ATOM 369 CD1 LEU A 24 -0.096 1.514 4.573 1.00 40.12 C ATOM 370 CD2 LEU A 24 0.792 2.544 6.686 1.00 5.24 C ATOM 0 H LEU A 24 -3.489 0.333 8.009 1.00 25.42 H new ATOM 0 HA LEU A 24 -2.371 0.049 5.275 1.00 20.34 H new ATOM 0 HB2 LEU A 24 -1.960 2.185 6.454 1.00 52.01 H new ATOM 0 HB3 LEU A 24 -1.280 1.316 7.816 1.00 52.01 H new ATOM 0 HG LEU A 24 0.529 0.455 6.311 1.00 14.31 H new ATOM 0 HD11 LEU A 24 0.906 1.573 4.149 1.00 40.12 H new ATOM 0 HD12 LEU A 24 -0.612 0.645 4.164 1.00 40.12 H new ATOM 0 HD13 LEU A 24 -0.651 2.418 4.321 1.00 40.12 H new ATOM 0 HD21 LEU A 24 1.776 2.590 6.220 1.00 5.24 H new ATOM 0 HD22 LEU A 24 0.261 3.478 6.503 1.00 5.24 H new ATOM 0 HD23 LEU A 24 0.905 2.395 7.760 1.00 5.24 H new ATOM 382 N ARG A 25 -1.385 -2.177 5.830 1.00 2.35 N ATOM 383 CA ARG A 25 -0.798 -3.492 6.115 1.00 21.40 C ATOM 384 C ARG A 25 0.658 -3.395 6.602 1.00 73.33 C ATOM 385 O ARG A 25 1.000 -3.946 7.652 1.00 3.33 O ATOM 386 CB ARG A 25 -0.870 -4.380 4.865 1.00 71.44 C ATOM 387 CG ARG A 25 -0.241 -5.764 5.036 1.00 55.43 C ATOM 388 CD ARG A 25 -0.913 -6.574 6.143 1.00 42.52 C ATOM 389 NE ARG A 25 -2.355 -6.685 5.946 1.00 11.21 N ATOM 390 CZ ARG A 25 -3.130 -7.527 6.573 1.00 14.20 C ATOM 391 NH1 ARG A 25 -2.640 -8.373 7.420 1.00 23.11 N ATOM 392 NH2 ARG A 25 -4.401 -7.520 6.341 1.00 72.34 N ATOM 0 H ARG A 25 -1.708 -2.062 4.869 1.00 2.35 H new ATOM 0 HA ARG A 25 -1.381 -3.936 6.922 1.00 21.40 H new ATOM 0 HB2 ARG A 25 -1.915 -4.502 4.581 1.00 71.44 H new ATOM 0 HB3 ARG A 25 -0.373 -3.868 4.041 1.00 71.44 H new ATOM 0 HG2 ARG A 25 -0.310 -6.311 4.096 1.00 55.43 H new ATOM 0 HG3 ARG A 25 0.819 -5.653 5.263 1.00 55.43 H new ATOM 0 HD2 ARG A 25 -0.475 -7.571 6.178 1.00 42.52 H new ATOM 0 HD3 ARG A 25 -0.715 -6.104 7.106 1.00 42.52 H new ATOM 0 HE ARG A 25 -2.789 -6.058 5.268 1.00 11.21 H new ATOM 0 HH11 ARG A 25 -1.637 -8.387 7.604 1.00 23.11 H new ATOM 0 HH12 ARG A 25 -3.257 -9.026 7.904 1.00 23.11 H new ATOM 0 HH21 ARG A 25 -4.793 -6.859 5.671 1.00 72.34 H new ATOM 0 HH22 ARG A 25 -5.012 -8.176 6.828 1.00 72.34 H new ATOM 406 N ARG A 26 1.511 -2.703 5.847 1.00 0.14 N ATOM 407 CA ARG A 26 2.947 -2.664 6.163 1.00 41.15 C ATOM 408 C ARG A 26 3.729 -1.706 5.255 1.00 2.01 C ATOM 409 O ARG A 26 3.548 -1.698 4.041 1.00 30.05 O ATOM 410 CB ARG A 26 3.537 -4.081 6.037 1.00 33.44 C ATOM 411 CG ARG A 26 5.050 -4.148 6.199 1.00 2.10 C ATOM 412 CD ARG A 26 5.578 -5.574 6.060 1.00 51.22 C ATOM 413 NE ARG A 26 4.920 -6.498 6.983 1.00 42.44 N ATOM 414 CZ ARG A 26 5.041 -7.799 6.931 1.00 42.14 C ATOM 415 NH1 ARG A 26 5.830 -8.354 6.066 1.00 24.23 N ATOM 416 NH2 ARG A 26 4.391 -8.536 7.770 1.00 31.13 N ATOM 0 H ARG A 26 1.242 -2.167 5.022 1.00 0.14 H new ATOM 0 HA ARG A 26 3.043 -2.294 7.184 1.00 41.15 H new ATOM 0 HB2 ARG A 26 3.074 -4.722 6.787 1.00 33.44 H new ATOM 0 HB3 ARG A 26 3.270 -4.488 5.062 1.00 33.44 H new ATOM 0 HG2 ARG A 26 5.523 -3.512 5.451 1.00 2.10 H new ATOM 0 HG3 ARG A 26 5.328 -3.752 7.176 1.00 2.10 H new ATOM 0 HD2 ARG A 26 5.428 -5.917 5.036 1.00 51.22 H new ATOM 0 HD3 ARG A 26 6.652 -5.582 6.245 1.00 51.22 H new ATOM 0 HE ARG A 26 4.329 -6.102 7.714 1.00 42.44 H new ATOM 0 HH11 ARG A 26 6.364 -7.775 5.418 1.00 24.23 H new ATOM 0 HH12 ARG A 26 5.917 -9.370 6.034 1.00 24.23 H new ATOM 0 HH21 ARG A 26 3.787 -8.102 8.468 1.00 31.13 H new ATOM 0 HH22 ARG A 26 4.482 -9.551 7.734 1.00 31.13 H new ATOM 430 N GLU A 27 4.606 -0.903 5.858 1.00 65.51 N ATOM 431 CA GLU A 27 5.550 -0.075 5.099 1.00 12.12 C ATOM 432 C GLU A 27 6.964 -0.673 5.172 1.00 11.34 C ATOM 433 O GLU A 27 7.626 -0.596 6.208 1.00 3.33 O ATOM 434 CB GLU A 27 5.574 1.358 5.647 1.00 73.04 C ATOM 435 CG GLU A 27 4.209 2.031 5.689 1.00 45.25 C ATOM 436 CD GLU A 27 4.277 3.451 6.230 1.00 12.44 C ATOM 437 OE1 GLU A 27 4.325 3.620 7.466 1.00 11.45 O ATOM 438 OE2 GLU A 27 4.292 4.401 5.420 1.00 62.31 O ATOM 0 H GLU A 27 4.684 -0.807 6.870 1.00 65.51 H new ATOM 0 HA GLU A 27 5.221 -0.053 4.060 1.00 12.12 H new ATOM 0 HB2 GLU A 27 5.991 1.343 6.654 1.00 73.04 H new ATOM 0 HB3 GLU A 27 6.245 1.959 5.033 1.00 73.04 H new ATOM 0 HG2 GLU A 27 3.785 2.048 4.685 1.00 45.25 H new ATOM 0 HG3 GLU A 27 3.535 1.441 6.310 1.00 45.25 H new ATOM 445 N VAL A 28 7.423 -1.278 4.077 1.00 43.41 N ATOM 446 CA VAL A 28 8.753 -1.899 4.046 1.00 64.22 C ATOM 447 C VAL A 28 9.863 -0.847 3.872 1.00 31.42 C ATOM 448 O VAL A 28 9.956 -0.186 2.836 1.00 71.13 O ATOM 449 CB VAL A 28 8.858 -2.975 2.926 1.00 11.41 C ATOM 450 CG1 VAL A 28 7.937 -4.153 3.230 1.00 40.43 C ATOM 451 CG2 VAL A 28 8.533 -2.384 1.554 1.00 72.33 C ATOM 0 H VAL A 28 6.901 -1.353 3.204 1.00 43.41 H new ATOM 0 HA VAL A 28 8.892 -2.391 5.008 1.00 64.22 H new ATOM 0 HB VAL A 28 9.888 -3.331 2.901 1.00 11.41 H new ATOM 0 HG11 VAL A 28 8.023 -4.896 2.437 1.00 40.43 H new ATOM 0 HG12 VAL A 28 8.223 -4.603 4.181 1.00 40.43 H new ATOM 0 HG13 VAL A 28 6.906 -3.803 3.289 1.00 40.43 H new ATOM 0 HG21 VAL A 28 8.615 -3.161 0.794 1.00 72.33 H new ATOM 0 HG22 VAL A 28 7.517 -1.988 1.560 1.00 72.33 H new ATOM 0 HG23 VAL A 28 9.234 -1.580 1.329 1.00 72.33 H new ATOM 461 N ARG A 29 10.688 -0.675 4.902 1.00 0.40 N ATOM 462 CA ARG A 29 11.786 0.298 4.857 1.00 74.55 C ATOM 463 C ARG A 29 13.006 -0.233 4.093 1.00 4.04 C ATOM 464 O ARG A 29 13.157 -1.439 3.887 1.00 13.24 O ATOM 465 CB ARG A 29 12.191 0.723 6.274 1.00 51.42 C ATOM 466 CG ARG A 29 11.223 1.711 6.923 1.00 71.13 C ATOM 467 CD ARG A 29 11.702 2.134 8.305 1.00 20.31 C ATOM 468 NE ARG A 29 10.908 3.230 8.865 1.00 22.40 N ATOM 469 CZ ARG A 29 10.972 3.615 10.111 1.00 53.10 C ATOM 470 NH1 ARG A 29 11.722 2.982 10.957 1.00 43.31 N ATOM 471 NH2 ARG A 29 10.272 4.624 10.513 1.00 50.34 N ATOM 0 H ARG A 29 10.621 -1.194 5.778 1.00 0.40 H new ATOM 0 HA ARG A 29 11.416 1.168 4.314 1.00 74.55 H new ATOM 0 HB2 ARG A 29 12.265 -0.165 6.902 1.00 51.42 H new ATOM 0 HB3 ARG A 29 13.184 1.172 6.239 1.00 51.42 H new ATOM 0 HG2 ARG A 29 11.119 2.591 6.288 1.00 71.13 H new ATOM 0 HG3 ARG A 29 10.236 1.256 7.002 1.00 71.13 H new ATOM 0 HD2 ARG A 29 11.659 1.278 8.978 1.00 20.31 H new ATOM 0 HD3 ARG A 29 12.746 2.440 8.246 1.00 20.31 H new ATOM 0 HE ARG A 29 10.266 3.722 8.244 1.00 22.40 H new ATOM 0 HH11 ARG A 29 12.268 2.177 10.651 1.00 43.31 H new ATOM 0 HH12 ARG A 29 11.766 3.289 11.929 1.00 43.31 H new ATOM 0 HH21 ARG A 29 9.669 5.120 9.857 1.00 50.34 H new ATOM 0 HH22 ARG A 29 10.322 4.924 11.487 1.00 50.34 H new ATOM 485 N ILE A 30 13.877 0.686 3.686 1.00 74.00 N ATOM 486 CA ILE A 30 15.070 0.340 2.911 1.00 62.43 C ATOM 487 C ILE A 30 16.163 -0.263 3.809 1.00 53.41 C ATOM 488 O ILE A 30 16.805 0.444 4.585 1.00 24.25 O ATOM 489 CB ILE A 30 15.641 1.585 2.180 1.00 3.50 C ATOM 490 CG1 ILE A 30 14.525 2.299 1.396 1.00 54.40 C ATOM 491 CG2 ILE A 30 16.783 1.181 1.244 1.00 15.12 C ATOM 492 CD1 ILE A 30 14.957 3.610 0.771 1.00 71.00 C ATOM 0 H ILE A 30 13.780 1.683 3.880 1.00 74.00 H new ATOM 0 HA ILE A 30 14.767 -0.402 2.173 1.00 62.43 H new ATOM 0 HB ILE A 30 16.038 2.275 2.925 1.00 3.50 H new ATOM 0 HG12 ILE A 30 14.164 1.635 0.611 1.00 54.40 H new ATOM 0 HG13 ILE A 30 13.686 2.486 2.066 1.00 54.40 H new ATOM 0 HG21 ILE A 30 17.171 2.066 0.740 1.00 15.12 H new ATOM 0 HG22 ILE A 30 17.580 0.714 1.823 1.00 15.12 H new ATOM 0 HG23 ILE A 30 16.412 0.474 0.502 1.00 15.12 H new ATOM 0 HD11 ILE A 30 14.117 4.053 0.236 1.00 71.00 H new ATOM 0 HD12 ILE A 30 15.290 4.293 1.552 1.00 71.00 H new ATOM 0 HD13 ILE A 30 15.775 3.429 0.074 1.00 71.00 H new ATOM 504 N GLN A 31 16.354 -1.573 3.721 1.00 12.43 N ATOM 505 CA GLN A 31 17.403 -2.248 4.490 1.00 44.24 C ATOM 506 C GLN A 31 18.785 -2.038 3.850 1.00 52.53 C ATOM 507 O GLN A 31 19.010 -2.406 2.698 1.00 64.15 O ATOM 508 CB GLN A 31 17.098 -3.747 4.610 1.00 50.34 C ATOM 509 CG GLN A 31 18.156 -4.525 5.391 1.00 41.21 C ATOM 510 CD GLN A 31 17.808 -5.995 5.556 1.00 3.43 C ATOM 511 OE1 GLN A 31 17.137 -6.590 4.721 1.00 72.44 O ATOM 512 NE2 GLN A 31 18.269 -6.591 6.632 1.00 51.12 N ATOM 0 H GLN A 31 15.801 -2.192 3.128 1.00 12.43 H new ATOM 0 HA GLN A 31 17.421 -1.809 5.488 1.00 44.24 H new ATOM 0 HB2 GLN A 31 16.131 -3.875 5.097 1.00 50.34 H new ATOM 0 HB3 GLN A 31 17.010 -4.173 3.610 1.00 50.34 H new ATOM 0 HG2 GLN A 31 19.114 -4.439 4.879 1.00 41.21 H new ATOM 0 HG3 GLN A 31 18.279 -4.073 6.375 1.00 41.21 H new ATOM 0 HE21 GLN A 31 18.825 -6.066 7.307 1.00 51.12 H new ATOM 0 HE22 GLN A 31 18.071 -7.579 6.792 1.00 51.12 H new ATOM 521 N ASN A 32 19.709 -1.453 4.608 1.00 30.32 N ATOM 522 CA ASN A 32 21.064 -1.192 4.116 1.00 31.40 C ATOM 523 C ASN A 32 21.828 -2.497 3.846 1.00 74.11 C ATOM 524 O ASN A 32 21.638 -3.500 4.542 1.00 24.04 O ATOM 525 CB ASN A 32 21.833 -0.331 5.125 1.00 24.32 C ATOM 526 CG ASN A 32 21.191 1.032 5.323 1.00 30.34 C ATOM 527 OD1 ASN A 32 20.594 1.585 4.406 1.00 64.04 O ATOM 528 ND2 ASN A 32 21.297 1.582 6.515 1.00 22.22 N ATOM 0 H ASN A 32 19.546 -1.149 5.568 1.00 30.32 H new ATOM 0 HA ASN A 32 20.979 -0.654 3.172 1.00 31.40 H new ATOM 0 HB2 ASN A 32 21.881 -0.851 6.082 1.00 24.32 H new ATOM 0 HB3 ASN A 32 22.859 -0.201 4.782 1.00 24.32 H new ATOM 0 HD21 ASN A 32 20.876 2.493 6.695 1.00 22.22 H new ATOM 0 HD22 ASN A 32 21.800 1.097 7.258 1.00 22.22 H new ATOM 535 N GLU A 33 22.702 -2.468 2.840 1.00 74.20 N ATOM 536 CA GLU A 33 23.486 -3.649 2.450 1.00 21.43 C ATOM 537 C GLU A 33 24.429 -4.097 3.580 1.00 63.41 C ATOM 538 O GLU A 33 24.984 -5.198 3.547 1.00 24.11 O ATOM 539 CB GLU A 33 24.283 -3.352 1.172 1.00 2.32 C ATOM 540 CG GLU A 33 23.413 -2.873 0.009 1.00 32.51 C ATOM 541 CD GLU A 33 24.197 -2.654 -1.276 1.00 24.52 C ATOM 542 OE1 GLU A 33 24.983 -1.687 -1.343 1.00 2.11 O ATOM 543 OE2 GLU A 33 24.023 -3.439 -2.232 1.00 4.54 O ATOM 0 H GLU A 33 22.888 -1.639 2.276 1.00 74.20 H new ATOM 0 HA GLU A 33 22.792 -4.467 2.256 1.00 21.43 H new ATOM 0 HB2 GLU A 33 25.035 -2.593 1.390 1.00 2.32 H new ATOM 0 HB3 GLU A 33 24.818 -4.252 0.869 1.00 2.32 H new ATOM 0 HG2 GLU A 33 22.626 -3.605 -0.173 1.00 32.51 H new ATOM 0 HG3 GLU A 33 22.922 -1.941 0.291 1.00 32.51 H new ATOM 550 N ASP A 34 24.613 -3.232 4.573 1.00 74.32 N ATOM 551 CA ASP A 34 25.402 -3.560 5.764 1.00 61.40 C ATOM 552 C ASP A 34 24.653 -4.548 6.678 1.00 54.52 C ATOM 553 O ASP A 34 25.262 -5.265 7.472 1.00 20.11 O ATOM 554 CB ASP A 34 25.716 -2.277 6.537 1.00 64.54 C ATOM 555 CG ASP A 34 26.304 -1.207 5.641 1.00 10.44 C ATOM 556 OD1 ASP A 34 25.526 -0.440 5.038 1.00 72.31 O ATOM 557 OD2 ASP A 34 27.542 -1.130 5.529 1.00 1.31 O ATOM 0 H ASP A 34 24.224 -2.289 4.579 1.00 74.32 H new ATOM 0 HA ASP A 34 26.328 -4.035 5.441 1.00 61.40 H new ATOM 0 HB2 ASP A 34 24.804 -1.901 7.002 1.00 64.54 H new ATOM 0 HB3 ASP A 34 26.415 -2.501 7.343 1.00 64.54 H new ATOM 562 N GLY A 35 23.326 -4.567 6.566 1.00 21.04 N ATOM 563 CA GLY A 35 22.504 -5.452 7.389 1.00 24.14 C ATOM 564 C GLY A 35 21.383 -4.716 8.119 1.00 72.21 C ATOM 565 O GLY A 35 20.246 -5.189 8.175 1.00 53.40 O ATOM 0 H GLY A 35 22.799 -3.983 5.917 1.00 21.04 H new ATOM 0 HA2 GLY A 35 22.071 -6.228 6.758 1.00 24.14 H new ATOM 0 HA3 GLY A 35 23.139 -5.953 8.120 1.00 24.14 H new ATOM 569 N SER A 36 21.708 -3.552 8.673 1.00 21.02 N ATOM 570 CA SER A 36 20.743 -2.747 9.437 1.00 33.21 C ATOM 571 C SER A 36 19.727 -2.043 8.518 1.00 73.12 C ATOM 572 O SER A 36 19.967 -1.865 7.322 1.00 25.12 O ATOM 573 CB SER A 36 21.487 -1.705 10.287 1.00 62.41 C ATOM 574 OG SER A 36 22.472 -2.317 11.112 1.00 13.34 O ATOM 0 H SER A 36 22.638 -3.137 8.610 1.00 21.02 H new ATOM 0 HA SER A 36 20.189 -3.425 10.086 1.00 33.21 H new ATOM 0 HB2 SER A 36 21.961 -0.972 9.634 1.00 62.41 H new ATOM 0 HB3 SER A 36 20.774 -1.164 10.909 1.00 62.41 H new ATOM 0 HG SER A 36 22.930 -1.630 11.640 1.00 13.34 H new ATOM 580 N VAL A 37 18.592 -1.642 9.087 1.00 55.33 N ATOM 581 CA VAL A 37 17.525 -0.978 8.326 1.00 42.22 C ATOM 582 C VAL A 37 17.670 0.555 8.369 1.00 13.24 C ATOM 583 O VAL A 37 17.951 1.136 9.422 1.00 21.52 O ATOM 584 CB VAL A 37 16.128 -1.373 8.873 1.00 40.14 C ATOM 585 CG1 VAL A 37 15.013 -0.732 8.047 1.00 13.33 C ATOM 586 CG2 VAL A 37 15.972 -2.894 8.906 1.00 44.22 C ATOM 0 H VAL A 37 18.383 -1.764 10.078 1.00 55.33 H new ATOM 0 HA VAL A 37 17.617 -1.310 7.292 1.00 42.22 H new ATOM 0 HB VAL A 37 16.047 -0.998 9.893 1.00 40.14 H new ATOM 0 HG11 VAL A 37 14.045 -1.026 8.453 1.00 13.33 H new ATOM 0 HG12 VAL A 37 15.109 0.353 8.086 1.00 13.33 H new ATOM 0 HG13 VAL A 37 15.089 -1.066 7.012 1.00 13.33 H new ATOM 0 HG21 VAL A 37 14.986 -3.150 9.293 1.00 44.22 H new ATOM 0 HG22 VAL A 37 16.081 -3.293 7.898 1.00 44.22 H new ATOM 0 HG23 VAL A 37 16.738 -3.324 9.551 1.00 44.22 H new ATOM 596 N SER A 38 17.473 1.205 7.222 1.00 42.10 N ATOM 597 CA SER A 38 17.576 2.672 7.127 1.00 54.13 C ATOM 598 C SER A 38 16.306 3.370 7.640 1.00 2.02 C ATOM 599 O SER A 38 15.345 2.724 8.066 1.00 3.12 O ATOM 600 CB SER A 38 17.845 3.104 5.676 1.00 73.34 C ATOM 601 OG SER A 38 17.932 4.519 5.565 1.00 13.40 O ATOM 0 H SER A 38 17.241 0.744 6.342 1.00 42.10 H new ATOM 0 HA SER A 38 18.411 2.974 7.759 1.00 54.13 H new ATOM 0 HB2 SER A 38 18.773 2.652 5.326 1.00 73.34 H new ATOM 0 HB3 SER A 38 17.048 2.735 5.031 1.00 73.34 H new ATOM 0 HG SER A 38 18.105 4.764 4.632 1.00 13.40 H new ATOM 607 N ASP A 39 16.313 4.698 7.598 1.00 43.12 N ATOM 608 CA ASP A 39 15.182 5.505 8.058 1.00 1.34 C ATOM 609 C ASP A 39 14.058 5.532 7.004 1.00 12.43 C ATOM 610 O ASP A 39 12.880 5.358 7.326 1.00 54.10 O ATOM 611 CB ASP A 39 15.666 6.932 8.358 1.00 74.21 C ATOM 612 CG ASP A 39 14.640 7.767 9.108 1.00 53.31 C ATOM 613 OD1 ASP A 39 13.659 8.218 8.487 1.00 40.13 O ATOM 614 OD2 ASP A 39 14.824 7.997 10.323 1.00 70.41 O ATOM 0 H ASP A 39 17.098 5.246 7.246 1.00 43.12 H new ATOM 0 HA ASP A 39 14.777 5.058 8.966 1.00 1.34 H new ATOM 0 HB2 ASP A 39 16.583 6.882 8.945 1.00 74.21 H new ATOM 0 HB3 ASP A 39 15.914 7.429 7.420 1.00 74.21 H new ATOM 619 N GLU A 40 14.441 5.734 5.743 1.00 51.43 N ATOM 620 CA GLU A 40 13.480 5.904 4.643 1.00 21.30 C ATOM 621 C GLU A 40 12.773 4.595 4.246 1.00 43.51 C ATOM 622 O GLU A 40 13.277 3.492 4.480 1.00 40.33 O ATOM 623 CB GLU A 40 14.183 6.515 3.424 1.00 51.25 C ATOM 624 CG GLU A 40 14.591 7.972 3.620 1.00 62.52 C ATOM 625 CD GLU A 40 13.396 8.872 3.908 1.00 62.23 C ATOM 626 OE1 GLU A 40 12.477 8.930 3.066 1.00 41.33 O ATOM 627 OE2 GLU A 40 13.357 9.514 4.980 1.00 33.21 O ATOM 0 H GLU A 40 15.417 5.785 5.452 1.00 51.43 H new ATOM 0 HA GLU A 40 12.704 6.579 5.005 1.00 21.30 H new ATOM 0 HB2 GLU A 40 15.071 5.926 3.194 1.00 51.25 H new ATOM 0 HB3 GLU A 40 13.521 6.445 2.561 1.00 51.25 H new ATOM 0 HG2 GLU A 40 15.302 8.041 4.444 1.00 62.52 H new ATOM 0 HG3 GLU A 40 15.104 8.327 2.726 1.00 62.52 H new ATOM 634 N ILE A 41 11.605 4.742 3.619 1.00 11.21 N ATOM 635 CA ILE A 41 10.766 3.604 3.231 1.00 53.33 C ATOM 636 C ILE A 41 10.856 3.319 1.719 1.00 14.10 C ATOM 637 O ILE A 41 11.124 4.220 0.921 1.00 52.23 O ATOM 638 CB ILE A 41 9.283 3.858 3.621 1.00 0.40 C ATOM 639 CG1 ILE A 41 9.188 4.299 5.092 1.00 30.31 C ATOM 640 CG2 ILE A 41 8.432 2.608 3.380 1.00 4.13 C ATOM 641 CD1 ILE A 41 7.778 4.593 5.558 1.00 23.22 C ATOM 0 H ILE A 41 11.214 5.649 3.366 1.00 11.21 H new ATOM 0 HA ILE A 41 11.140 2.732 3.769 1.00 53.33 H new ATOM 0 HB ILE A 41 8.895 4.657 2.989 1.00 0.40 H new ATOM 0 HG12 ILE A 41 9.612 3.518 5.723 1.00 30.31 H new ATOM 0 HG13 ILE A 41 9.799 5.190 5.233 1.00 30.31 H new ATOM 0 HG21 ILE A 41 7.399 2.812 3.661 1.00 4.13 H new ATOM 0 HG22 ILE A 41 8.475 2.337 2.325 1.00 4.13 H new ATOM 0 HG23 ILE A 41 8.816 1.785 3.982 1.00 4.13 H new ATOM 0 HD11 ILE A 41 7.797 4.897 6.605 1.00 23.22 H new ATOM 0 HD12 ILE A 41 7.355 5.396 4.954 1.00 23.22 H new ATOM 0 HD13 ILE A 41 7.165 3.698 5.451 1.00 23.22 H new ATOM 653 N LYS A 42 10.639 2.062 1.330 1.00 60.23 N ATOM 654 CA LYS A 42 10.653 1.673 -0.087 1.00 0.42 C ATOM 655 C LYS A 42 9.242 1.749 -0.701 1.00 4.31 C ATOM 656 O LYS A 42 9.009 2.473 -1.671 1.00 23.11 O ATOM 657 CB LYS A 42 11.218 0.251 -0.233 1.00 51.13 C ATOM 658 CG LYS A 42 11.509 -0.159 -1.677 1.00 65.14 C ATOM 659 CD LYS A 42 12.585 0.727 -2.304 1.00 73.53 C ATOM 660 CE LYS A 42 12.913 0.305 -3.732 1.00 54.43 C ATOM 661 NZ LYS A 42 13.954 1.171 -4.347 1.00 64.24 N ATOM 0 H LYS A 42 10.451 1.293 1.974 1.00 60.23 H new ATOM 0 HA LYS A 42 11.292 2.373 -0.626 1.00 0.42 H new ATOM 0 HB2 LYS A 42 12.138 0.175 0.347 1.00 51.13 H new ATOM 0 HB3 LYS A 42 10.510 -0.456 0.199 1.00 51.13 H new ATOM 0 HG2 LYS A 42 11.832 -1.200 -1.703 1.00 65.14 H new ATOM 0 HG3 LYS A 42 10.594 -0.095 -2.266 1.00 65.14 H new ATOM 0 HD2 LYS A 42 12.248 1.764 -2.301 1.00 73.53 H new ATOM 0 HD3 LYS A 42 13.489 0.684 -1.697 1.00 73.53 H new ATOM 0 HE2 LYS A 42 13.256 -0.730 -3.734 1.00 54.43 H new ATOM 0 HE3 LYS A 42 12.007 0.342 -4.337 1.00 54.43 H new ATOM 0 HZ1 LYS A 42 14.146 0.848 -5.317 1.00 64.24 H new ATOM 0 HZ2 LYS A 42 13.618 2.155 -4.370 1.00 64.24 H new ATOM 0 HZ3 LYS A 42 14.827 1.116 -3.785 1.00 64.24 H new ATOM 675 N GLU A 43 8.298 1.002 -0.125 1.00 24.13 N ATOM 676 CA GLU A 43 6.894 1.046 -0.564 1.00 65.11 C ATOM 677 C GLU A 43 5.938 0.649 0.581 1.00 34.32 C ATOM 678 O GLU A 43 6.352 0.033 1.567 1.00 53.13 O ATOM 679 CB GLU A 43 6.676 0.155 -1.805 1.00 61.22 C ATOM 680 CG GLU A 43 6.980 -1.327 -1.600 1.00 42.22 C ATOM 681 CD GLU A 43 6.889 -2.125 -2.900 1.00 61.01 C ATOM 682 OE1 GLU A 43 5.769 -2.507 -3.303 1.00 64.02 O ATOM 683 OE2 GLU A 43 7.939 -2.364 -3.537 1.00 1.30 O ATOM 0 H GLU A 43 8.476 0.359 0.646 1.00 24.13 H new ATOM 0 HA GLU A 43 6.664 2.074 -0.845 1.00 65.11 H new ATOM 0 HB2 GLU A 43 5.640 0.256 -2.128 1.00 61.22 H new ATOM 0 HB3 GLU A 43 7.301 0.529 -2.616 1.00 61.22 H new ATOM 0 HG2 GLU A 43 7.980 -1.435 -1.179 1.00 42.22 H new ATOM 0 HG3 GLU A 43 6.282 -1.741 -0.873 1.00 42.22 H new ATOM 690 N ARG A 44 4.665 1.022 0.451 1.00 22.14 N ATOM 691 CA ARG A 44 3.677 0.816 1.525 1.00 30.40 C ATOM 692 C ARG A 44 2.435 0.041 1.045 1.00 42.43 C ATOM 693 O ARG A 44 1.784 0.420 0.073 1.00 32.45 O ATOM 694 CB ARG A 44 3.271 2.173 2.128 1.00 45.00 C ATOM 695 CG ARG A 44 2.953 3.250 1.092 1.00 43.51 C ATOM 696 CD ARG A 44 2.563 4.575 1.746 1.00 51.42 C ATOM 697 NE ARG A 44 3.532 4.994 2.758 1.00 31.34 N ATOM 698 CZ ARG A 44 4.334 6.017 2.644 1.00 41.41 C ATOM 699 NH1 ARG A 44 4.319 6.767 1.585 1.00 1.51 N ATOM 700 NH2 ARG A 44 5.145 6.291 3.608 1.00 54.30 N ATOM 0 H ARG A 44 4.288 1.469 -0.385 1.00 22.14 H new ATOM 0 HA ARG A 44 4.150 0.203 2.292 1.00 30.40 H new ATOM 0 HB2 ARG A 44 2.398 2.028 2.764 1.00 45.00 H new ATOM 0 HB3 ARG A 44 4.078 2.529 2.769 1.00 45.00 H new ATOM 0 HG2 ARG A 44 3.821 3.404 0.451 1.00 43.51 H new ATOM 0 HG3 ARG A 44 2.140 2.908 0.452 1.00 43.51 H new ATOM 0 HD2 ARG A 44 2.482 5.347 0.981 1.00 51.42 H new ATOM 0 HD3 ARG A 44 1.579 4.477 2.205 1.00 51.42 H new ATOM 0 HE ARG A 44 3.585 4.446 3.617 1.00 31.34 H new ATOM 0 HH11 ARG A 44 3.673 6.561 0.823 1.00 1.51 H new ATOM 0 HH12 ARG A 44 4.954 7.562 1.514 1.00 1.51 H new ATOM 0 HH21 ARG A 44 5.154 5.711 4.447 1.00 54.30 H new ATOM 0 HH22 ARG A 44 5.777 7.088 3.532 1.00 54.30 H new ATOM 714 N THR A 45 2.118 -1.044 1.756 1.00 51.24 N ATOM 715 CA THR A 45 0.987 -1.921 1.422 1.00 1.40 C ATOM 716 C THR A 45 -0.272 -1.575 2.239 1.00 1.33 C ATOM 717 O THR A 45 -0.218 -1.480 3.465 1.00 62.21 O ATOM 718 CB THR A 45 1.360 -3.406 1.682 1.00 14.50 C ATOM 719 OG1 THR A 45 2.500 -3.772 0.891 1.00 65.32 O ATOM 720 CG2 THR A 45 0.196 -4.343 1.361 1.00 34.43 C ATOM 0 H THR A 45 2.638 -1.342 2.582 1.00 51.24 H new ATOM 0 HA THR A 45 0.767 -1.767 0.366 1.00 1.40 H new ATOM 0 HB THR A 45 1.597 -3.506 2.741 1.00 14.50 H new ATOM 0 HG1 THR A 45 2.730 -4.709 1.062 1.00 65.32 H new ATOM 0 HG21 THR A 45 0.494 -5.373 1.555 1.00 34.43 H new ATOM 0 HG22 THR A 45 -0.659 -4.089 1.987 1.00 34.43 H new ATOM 0 HG23 THR A 45 -0.078 -4.236 0.311 1.00 34.43 H new ATOM 728 N TYR A 46 -1.405 -1.400 1.550 1.00 61.32 N ATOM 729 CA TYR A 46 -2.691 -1.079 2.196 1.00 51.31 C ATOM 730 C TYR A 46 -3.667 -2.273 2.173 1.00 52.33 C ATOM 731 O TYR A 46 -3.502 -3.219 1.399 1.00 61.32 O ATOM 732 CB TYR A 46 -3.356 0.115 1.495 1.00 52.11 C ATOM 733 CG TYR A 46 -2.615 1.430 1.652 1.00 3.00 C ATOM 734 CD1 TYR A 46 -1.489 1.718 0.888 1.00 62.53 C ATOM 735 CD2 TYR A 46 -3.053 2.390 2.557 1.00 1.40 C ATOM 736 CE1 TYR A 46 -0.825 2.921 1.021 1.00 41.13 C ATOM 737 CE2 TYR A 46 -2.398 3.598 2.691 1.00 71.30 C ATOM 738 CZ TYR A 46 -1.284 3.859 1.922 1.00 1.23 C ATOM 739 OH TYR A 46 -0.631 5.062 2.046 1.00 52.35 O ATOM 0 H TYR A 46 -1.461 -1.475 0.534 1.00 61.32 H new ATOM 0 HA TYR A 46 -2.470 -0.834 3.235 1.00 51.31 H new ATOM 0 HB2 TYR A 46 -3.450 -0.110 0.433 1.00 52.11 H new ATOM 0 HB3 TYR A 46 -4.366 0.233 1.886 1.00 52.11 H new ATOM 0 HD1 TYR A 46 -1.128 0.988 0.179 1.00 62.53 H new ATOM 0 HD2 TYR A 46 -3.921 2.187 3.166 1.00 1.40 H new ATOM 0 HE1 TYR A 46 0.050 3.127 0.422 1.00 41.13 H new ATOM 0 HE2 TYR A 46 -2.757 4.335 3.395 1.00 71.30 H new ATOM 0 HH TYR A 46 -0.105 5.233 1.237 1.00 52.35 H new ATOM 749 N ASP A 47 -4.700 -2.191 3.019 1.00 44.34 N ATOM 750 CA ASP A 47 -5.750 -3.217 3.104 1.00 53.14 C ATOM 751 C ASP A 47 -7.073 -2.724 2.482 1.00 73.52 C ATOM 752 O ASP A 47 -7.755 -1.863 3.050 1.00 72.35 O ATOM 753 CB ASP A 47 -5.982 -3.594 4.574 1.00 40.30 C ATOM 754 CG ASP A 47 -4.810 -4.347 5.173 1.00 51.20 C ATOM 755 OD1 ASP A 47 -4.383 -5.352 4.575 1.00 32.04 O ATOM 756 OD2 ASP A 47 -4.307 -3.936 6.240 1.00 73.02 O ATOM 0 H ASP A 47 -4.833 -1.413 3.665 1.00 44.34 H new ATOM 0 HA ASP A 47 -5.417 -4.090 2.542 1.00 53.14 H new ATOM 0 HB2 ASP A 47 -6.162 -2.689 5.154 1.00 40.30 H new ATOM 0 HB3 ASP A 47 -6.881 -4.206 4.651 1.00 40.30 H new ATOM 761 N LEU A 48 -7.436 -3.268 1.316 1.00 24.40 N ATOM 762 CA LEU A 48 -8.688 -2.888 0.637 1.00 32.11 C ATOM 763 C LEU A 48 -9.581 -4.120 0.402 1.00 34.33 C ATOM 764 O LEU A 48 -9.136 -5.107 -0.182 1.00 74.41 O ATOM 765 CB LEU A 48 -8.373 -2.212 -0.710 1.00 14.24 C ATOM 766 CG LEU A 48 -7.397 -1.022 -0.648 1.00 13.11 C ATOM 767 CD1 LEU A 48 -7.196 -0.419 -2.033 1.00 64.22 C ATOM 768 CD2 LEU A 48 -7.890 0.039 0.334 1.00 53.30 C ATOM 0 H LEU A 48 -6.886 -3.970 0.821 1.00 24.40 H new ATOM 0 HA LEU A 48 -9.224 -2.188 1.278 1.00 32.11 H new ATOM 0 HB2 LEU A 48 -7.960 -2.962 -1.384 1.00 14.24 H new ATOM 0 HB3 LEU A 48 -9.309 -1.868 -1.151 1.00 14.24 H new ATOM 0 HG LEU A 48 -6.436 -1.392 -0.291 1.00 13.11 H new ATOM 0 HD11 LEU A 48 -6.503 0.420 -1.967 1.00 64.22 H new ATOM 0 HD12 LEU A 48 -6.788 -1.175 -2.703 1.00 64.22 H new ATOM 0 HD13 LEU A 48 -8.153 -0.070 -2.420 1.00 64.22 H new ATOM 0 HD21 LEU A 48 -7.183 0.868 0.359 1.00 53.30 H new ATOM 0 HD22 LEU A 48 -8.866 0.404 0.015 1.00 53.30 H new ATOM 0 HD23 LEU A 48 -7.973 -0.397 1.330 1.00 53.30 H new ATOM 780 N LYS A 49 -10.838 -4.075 0.855 1.00 13.23 N ATOM 781 CA LYS A 49 -11.756 -5.213 0.647 1.00 23.44 C ATOM 782 C LYS A 49 -12.613 -5.039 -0.619 1.00 53.02 C ATOM 783 O LYS A 49 -13.177 -3.966 -0.865 1.00 60.23 O ATOM 784 CB LYS A 49 -12.669 -5.458 1.868 1.00 70.44 C ATOM 785 CG LYS A 49 -13.609 -4.305 2.223 1.00 21.24 C ATOM 786 CD LYS A 49 -13.047 -3.419 3.332 1.00 32.21 C ATOM 787 CE LYS A 49 -12.884 -4.179 4.649 1.00 2.32 C ATOM 788 NZ LYS A 49 -14.181 -4.688 5.175 1.00 55.15 N ATOM 0 H LYS A 49 -11.242 -3.285 1.358 1.00 13.23 H new ATOM 0 HA LYS A 49 -11.120 -6.088 0.516 1.00 23.44 H new ATOM 0 HB2 LYS A 49 -13.268 -6.349 1.680 1.00 70.44 H new ATOM 0 HB3 LYS A 49 -12.041 -5.673 2.733 1.00 70.44 H new ATOM 0 HG2 LYS A 49 -13.790 -3.700 1.334 1.00 21.24 H new ATOM 0 HG3 LYS A 49 -14.572 -4.708 2.536 1.00 21.24 H new ATOM 0 HD2 LYS A 49 -12.081 -3.020 3.022 1.00 32.21 H new ATOM 0 HD3 LYS A 49 -13.709 -2.567 3.485 1.00 32.21 H new ATOM 0 HE2 LYS A 49 -12.202 -5.016 4.500 1.00 2.32 H new ATOM 0 HE3 LYS A 49 -12.427 -3.523 5.390 1.00 2.32 H new ATOM 0 HZ1 LYS A 49 -14.047 -5.044 6.143 1.00 55.15 H new ATOM 0 HZ2 LYS A 49 -14.879 -3.917 5.183 1.00 55.15 H new ATOM 0 HZ3 LYS A 49 -14.524 -5.459 4.567 1.00 55.15 H new ATOM 802 N SER A 50 -12.715 -6.107 -1.411 1.00 63.13 N ATOM 803 CA SER A 50 -13.478 -6.088 -2.670 1.00 54.32 C ATOM 804 C SER A 50 -14.856 -6.743 -2.501 1.00 71.05 C ATOM 805 O SER A 50 -14.954 -7.931 -2.183 1.00 61.32 O ATOM 806 CB SER A 50 -12.696 -6.814 -3.772 1.00 51.03 C ATOM 807 OG SER A 50 -13.408 -6.818 -5.002 1.00 12.34 O ATOM 0 H SER A 50 -12.277 -7.005 -1.205 1.00 63.13 H new ATOM 0 HA SER A 50 -13.627 -5.046 -2.952 1.00 54.32 H new ATOM 0 HB2 SER A 50 -11.729 -6.330 -3.912 1.00 51.03 H new ATOM 0 HB3 SER A 50 -12.497 -7.840 -3.462 1.00 51.03 H new ATOM 0 HG SER A 50 -12.882 -7.287 -5.683 1.00 12.34 H new ATOM 866 N ARG A 55 -12.944 -11.424 -0.165 1.00 42.03 N ATOM 867 CA ARG A 55 -11.533 -11.354 0.236 1.00 73.12 C ATOM 868 C ARG A 55 -10.938 -9.956 0.002 1.00 0.24 C ATOM 869 O ARG A 55 -11.465 -9.159 -0.782 1.00 62.05 O ATOM 870 CB ARG A 55 -10.703 -12.418 -0.503 1.00 34.14 C ATOM 871 CG ARG A 55 -10.725 -12.306 -2.030 1.00 21.03 C ATOM 872 CD ARG A 55 -9.817 -13.352 -2.677 1.00 70.22 C ATOM 873 NE ARG A 55 -9.867 -13.331 -4.141 1.00 12.23 N ATOM 874 CZ ARG A 55 -9.122 -14.088 -4.908 1.00 22.44 C ATOM 875 NH1 ARG A 55 -8.213 -14.858 -4.398 1.00 22.41 N ATOM 876 NH2 ARG A 55 -9.266 -14.052 -6.189 1.00 2.34 N ATOM 0 HA ARG A 55 -11.492 -11.555 1.307 1.00 73.12 H new ATOM 0 HB2 ARG A 55 -9.669 -12.352 -0.163 1.00 34.14 H new ATOM 0 HB3 ARG A 55 -11.069 -13.405 -0.220 1.00 34.14 H new ATOM 0 HG2 ARG A 55 -11.745 -12.434 -2.391 1.00 21.03 H new ATOM 0 HG3 ARG A 55 -10.404 -11.308 -2.328 1.00 21.03 H new ATOM 0 HD2 ARG A 55 -8.790 -13.184 -2.352 1.00 70.22 H new ATOM 0 HD3 ARG A 55 -10.105 -14.342 -2.324 1.00 70.22 H new ATOM 0 HE ARG A 55 -10.520 -12.689 -4.590 1.00 12.23 H new ATOM 0 HH11 ARG A 55 -8.071 -14.880 -3.388 1.00 22.41 H new ATOM 0 HH12 ARG A 55 -7.640 -15.442 -5.006 1.00 22.41 H new ATOM 0 HH21 ARG A 55 -9.961 -13.433 -6.607 1.00 2.34 H new ATOM 0 HH22 ARG A 55 -8.685 -14.642 -6.784 1.00 2.34 H new ATOM 890 N MET A 56 -9.833 -9.675 0.684 1.00 35.10 N ATOM 891 CA MET A 56 -9.172 -8.371 0.598 1.00 33.23 C ATOM 892 C MET A 56 -7.934 -8.430 -0.307 1.00 33.11 C ATOM 893 O MET A 56 -7.251 -9.453 -0.388 1.00 70.14 O ATOM 894 CB MET A 56 -8.769 -7.886 2.001 1.00 3.22 C ATOM 895 CG MET A 56 -7.717 -8.755 2.690 1.00 21.51 C ATOM 896 SD MET A 56 -8.246 -10.467 2.914 1.00 72.31 S ATOM 897 CE MET A 56 -9.660 -10.257 3.998 1.00 41.42 C ATOM 0 H MET A 56 -9.371 -10.336 1.308 1.00 35.10 H new ATOM 0 HA MET A 56 -9.880 -7.667 0.161 1.00 33.23 H new ATOM 0 HB2 MET A 56 -8.388 -6.867 1.925 1.00 3.22 H new ATOM 0 HB3 MET A 56 -9.659 -7.848 2.629 1.00 3.22 H new ATOM 0 HG2 MET A 56 -6.800 -8.739 2.102 1.00 21.51 H new ATOM 0 HG3 MET A 56 -7.480 -8.324 3.663 1.00 21.51 H new ATOM 0 HE1 MET A 56 -9.917 -11.215 4.450 1.00 41.42 H new ATOM 0 HE2 MET A 56 -9.414 -9.540 4.782 1.00 41.42 H new ATOM 0 HE3 MET A 56 -10.509 -9.888 3.422 1.00 41.42 H new ATOM 907 N ILE A 57 -7.652 -7.326 -0.986 1.00 23.15 N ATOM 908 CA ILE A 57 -6.467 -7.217 -1.839 1.00 73.32 C ATOM 909 C ILE A 57 -5.372 -6.384 -1.157 1.00 34.02 C ATOM 910 O ILE A 57 -5.652 -5.357 -0.523 1.00 14.12 O ATOM 911 CB ILE A 57 -6.813 -6.598 -3.218 1.00 41.14 C ATOM 912 CG1 ILE A 57 -7.439 -5.201 -3.055 1.00 1.15 C ATOM 913 CG2 ILE A 57 -7.749 -7.523 -3.995 1.00 73.25 C ATOM 914 CD1 ILE A 57 -7.795 -4.528 -4.367 1.00 11.52 C ATOM 0 H ILE A 57 -8.230 -6.486 -0.965 1.00 23.15 H new ATOM 0 HA ILE A 57 -6.094 -8.229 -1.999 1.00 73.32 H new ATOM 0 HB ILE A 57 -5.888 -6.485 -3.784 1.00 41.14 H new ATOM 0 HG12 ILE A 57 -8.339 -5.286 -2.446 1.00 1.15 H new ATOM 0 HG13 ILE A 57 -6.744 -4.564 -2.509 1.00 1.15 H new ATOM 0 HG21 ILE A 57 -7.983 -7.076 -4.961 1.00 73.25 H new ATOM 0 HG22 ILE A 57 -7.263 -8.486 -4.150 1.00 73.25 H new ATOM 0 HG23 ILE A 57 -8.669 -7.668 -3.429 1.00 73.25 H new ATOM 0 HD11 ILE A 57 -8.230 -3.549 -4.167 1.00 11.52 H new ATOM 0 HD12 ILE A 57 -6.895 -4.409 -4.971 1.00 11.52 H new ATOM 0 HD13 ILE A 57 -8.516 -5.142 -4.907 1.00 11.52 H new ATOM 926 N GLN A 58 -4.129 -6.845 -1.268 1.00 14.43 N ATOM 927 CA GLN A 58 -2.982 -6.133 -0.699 1.00 35.41 C ATOM 928 C GLN A 58 -2.352 -5.211 -1.748 1.00 15.24 C ATOM 929 O GLN A 58 -1.650 -5.669 -2.647 1.00 5.30 O ATOM 930 CB GLN A 58 -1.944 -7.147 -0.196 1.00 10.22 C ATOM 931 CG GLN A 58 -2.500 -8.145 0.818 1.00 14.05 C ATOM 932 CD GLN A 58 -2.869 -7.497 2.141 1.00 31.15 C ATOM 933 OE1 GLN A 58 -2.065 -7.444 3.062 1.00 70.42 O ATOM 934 NE2 GLN A 58 -4.083 -6.990 2.245 1.00 12.32 N ATOM 0 H GLN A 58 -3.887 -7.712 -1.748 1.00 14.43 H new ATOM 0 HA GLN A 58 -3.323 -5.522 0.137 1.00 35.41 H new ATOM 0 HB2 GLN A 58 -1.542 -7.695 -1.048 1.00 10.22 H new ATOM 0 HB3 GLN A 58 -1.112 -6.607 0.257 1.00 10.22 H new ATOM 0 HG2 GLN A 58 -3.381 -8.630 0.398 1.00 14.05 H new ATOM 0 HG3 GLN A 58 -1.761 -8.926 0.995 1.00 14.05 H new ATOM 0 HE21 GLN A 58 -4.730 -7.050 1.459 1.00 12.32 H new ATOM 0 HE22 GLN A 58 -4.374 -6.538 3.112 1.00 12.32 H new ATOM 943 N VAL A 59 -2.593 -3.907 -1.627 1.00 64.31 N ATOM 944 CA VAL A 59 -2.130 -2.943 -2.634 1.00 20.44 C ATOM 945 C VAL A 59 -0.926 -2.135 -2.135 1.00 23.32 C ATOM 946 O VAL A 59 -1.046 -1.330 -1.213 1.00 32.32 O ATOM 947 CB VAL A 59 -3.264 -1.970 -3.044 1.00 54.23 C ATOM 948 CG1 VAL A 59 -2.780 -0.983 -4.104 1.00 61.50 C ATOM 949 CG2 VAL A 59 -4.484 -2.747 -3.536 1.00 54.43 C ATOM 0 H VAL A 59 -3.103 -3.491 -0.848 1.00 64.31 H new ATOM 0 HA VAL A 59 -1.825 -3.524 -3.504 1.00 20.44 H new ATOM 0 HB VAL A 59 -3.557 -1.396 -2.165 1.00 54.23 H new ATOM 0 HG11 VAL A 59 -3.595 -0.311 -4.375 1.00 61.50 H new ATOM 0 HG12 VAL A 59 -1.947 -0.402 -3.707 1.00 61.50 H new ATOM 0 HG13 VAL A 59 -2.452 -1.530 -4.988 1.00 61.50 H new ATOM 0 HG21 VAL A 59 -5.271 -2.048 -3.820 1.00 54.43 H new ATOM 0 HG22 VAL A 59 -4.207 -3.351 -4.400 1.00 54.43 H new ATOM 0 HG23 VAL A 59 -4.846 -3.397 -2.740 1.00 54.43 H new ATOM 959 N SER A 60 0.237 -2.354 -2.749 1.00 54.45 N ATOM 960 CA SER A 60 1.463 -1.643 -2.357 1.00 72.32 C ATOM 961 C SER A 60 1.824 -0.533 -3.354 1.00 24.44 C ATOM 962 O SER A 60 1.858 -0.749 -4.568 1.00 70.42 O ATOM 963 CB SER A 60 2.639 -2.619 -2.224 1.00 21.25 C ATOM 964 OG SER A 60 2.975 -3.215 -3.466 1.00 61.14 O ATOM 0 H SER A 60 0.360 -3.014 -3.517 1.00 54.45 H new ATOM 0 HA SER A 60 1.267 -1.180 -1.390 1.00 72.32 H new ATOM 0 HB2 SER A 60 3.506 -2.090 -1.829 1.00 21.25 H new ATOM 0 HB3 SER A 60 2.385 -3.398 -1.505 1.00 21.25 H new ATOM 0 HG SER A 60 3.935 -3.108 -3.631 1.00 61.14 H new ATOM 970 N ILE A 61 2.094 0.658 -2.831 1.00 12.55 N ATOM 971 CA ILE A 61 2.470 1.812 -3.656 1.00 52.23 C ATOM 972 C ILE A 61 3.810 2.416 -3.188 1.00 14.54 C ATOM 973 O ILE A 61 4.165 2.306 -2.014 1.00 50.00 O ATOM 974 CB ILE A 61 1.376 2.910 -3.614 1.00 5.34 C ATOM 975 CG1 ILE A 61 1.151 3.390 -2.171 1.00 74.21 C ATOM 976 CG2 ILE A 61 0.073 2.399 -4.229 1.00 31.34 C ATOM 977 CD1 ILE A 61 0.132 4.502 -2.050 1.00 52.13 C ATOM 0 H ILE A 61 2.060 0.855 -1.831 1.00 12.55 H new ATOM 0 HA ILE A 61 2.577 1.453 -4.680 1.00 52.23 H new ATOM 0 HB ILE A 61 1.717 3.759 -4.206 1.00 5.34 H new ATOM 0 HG12 ILE A 61 0.827 2.545 -1.563 1.00 74.21 H new ATOM 0 HG13 ILE A 61 2.100 3.733 -1.760 1.00 74.21 H new ATOM 0 HG21 ILE A 61 -0.681 3.185 -4.189 1.00 31.34 H new ATOM 0 HG22 ILE A 61 0.247 2.115 -5.267 1.00 31.34 H new ATOM 0 HG23 ILE A 61 -0.278 1.532 -3.670 1.00 31.34 H new ATOM 0 HD11 ILE A 61 0.027 4.787 -1.003 1.00 52.13 H new ATOM 0 HD12 ILE A 61 0.463 5.364 -2.630 1.00 52.13 H new ATOM 0 HD13 ILE A 61 -0.830 4.157 -2.430 1.00 52.13 H new ATOM 989 N PRO A 62 4.572 3.061 -4.101 1.00 12.45 N ATOM 990 CA PRO A 62 5.871 3.684 -3.762 1.00 51.35 C ATOM 991 C PRO A 62 5.799 4.638 -2.549 1.00 73.40 C ATOM 992 O PRO A 62 4.820 5.364 -2.375 1.00 42.14 O ATOM 993 CB PRO A 62 6.229 4.460 -5.040 1.00 55.42 C ATOM 994 CG PRO A 62 5.529 3.727 -6.134 1.00 34.24 C ATOM 995 CD PRO A 62 4.239 3.232 -5.534 1.00 72.01 C ATOM 0 HA PRO A 62 6.608 2.936 -3.469 1.00 51.35 H new ATOM 0 HB2 PRO A 62 5.896 5.496 -4.981 1.00 55.42 H new ATOM 0 HB3 PRO A 62 7.307 4.480 -5.203 1.00 55.42 H new ATOM 0 HG2 PRO A 62 5.339 4.382 -6.985 1.00 34.24 H new ATOM 0 HG3 PRO A 62 6.134 2.897 -6.499 1.00 34.24 H new ATOM 0 HD2 PRO A 62 3.429 3.947 -5.676 1.00 72.01 H new ATOM 0 HD3 PRO A 62 3.919 2.294 -5.987 1.00 72.01 H new ATOM 1003 N ALA A 63 6.845 4.637 -1.719 1.00 10.54 N ATOM 1004 CA ALA A 63 6.897 5.496 -0.521 1.00 40.23 C ATOM 1005 C ALA A 63 6.815 6.990 -0.880 1.00 20.55 C ATOM 1006 O ALA A 63 6.292 7.800 -0.109 1.00 41.55 O ATOM 1007 CB ALA A 63 8.164 5.214 0.275 1.00 52.14 C ATOM 0 H ALA A 63 7.671 4.052 -1.850 1.00 10.54 H new ATOM 0 HA ALA A 63 6.027 5.258 0.091 1.00 40.23 H new ATOM 0 HB1 ALA A 63 8.190 5.855 1.157 1.00 52.14 H new ATOM 0 HB2 ALA A 63 8.174 4.169 0.585 1.00 52.14 H new ATOM 0 HB3 ALA A 63 9.037 5.416 -0.346 1.00 52.14 H new ATOM 1013 N SER A 64 7.332 7.347 -2.056 1.00 2.53 N ATOM 1014 CA SER A 64 7.263 8.729 -2.559 1.00 74.44 C ATOM 1015 C SER A 64 5.807 9.187 -2.735 1.00 60.52 C ATOM 1016 O SER A 64 5.512 10.387 -2.742 1.00 73.21 O ATOM 1017 CB SER A 64 8.010 8.858 -3.895 1.00 35.54 C ATOM 1018 OG SER A 64 7.988 10.194 -4.376 1.00 42.34 O ATOM 0 H SER A 64 7.806 6.698 -2.684 1.00 2.53 H new ATOM 0 HA SER A 64 7.741 9.370 -1.818 1.00 74.44 H new ATOM 0 HB2 SER A 64 9.043 8.532 -3.769 1.00 35.54 H new ATOM 0 HB3 SER A 64 7.555 8.197 -4.633 1.00 35.54 H new ATOM 0 HG SER A 64 8.473 10.244 -5.226 1.00 42.34 H new ATOM 1024 N VAL A 65 4.896 8.226 -2.882 1.00 54.14 N ATOM 1025 CA VAL A 65 3.463 8.520 -2.967 1.00 44.03 C ATOM 1026 C VAL A 65 2.897 8.861 -1.574 1.00 42.25 C ATOM 1027 O VAL A 65 3.082 8.099 -0.619 1.00 52.31 O ATOM 1028 CB VAL A 65 2.679 7.325 -3.574 1.00 10.42 C ATOM 1029 CG1 VAL A 65 1.189 7.642 -3.670 1.00 55.33 C ATOM 1030 CG2 VAL A 65 3.245 6.951 -4.943 1.00 43.14 C ATOM 0 H VAL A 65 5.124 7.234 -2.945 1.00 54.14 H new ATOM 0 HA VAL A 65 3.341 9.382 -3.623 1.00 44.03 H new ATOM 0 HB VAL A 65 2.797 6.469 -2.910 1.00 10.42 H new ATOM 0 HG11 VAL A 65 0.662 6.789 -4.098 1.00 55.33 H new ATOM 0 HG12 VAL A 65 0.796 7.848 -2.674 1.00 55.33 H new ATOM 0 HG13 VAL A 65 1.043 8.515 -4.306 1.00 55.33 H new ATOM 0 HG21 VAL A 65 2.683 6.112 -5.352 1.00 43.14 H new ATOM 0 HG22 VAL A 65 3.164 7.805 -5.616 1.00 43.14 H new ATOM 0 HG23 VAL A 65 4.293 6.669 -4.839 1.00 43.14 H new ATOM 1040 N PRO A 66 2.196 10.010 -1.440 1.00 72.51 N ATOM 1041 CA PRO A 66 1.689 10.495 -0.138 1.00 24.11 C ATOM 1042 C PRO A 66 0.765 9.493 0.580 1.00 62.11 C ATOM 1043 O PRO A 66 -0.020 8.773 -0.052 1.00 4.40 O ATOM 1044 CB PRO A 66 0.912 11.775 -0.506 1.00 74.43 C ATOM 1045 CG PRO A 66 0.651 11.660 -1.970 1.00 63.44 C ATOM 1046 CD PRO A 66 1.833 10.927 -2.536 1.00 24.15 C ATOM 0 HA PRO A 66 2.507 10.654 0.564 1.00 24.11 H new ATOM 0 HB2 PRO A 66 -0.019 11.847 0.056 1.00 74.43 H new ATOM 0 HB3 PRO A 66 1.493 12.669 -0.278 1.00 74.43 H new ATOM 0 HG2 PRO A 66 -0.275 11.117 -2.161 1.00 63.44 H new ATOM 0 HG3 PRO A 66 0.544 12.644 -2.427 1.00 63.44 H new ATOM 0 HD2 PRO A 66 1.577 10.388 -3.448 1.00 24.15 H new ATOM 0 HD3 PRO A 66 2.649 11.605 -2.785 1.00 24.15 H new ATOM 1054 N LEU A 67 0.874 9.463 1.909 1.00 43.44 N ATOM 1055 CA LEU A 67 0.027 8.620 2.756 1.00 21.13 C ATOM 1056 C LEU A 67 -1.459 8.994 2.581 1.00 42.30 C ATOM 1057 O LEU A 67 -1.793 10.156 2.348 1.00 63.30 O ATOM 1058 CB LEU A 67 0.462 8.776 4.223 1.00 25.21 C ATOM 1059 CG LEU A 67 -0.133 7.756 5.208 1.00 21.00 C ATOM 1060 CD1 LEU A 67 0.256 6.328 4.818 1.00 22.03 C ATOM 1061 CD2 LEU A 67 0.318 8.063 6.635 1.00 21.54 C ATOM 0 H LEU A 67 1.551 10.022 2.429 1.00 43.44 H new ATOM 0 HA LEU A 67 0.143 7.578 2.459 1.00 21.13 H new ATOM 0 HB2 LEU A 67 1.549 8.707 4.270 1.00 25.21 H new ATOM 0 HB3 LEU A 67 0.192 9.777 4.558 1.00 25.21 H new ATOM 0 HG LEU A 67 -1.219 7.836 5.163 1.00 21.00 H new ATOM 0 HD11 LEU A 67 -0.177 5.626 5.530 1.00 22.03 H new ATOM 0 HD12 LEU A 67 -0.119 6.109 3.818 1.00 22.03 H new ATOM 0 HD13 LEU A 67 1.342 6.231 4.827 1.00 22.03 H new ATOM 0 HD21 LEU A 67 -0.113 7.331 7.318 1.00 21.54 H new ATOM 0 HD22 LEU A 67 1.406 8.016 6.691 1.00 21.54 H new ATOM 0 HD23 LEU A 67 -0.017 9.062 6.915 1.00 21.54 H new ATOM 1073 N LYS A 68 -2.347 8.008 2.684 1.00 63.21 N ATOM 1074 CA LYS A 68 -3.768 8.215 2.367 1.00 33.10 C ATOM 1075 C LYS A 68 -4.586 8.708 3.573 1.00 22.23 C ATOM 1076 O LYS A 68 -5.238 9.749 3.495 1.00 11.41 O ATOM 1077 CB LYS A 68 -4.372 6.928 1.775 1.00 50.03 C ATOM 1078 CG LYS A 68 -4.073 6.743 0.284 1.00 44.34 C ATOM 1079 CD LYS A 68 -2.573 6.755 -0.016 1.00 21.54 C ATOM 1080 CE LYS A 68 -2.289 6.896 -1.505 1.00 55.31 C ATOM 1081 NZ LYS A 68 -2.810 8.176 -2.057 1.00 11.22 N ATOM 0 H LYS A 68 -2.115 7.061 2.982 1.00 63.21 H new ATOM 0 HA LYS A 68 -3.819 9.009 1.622 1.00 33.10 H new ATOM 0 HB2 LYS A 68 -3.986 6.069 2.324 1.00 50.03 H new ATOM 0 HB3 LYS A 68 -5.452 6.942 1.922 1.00 50.03 H new ATOM 0 HG2 LYS A 68 -4.501 5.800 -0.055 1.00 44.34 H new ATOM 0 HG3 LYS A 68 -4.560 7.536 -0.283 1.00 44.34 H new ATOM 0 HD2 LYS A 68 -2.103 7.578 0.522 1.00 21.54 H new ATOM 0 HD3 LYS A 68 -2.122 5.834 0.353 1.00 21.54 H new ATOM 0 HE2 LYS A 68 -1.214 6.840 -1.675 1.00 55.31 H new ATOM 0 HE3 LYS A 68 -2.741 6.061 -2.040 1.00 55.31 H new ATOM 0 HZ1 LYS A 68 -2.287 8.419 -2.923 1.00 11.22 H new ATOM 0 HZ2 LYS A 68 -3.820 8.072 -2.280 1.00 11.22 H new ATOM 0 HZ3 LYS A 68 -2.687 8.933 -1.354 1.00 11.22 H new ATOM 1095 N GLU A 69 -4.571 7.954 4.676 1.00 70.01 N ATOM 1096 CA GLU A 69 -5.274 8.357 5.908 1.00 73.03 C ATOM 1097 C GLU A 69 -6.793 8.537 5.692 1.00 14.31 C ATOM 1098 O GLU A 69 -7.463 9.218 6.476 1.00 22.44 O ATOM 1099 CB GLU A 69 -4.665 9.661 6.454 1.00 63.34 C ATOM 1100 CG GLU A 69 -3.206 9.537 6.889 1.00 40.54 C ATOM 1101 CD GLU A 69 -3.033 8.688 8.137 1.00 34.45 C ATOM 1102 OE1 GLU A 69 -3.183 9.234 9.252 1.00 34.41 O ATOM 1103 OE2 GLU A 69 -2.752 7.476 8.012 1.00 13.51 O ATOM 0 H GLU A 69 -4.082 7.062 4.746 1.00 70.01 H new ATOM 0 HA GLU A 69 -5.145 7.552 6.632 1.00 73.03 H new ATOM 0 HB2 GLU A 69 -4.740 10.432 5.687 1.00 63.34 H new ATOM 0 HB3 GLU A 69 -5.258 9.998 7.304 1.00 63.34 H new ATOM 0 HG2 GLU A 69 -2.625 9.102 6.076 1.00 40.54 H new ATOM 0 HG3 GLU A 69 -2.801 10.532 7.073 1.00 40.54 H new ATOM 1110 N PHE A 70 -7.335 7.907 4.648 1.00 32.21 N ATOM 1111 CA PHE A 70 -8.762 8.035 4.311 1.00 32.14 C ATOM 1112 C PHE A 70 -9.670 7.413 5.385 1.00 2.44 C ATOM 1113 O PHE A 70 -9.216 6.652 6.243 1.00 33.13 O ATOM 1114 CB PHE A 70 -9.054 7.392 2.948 1.00 33.55 C ATOM 1115 CG PHE A 70 -8.341 8.050 1.789 1.00 51.43 C ATOM 1116 CD1 PHE A 70 -8.111 9.420 1.782 1.00 33.23 C ATOM 1117 CD2 PHE A 70 -7.917 7.301 0.700 1.00 1.33 C ATOM 1118 CE1 PHE A 70 -7.474 10.024 0.716 1.00 44.31 C ATOM 1119 CE2 PHE A 70 -7.277 7.902 -0.367 1.00 21.15 C ATOM 1120 CZ PHE A 70 -7.054 9.265 -0.358 1.00 24.45 C ATOM 0 H PHE A 70 -6.810 7.301 4.018 1.00 32.21 H new ATOM 0 HA PHE A 70 -8.983 9.101 4.265 1.00 32.14 H new ATOM 0 HB2 PHE A 70 -8.769 6.341 2.986 1.00 33.55 H new ATOM 0 HB3 PHE A 70 -10.128 7.425 2.766 1.00 33.55 H new ATOM 0 HD1 PHE A 70 -8.434 10.020 2.620 1.00 33.23 H new ATOM 0 HD2 PHE A 70 -8.090 6.235 0.686 1.00 1.33 H new ATOM 0 HE1 PHE A 70 -7.304 11.091 0.722 1.00 44.31 H new ATOM 0 HE2 PHE A 70 -6.951 7.307 -1.207 1.00 21.15 H new ATOM 0 HZ PHE A 70 -6.552 9.736 -1.190 1.00 24.45 H new ATOM 1130 N ASP A 71 -10.958 7.747 5.328 1.00 12.20 N ATOM 1131 CA ASP A 71 -11.931 7.275 6.317 1.00 4.01 C ATOM 1132 C ASP A 71 -12.126 5.750 6.272 1.00 60.31 C ATOM 1133 O ASP A 71 -12.048 5.122 5.212 1.00 43.43 O ATOM 1134 CB ASP A 71 -13.276 7.978 6.116 1.00 34.25 C ATOM 1135 CG ASP A 71 -13.172 9.474 6.329 1.00 24.25 C ATOM 1136 OD1 ASP A 71 -13.326 9.928 7.484 1.00 41.13 O ATOM 1137 OD2 ASP A 71 -12.942 10.206 5.345 1.00 20.15 O ATOM 0 H ASP A 71 -11.355 8.346 4.604 1.00 12.20 H new ATOM 0 HA ASP A 71 -11.529 7.522 7.300 1.00 4.01 H new ATOM 0 HB2 ASP A 71 -13.642 7.780 5.108 1.00 34.25 H new ATOM 0 HB3 ASP A 71 -14.009 7.563 6.808 1.00 34.25 H new ATOM 1142 N TYR A 72 -12.387 5.173 7.441 1.00 64.24 N ATOM 1143 CA TYR A 72 -12.622 3.736 7.577 1.00 41.13 C ATOM 1144 C TYR A 72 -13.865 3.286 6.784 1.00 73.44 C ATOM 1145 O TYR A 72 -14.962 3.818 6.976 1.00 50.30 O ATOM 1146 CB TYR A 72 -12.775 3.389 9.066 1.00 64.30 C ATOM 1147 CG TYR A 72 -12.853 1.904 9.358 1.00 53.42 C ATOM 1148 CD1 TYR A 72 -11.824 1.051 8.976 1.00 65.02 C ATOM 1149 CD2 TYR A 72 -13.945 1.359 10.024 1.00 14.14 C ATOM 1150 CE1 TYR A 72 -11.883 -0.300 9.245 1.00 64.54 C ATOM 1151 CE2 TYR A 72 -14.010 0.006 10.297 1.00 12.14 C ATOM 1152 CZ TYR A 72 -12.977 -0.819 9.906 1.00 62.14 C ATOM 1153 OH TYR A 72 -13.037 -2.169 10.177 1.00 31.45 O ATOM 0 H TYR A 72 -12.442 5.686 8.321 1.00 64.24 H new ATOM 0 HA TYR A 72 -11.767 3.203 7.162 1.00 41.13 H new ATOM 0 HB2 TYR A 72 -11.932 3.811 9.613 1.00 64.30 H new ATOM 0 HB3 TYR A 72 -13.676 3.870 9.448 1.00 64.30 H new ATOM 0 HD1 TYR A 72 -10.964 1.453 8.460 1.00 65.02 H new ATOM 0 HD2 TYR A 72 -14.755 2.003 10.333 1.00 14.14 H new ATOM 0 HE1 TYR A 72 -11.076 -0.949 8.939 1.00 64.54 H new ATOM 0 HE2 TYR A 72 -14.866 -0.403 10.814 1.00 12.14 H new ATOM 0 HH TYR A 72 -13.872 -2.371 10.648 1.00 31.45 H new ATOM 1163 N ASN A 73 -13.671 2.314 5.886 1.00 22.32 N ATOM 1164 CA ASN A 73 -14.749 1.769 5.040 1.00 64.43 C ATOM 1165 C ASN A 73 -15.211 2.765 3.957 1.00 51.22 C ATOM 1166 O ASN A 73 -16.277 2.596 3.361 1.00 32.32 O ATOM 1167 CB ASN A 73 -15.946 1.315 5.894 1.00 63.15 C ATOM 1168 CG ASN A 73 -15.605 0.161 6.825 1.00 50.31 C ATOM 1169 OD1 ASN A 73 -16.146 0.056 7.917 1.00 63.25 O ATOM 1170 ND2 ASN A 73 -14.719 -0.720 6.400 1.00 21.22 N ATOM 0 H ASN A 73 -12.763 1.880 5.722 1.00 22.32 H new ATOM 0 HA ASN A 73 -14.332 0.902 4.527 1.00 64.43 H new ATOM 0 HB2 ASN A 73 -16.305 2.158 6.485 1.00 63.15 H new ATOM 0 HB3 ASN A 73 -16.762 1.016 5.237 1.00 63.15 H new ATOM 0 HD21 ASN A 73 -14.469 -1.515 6.987 1.00 21.22 H new ATOM 0 HD22 ASN A 73 -14.285 -0.605 5.484 1.00 21.22 H new ATOM 1177 N ALA A 74 -14.404 3.790 3.689 1.00 32.51 N ATOM 1178 CA ALA A 74 -14.701 4.737 2.605 1.00 71.23 C ATOM 1179 C ALA A 74 -14.313 4.151 1.236 1.00 75.11 C ATOM 1180 O ALA A 74 -13.370 3.363 1.134 1.00 35.53 O ATOM 1181 CB ALA A 74 -13.976 6.058 2.841 1.00 25.45 C ATOM 0 H ALA A 74 -13.544 3.989 4.201 1.00 32.51 H new ATOM 0 HA ALA A 74 -15.775 4.921 2.602 1.00 71.23 H new ATOM 0 HB1 ALA A 74 -14.206 6.749 2.030 1.00 25.45 H new ATOM 0 HB2 ALA A 74 -14.303 6.488 3.788 1.00 25.45 H new ATOM 0 HB3 ALA A 74 -12.901 5.882 2.874 1.00 25.45 H new ATOM 1187 N ARG A 75 -15.041 4.536 0.187 1.00 24.02 N ATOM 1188 CA ARG A 75 -14.753 4.046 -1.168 1.00 72.11 C ATOM 1189 C ARG A 75 -13.433 4.621 -1.704 1.00 74.52 C ATOM 1190 O ARG A 75 -13.253 5.840 -1.770 1.00 15.33 O ATOM 1191 CB ARG A 75 -15.886 4.408 -2.140 1.00 12.20 C ATOM 1192 CG ARG A 75 -17.216 3.709 -1.872 1.00 51.24 C ATOM 1193 CD ARG A 75 -18.218 3.999 -2.989 1.00 44.12 C ATOM 1194 NE ARG A 75 -19.534 3.417 -2.735 1.00 71.05 N ATOM 1195 CZ ARG A 75 -20.517 3.440 -3.597 1.00 14.44 C ATOM 1196 NH1 ARG A 75 -20.331 3.891 -4.797 1.00 43.42 N ATOM 1197 NH2 ARG A 75 -21.677 2.982 -3.265 1.00 54.52 N ATOM 0 H ARG A 75 -15.829 5.181 0.245 1.00 24.02 H new ATOM 0 HA ARG A 75 -14.667 2.962 -1.100 1.00 72.11 H new ATOM 0 HB2 ARG A 75 -16.046 5.486 -2.103 1.00 12.20 H new ATOM 0 HB3 ARG A 75 -15.565 4.168 -3.154 1.00 12.20 H new ATOM 0 HG2 ARG A 75 -17.057 2.634 -1.791 1.00 51.24 H new ATOM 0 HG3 ARG A 75 -17.622 4.044 -0.918 1.00 51.24 H new ATOM 0 HD2 ARG A 75 -18.320 5.078 -3.108 1.00 44.12 H new ATOM 0 HD3 ARG A 75 -17.829 3.609 -3.930 1.00 44.12 H new ATOM 0 HE ARG A 75 -19.695 2.967 -1.834 1.00 71.05 H new ATOM 0 HH11 ARG A 75 -19.411 4.232 -5.077 1.00 43.42 H new ATOM 0 HH12 ARG A 75 -21.104 3.905 -5.462 1.00 43.42 H new ATOM 0 HH21 ARG A 75 -21.827 2.602 -2.330 1.00 54.52 H new ATOM 0 HH22 ARG A 75 -22.444 3.000 -3.937 1.00 54.52 H new ATOM 1211 N VAL A 76 -12.519 3.740 -2.094 1.00 34.32 N ATOM 1212 CA VAL A 76 -11.241 4.146 -2.685 1.00 32.31 C ATOM 1213 C VAL A 76 -11.003 3.437 -4.028 1.00 1.24 C ATOM 1214 O VAL A 76 -11.315 2.258 -4.187 1.00 41.23 O ATOM 1215 CB VAL A 76 -10.055 3.848 -1.731 1.00 51.44 C ATOM 1216 CG1 VAL A 76 -10.142 4.704 -0.469 1.00 41.42 C ATOM 1217 CG2 VAL A 76 -10.010 2.364 -1.370 1.00 63.14 C ATOM 0 H VAL A 76 -12.637 2.730 -2.012 1.00 34.32 H new ATOM 0 HA VAL A 76 -11.296 5.222 -2.852 1.00 32.31 H new ATOM 0 HB VAL A 76 -9.132 4.103 -2.252 1.00 51.44 H new ATOM 0 HG11 VAL A 76 -9.299 4.476 0.184 1.00 41.42 H new ATOM 0 HG12 VAL A 76 -10.115 5.759 -0.742 1.00 41.42 H new ATOM 0 HG13 VAL A 76 -11.074 4.488 0.053 1.00 41.42 H new ATOM 0 HG21 VAL A 76 -9.170 2.178 -0.700 1.00 63.14 H new ATOM 0 HG22 VAL A 76 -10.939 2.082 -0.875 1.00 63.14 H new ATOM 0 HG23 VAL A 76 -9.888 1.772 -2.277 1.00 63.14 H new ATOM 1227 N GLU A 77 -10.456 4.167 -4.994 1.00 52.31 N ATOM 1228 CA GLU A 77 -10.141 3.604 -6.309 1.00 72.51 C ATOM 1229 C GLU A 77 -8.656 3.798 -6.654 1.00 5.12 C ATOM 1230 O GLU A 77 -8.005 4.727 -6.173 1.00 30.24 O ATOM 1231 CB GLU A 77 -11.031 4.233 -7.393 1.00 24.33 C ATOM 1232 CG GLU A 77 -10.881 5.745 -7.540 1.00 33.23 C ATOM 1233 CD GLU A 77 -11.742 6.309 -8.660 1.00 2.35 C ATOM 1234 OE1 GLU A 77 -12.984 6.256 -8.542 1.00 72.31 O ATOM 1235 OE2 GLU A 77 -11.183 6.803 -9.664 1.00 0.33 O ATOM 0 H GLU A 77 -10.219 5.154 -4.894 1.00 52.31 H new ATOM 0 HA GLU A 77 -10.341 2.533 -6.272 1.00 72.51 H new ATOM 0 HB2 GLU A 77 -10.802 3.764 -8.350 1.00 24.33 H new ATOM 0 HB3 GLU A 77 -12.073 4.005 -7.167 1.00 24.33 H new ATOM 0 HG2 GLU A 77 -11.151 6.227 -6.600 1.00 33.23 H new ATOM 0 HG3 GLU A 77 -9.836 5.986 -7.733 1.00 33.23 H new ATOM 1242 N LEU A 78 -8.128 2.912 -7.489 1.00 71.55 N ATOM 1243 CA LEU A 78 -6.711 2.943 -7.854 1.00 71.05 C ATOM 1244 C LEU A 78 -6.474 3.738 -9.146 1.00 41.43 C ATOM 1245 O LEU A 78 -7.317 3.750 -10.046 1.00 32.43 O ATOM 1246 CB LEU A 78 -6.184 1.507 -8.004 1.00 62.13 C ATOM 1247 CG LEU A 78 -6.301 0.637 -6.738 1.00 65.20 C ATOM 1248 CD1 LEU A 78 -5.776 -0.777 -6.984 1.00 60.44 C ATOM 1249 CD2 LEU A 78 -5.567 1.292 -5.573 1.00 1.01 C ATOM 0 H LEU A 78 -8.658 2.160 -7.929 1.00 71.55 H new ATOM 0 HA LEU A 78 -6.167 3.449 -7.057 1.00 71.05 H new ATOM 0 HB2 LEU A 78 -6.727 1.019 -8.814 1.00 62.13 H new ATOM 0 HB3 LEU A 78 -5.137 1.549 -8.302 1.00 62.13 H new ATOM 0 HG LEU A 78 -7.357 0.556 -6.482 1.00 65.20 H new ATOM 0 HD11 LEU A 78 -5.873 -1.365 -6.071 1.00 60.44 H new ATOM 0 HD12 LEU A 78 -6.353 -1.246 -7.781 1.00 60.44 H new ATOM 0 HD13 LEU A 78 -4.727 -0.730 -7.276 1.00 60.44 H new ATOM 0 HD21 LEU A 78 -5.659 0.665 -4.686 1.00 1.01 H new ATOM 0 HD22 LEU A 78 -4.513 1.409 -5.827 1.00 1.01 H new ATOM 0 HD23 LEU A 78 -6.003 2.271 -5.372 1.00 1.01 H new ATOM 1261 N ILE A 79 -5.327 4.412 -9.221 1.00 24.30 N ATOM 1262 CA ILE A 79 -4.937 5.147 -10.430 1.00 30.22 C ATOM 1263 C ILE A 79 -4.423 4.185 -11.520 1.00 2.42 C ATOM 1264 O ILE A 79 -5.053 4.016 -12.561 1.00 62.23 O ATOM 1265 CB ILE A 79 -3.856 6.212 -10.104 1.00 4.01 C ATOM 1266 CG1 ILE A 79 -4.384 7.210 -9.053 1.00 22.42 C ATOM 1267 CG2 ILE A 79 -3.413 6.949 -11.371 1.00 34.13 C ATOM 1268 CD1 ILE A 79 -5.612 7.981 -9.499 1.00 2.14 C ATOM 0 H ILE A 79 -4.650 4.466 -8.460 1.00 24.30 H new ATOM 0 HA ILE A 79 -5.823 5.656 -10.809 1.00 30.22 H new ATOM 0 HB ILE A 79 -2.987 5.699 -9.691 1.00 4.01 H new ATOM 0 HG12 ILE A 79 -4.621 6.667 -8.138 1.00 22.42 H new ATOM 0 HG13 ILE A 79 -3.592 7.918 -8.808 1.00 22.42 H new ATOM 0 HG21 ILE A 79 -2.655 7.690 -11.115 1.00 34.13 H new ATOM 0 HG22 ILE A 79 -2.997 6.234 -12.081 1.00 34.13 H new ATOM 0 HG23 ILE A 79 -4.271 7.448 -11.820 1.00 34.13 H new ATOM 0 HD11 ILE A 79 -5.922 8.661 -8.706 1.00 2.14 H new ATOM 0 HD12 ILE A 79 -5.376 8.553 -10.396 1.00 2.14 H new ATOM 0 HD13 ILE A 79 -6.421 7.283 -9.715 1.00 2.14 H new ATOM 1280 N ASN A 80 -3.270 3.553 -11.274 1.00 61.04 N ATOM 1281 CA ASN A 80 -2.744 2.518 -12.181 1.00 55.12 C ATOM 1282 C ASN A 80 -2.490 1.202 -11.422 1.00 11.13 C ATOM 1283 O ASN A 80 -1.404 0.992 -10.875 1.00 0.33 O ATOM 1284 CB ASN A 80 -1.448 2.981 -12.868 1.00 54.33 C ATOM 1285 CG ASN A 80 -1.638 4.236 -13.702 1.00 44.23 C ATOM 1286 OD1 ASN A 80 -2.065 4.172 -14.849 1.00 54.41 O ATOM 1287 ND2 ASN A 80 -1.294 5.384 -13.151 1.00 53.14 N ATOM 0 H ASN A 80 -2.683 3.736 -10.460 1.00 61.04 H new ATOM 0 HA ASN A 80 -3.498 2.345 -12.949 1.00 55.12 H new ATOM 0 HB2 ASN A 80 -0.687 3.166 -12.110 1.00 54.33 H new ATOM 0 HB3 ASN A 80 -1.074 2.180 -13.506 1.00 54.33 H new ATOM 0 HD21 ASN A 80 -1.380 6.251 -13.682 1.00 53.14 H new ATOM 0 HD22 ASN A 80 -0.942 5.405 -12.194 1.00 53.14 H new ATOM 1294 N PRO A 81 -3.513 0.330 -11.324 1.00 72.13 N ATOM 1295 CA PRO A 81 -3.388 -0.982 -10.662 1.00 22.21 C ATOM 1296 C PRO A 81 -2.778 -2.079 -11.560 1.00 1.53 C ATOM 1297 O PRO A 81 -3.241 -2.308 -12.677 1.00 70.41 O ATOM 1298 CB PRO A 81 -4.844 -1.319 -10.325 1.00 73.43 C ATOM 1299 CG PRO A 81 -5.643 -0.680 -11.414 1.00 33.24 C ATOM 1300 CD PRO A 81 -4.880 0.555 -11.842 1.00 31.34 C ATOM 0 HA PRO A 81 -2.713 -0.939 -9.807 1.00 22.21 H new ATOM 0 HB2 PRO A 81 -5.005 -2.397 -10.296 1.00 73.43 H new ATOM 0 HB3 PRO A 81 -5.125 -0.929 -9.347 1.00 73.43 H new ATOM 0 HG2 PRO A 81 -5.773 -1.365 -12.252 1.00 33.24 H new ATOM 0 HG3 PRO A 81 -6.640 -0.416 -11.060 1.00 33.24 H new ATOM 0 HD2 PRO A 81 -4.882 0.669 -12.926 1.00 31.34 H new ATOM 0 HD3 PRO A 81 -5.321 1.461 -11.425 1.00 31.34 H new ATOM 1308 N ILE A 82 -1.747 -2.766 -11.059 1.00 60.13 N ATOM 1309 CA ILE A 82 -1.194 -3.948 -11.742 1.00 55.54 C ATOM 1310 C ILE A 82 -0.886 -5.074 -10.736 1.00 61.23 C ATOM 1311 O ILE A 82 -0.153 -4.879 -9.766 1.00 12.13 O ATOM 1312 CB ILE A 82 0.095 -3.625 -12.558 1.00 43.34 C ATOM 1313 CG1 ILE A 82 1.172 -2.986 -11.664 1.00 15.33 C ATOM 1314 CG2 ILE A 82 -0.227 -2.725 -13.750 1.00 62.44 C ATOM 1315 CD1 ILE A 82 2.493 -2.742 -12.365 1.00 15.45 C ATOM 0 H ILE A 82 -1.277 -2.528 -10.186 1.00 60.13 H new ATOM 0 HA ILE A 82 -1.962 -4.277 -12.442 1.00 55.54 H new ATOM 0 HB ILE A 82 0.493 -4.565 -12.940 1.00 43.34 H new ATOM 0 HG12 ILE A 82 0.795 -2.037 -11.281 1.00 15.33 H new ATOM 0 HG13 ILE A 82 1.344 -3.631 -10.803 1.00 15.33 H new ATOM 0 HG21 ILE A 82 0.688 -2.514 -14.304 1.00 62.44 H new ATOM 0 HG22 ILE A 82 -0.939 -3.228 -14.404 1.00 62.44 H new ATOM 0 HG23 ILE A 82 -0.660 -1.790 -13.394 1.00 62.44 H new ATOM 0 HD11 ILE A 82 3.197 -2.290 -11.667 1.00 15.45 H new ATOM 0 HD12 ILE A 82 2.895 -3.690 -12.724 1.00 15.45 H new ATOM 0 HD13 ILE A 82 2.338 -2.071 -13.210 1.00 15.45 H new ATOM 1327 N ALA A 83 -1.464 -6.252 -10.961 1.00 61.23 N ATOM 1328 CA ALA A 83 -1.193 -7.417 -10.107 1.00 12.10 C ATOM 1329 C ALA A 83 0.218 -7.955 -10.370 1.00 74.13 C ATOM 1330 O ALA A 83 0.678 -7.964 -11.515 1.00 22.41 O ATOM 1331 CB ALA A 83 -2.231 -8.507 -10.345 1.00 13.24 C ATOM 0 H ALA A 83 -2.120 -6.429 -11.722 1.00 61.23 H new ATOM 0 HA ALA A 83 -1.256 -7.103 -9.065 1.00 12.10 H new ATOM 0 HB1 ALA A 83 -2.014 -9.362 -9.704 1.00 13.24 H new ATOM 0 HB2 ALA A 83 -3.224 -8.121 -10.112 1.00 13.24 H new ATOM 0 HB3 ALA A 83 -2.198 -8.819 -11.389 1.00 13.24 H new ATOM 1337 N ASP A 84 0.912 -8.406 -9.325 1.00 73.41 N ATOM 1338 CA ASP A 84 2.298 -8.854 -9.483 1.00 71.10 C ATOM 1339 C ASP A 84 2.478 -10.328 -9.086 1.00 4.22 C ATOM 1340 O ASP A 84 1.869 -10.813 -8.131 1.00 53.42 O ATOM 1341 CB ASP A 84 3.240 -7.963 -8.664 1.00 30.12 C ATOM 1342 CG ASP A 84 4.648 -7.968 -9.229 1.00 54.30 C ATOM 1343 OD1 ASP A 84 5.387 -8.950 -9.001 1.00 23.21 O ATOM 1344 OD2 ASP A 84 5.011 -7.001 -9.928 1.00 42.54 O ATOM 0 H ASP A 84 0.546 -8.471 -8.375 1.00 73.41 H new ATOM 0 HA ASP A 84 2.550 -8.769 -10.540 1.00 71.10 H new ATOM 0 HB2 ASP A 84 2.857 -6.943 -8.651 1.00 30.12 H new ATOM 0 HB3 ASP A 84 3.261 -8.309 -7.630 1.00 30.12 H new ATOM 1522 N TRP A 98 -3.856 -11.970 -2.099 1.00 40.44 N ATOM 1523 CA TRP A 98 -2.853 -11.757 -3.153 1.00 54.14 C ATOM 1524 C TRP A 98 -2.383 -10.293 -3.201 1.00 63.41 C ATOM 1525 O TRP A 98 -3.019 -9.400 -2.633 1.00 3.02 O ATOM 1526 CB TRP A 98 -3.409 -12.202 -4.519 1.00 10.15 C ATOM 1527 CG TRP A 98 -4.714 -11.555 -4.903 1.00 34.10 C ATOM 1528 CD1 TRP A 98 -5.869 -11.524 -4.169 1.00 74.23 C ATOM 1529 CD2 TRP A 98 -5.009 -10.879 -6.133 1.00 10.22 C ATOM 1530 NE1 TRP A 98 -6.849 -10.856 -4.858 1.00 53.51 N ATOM 1531 CE2 TRP A 98 -6.349 -10.456 -6.067 1.00 34.15 C ATOM 1532 CE3 TRP A 98 -4.267 -10.591 -7.283 1.00 23.32 C ATOM 1533 CZ2 TRP A 98 -6.960 -9.754 -7.101 1.00 71.51 C ATOM 1534 CZ3 TRP A 98 -4.877 -9.897 -8.310 1.00 5.24 C ATOM 1535 CH2 TRP A 98 -6.213 -9.488 -8.216 1.00 40.42 C ATOM 0 HA TRP A 98 -1.982 -12.368 -2.916 1.00 54.14 H new ATOM 0 HB2 TRP A 98 -2.669 -11.981 -5.288 1.00 10.15 H new ATOM 0 HB3 TRP A 98 -3.544 -13.284 -4.507 1.00 10.15 H new ATOM 0 HD1 TRP A 98 -5.991 -11.962 -3.189 1.00 74.23 H new ATOM 0 HE1 TRP A 98 -7.797 -10.685 -4.523 1.00 53.51 H new ATOM 0 HE3 TRP A 98 -3.237 -10.905 -7.367 1.00 23.32 H new ATOM 0 HZ2 TRP A 98 -7.988 -9.430 -7.026 1.00 71.51 H new ATOM 0 HZ3 TRP A 98 -4.313 -9.666 -9.202 1.00 5.24 H new ATOM 0 HH2 TRP A 98 -6.662 -8.952 -9.039 1.00 40.42 H new ATOM 1546 N TYR A 99 -1.264 -10.054 -3.892 1.00 42.14 N ATOM 1547 CA TYR A 99 -0.603 -8.742 -3.870 1.00 21.15 C ATOM 1548 C TYR A 99 -0.696 -7.998 -5.215 1.00 54.34 C ATOM 1549 O TYR A 99 -0.364 -8.535 -6.277 1.00 25.22 O ATOM 1550 CB TYR A 99 0.869 -8.903 -3.461 1.00 14.40 C ATOM 1551 CG TYR A 99 1.050 -9.426 -2.046 1.00 21.11 C ATOM 1552 CD1 TYR A 99 0.927 -10.783 -1.762 1.00 31.53 C ATOM 1553 CD2 TYR A 99 1.330 -8.560 -0.992 1.00 61.22 C ATOM 1554 CE1 TYR A 99 1.079 -11.260 -0.474 1.00 60.21 C ATOM 1555 CE2 TYR A 99 1.486 -9.032 0.297 1.00 15.01 C ATOM 1556 CZ TYR A 99 1.357 -10.382 0.551 1.00 21.31 C ATOM 1557 OH TYR A 99 1.508 -10.853 1.835 1.00 4.11 O ATOM 0 H TYR A 99 -0.796 -10.750 -4.473 1.00 42.14 H new ATOM 0 HA TYR A 99 -1.132 -8.135 -3.136 1.00 21.15 H new ATOM 0 HB2 TYR A 99 1.359 -9.584 -4.157 1.00 14.40 H new ATOM 0 HB3 TYR A 99 1.371 -7.939 -3.551 1.00 14.40 H new ATOM 0 HD1 TYR A 99 0.709 -11.475 -2.562 1.00 31.53 H new ATOM 0 HD2 TYR A 99 1.427 -7.502 -1.185 1.00 61.22 H new ATOM 0 HE1 TYR A 99 0.980 -12.316 -0.272 1.00 60.21 H new ATOM 0 HE2 TYR A 99 1.708 -8.347 1.102 1.00 15.01 H new ATOM 0 HH TYR A 99 1.702 -10.105 2.437 1.00 4.11 H new ATOM 1567 N ILE A 100 -1.148 -6.747 -5.143 1.00 24.03 N ATOM 1568 CA ILE A 100 -1.249 -5.862 -6.307 1.00 71.43 C ATOM 1569 C ILE A 100 -0.398 -4.601 -6.100 1.00 31.13 C ATOM 1570 O ILE A 100 -0.516 -3.926 -5.081 1.00 42.12 O ATOM 1571 CB ILE A 100 -2.719 -5.426 -6.554 1.00 65.40 C ATOM 1572 CG1 ILE A 100 -3.630 -6.651 -6.743 1.00 53.13 C ATOM 1573 CG2 ILE A 100 -2.818 -4.487 -7.761 1.00 72.11 C ATOM 1574 CD1 ILE A 100 -5.096 -6.303 -6.918 1.00 12.35 C ATOM 0 H ILE A 100 -1.456 -6.315 -4.272 1.00 24.03 H new ATOM 0 HA ILE A 100 -0.887 -6.421 -7.170 1.00 71.43 H new ATOM 0 HB ILE A 100 -3.059 -4.882 -5.673 1.00 65.40 H new ATOM 0 HG12 ILE A 100 -3.293 -7.212 -7.615 1.00 53.13 H new ATOM 0 HG13 ILE A 100 -3.523 -7.308 -5.880 1.00 53.13 H new ATOM 0 HG21 ILE A 100 -3.858 -4.197 -7.912 1.00 72.11 H new ATOM 0 HG22 ILE A 100 -2.215 -3.597 -7.580 1.00 72.11 H new ATOM 0 HG23 ILE A 100 -2.451 -4.998 -8.651 1.00 72.11 H new ATOM 0 HD11 ILE A 100 -5.674 -7.218 -7.046 1.00 12.35 H new ATOM 0 HD12 ILE A 100 -5.451 -5.769 -6.036 1.00 12.35 H new ATOM 0 HD13 ILE A 100 -5.217 -5.671 -7.798 1.00 12.35 H new ATOM 1586 N LYS A 101 0.456 -4.285 -7.065 1.00 74.30 N ATOM 1587 CA LYS A 101 1.255 -3.059 -7.006 1.00 52.14 C ATOM 1588 C LYS A 101 0.576 -1.943 -7.809 1.00 4.42 C ATOM 1589 O LYS A 101 0.146 -2.152 -8.942 1.00 31.35 O ATOM 1590 CB LYS A 101 2.679 -3.323 -7.518 1.00 30.24 C ATOM 1591 CG LYS A 101 3.487 -4.237 -6.596 1.00 34.20 C ATOM 1592 CD LYS A 101 4.897 -4.502 -7.123 1.00 71.14 C ATOM 1593 CE LYS A 101 5.720 -3.222 -7.245 1.00 3.22 C ATOM 1594 NZ LYS A 101 5.853 -2.498 -5.946 1.00 42.14 N ATOM 0 H LYS A 101 0.616 -4.855 -7.896 1.00 74.30 H new ATOM 0 HA LYS A 101 1.326 -2.734 -5.968 1.00 52.14 H new ATOM 0 HB2 LYS A 101 2.625 -3.773 -8.509 1.00 30.24 H new ATOM 0 HB3 LYS A 101 3.202 -2.373 -7.627 1.00 30.24 H new ATOM 0 HG2 LYS A 101 3.552 -3.784 -5.607 1.00 34.20 H new ATOM 0 HG3 LYS A 101 2.962 -5.185 -6.479 1.00 34.20 H new ATOM 0 HD2 LYS A 101 5.407 -5.197 -6.456 1.00 71.14 H new ATOM 0 HD3 LYS A 101 4.833 -4.985 -8.098 1.00 71.14 H new ATOM 0 HE2 LYS A 101 6.712 -3.467 -7.623 1.00 3.22 H new ATOM 0 HE3 LYS A 101 5.254 -2.563 -7.978 1.00 3.22 H new ATOM 0 HZ1 LYS A 101 6.809 -2.096 -5.869 1.00 42.14 H new ATOM 0 HZ2 LYS A 101 5.150 -1.733 -5.902 1.00 42.14 H new ATOM 0 HZ3 LYS A 101 5.692 -3.161 -5.161 1.00 42.14 H new ATOM 1608 N ALA A 102 0.450 -0.764 -7.213 1.00 34.40 N ATOM 1609 CA ALA A 102 -0.255 0.346 -7.858 1.00 22.04 C ATOM 1610 C ALA A 102 0.589 1.624 -7.919 1.00 53.44 C ATOM 1611 O ALA A 102 1.598 1.763 -7.226 1.00 72.53 O ATOM 1612 CB ALA A 102 -1.573 0.617 -7.137 1.00 60.04 C ATOM 0 H ALA A 102 0.823 -0.548 -6.289 1.00 34.40 H new ATOM 0 HA ALA A 102 -0.454 0.047 -8.887 1.00 22.04 H new ATOM 0 HB1 ALA A 102 -2.090 1.444 -7.623 1.00 60.04 H new ATOM 0 HB2 ALA A 102 -2.198 -0.275 -7.175 1.00 60.04 H new ATOM 0 HB3 ALA A 102 -1.372 0.876 -6.097 1.00 60.04 H new ATOM 1618 N ASP A 103 0.167 2.539 -8.783 1.00 60.52 N ATOM 1619 CA ASP A 103 0.792 3.858 -8.906 1.00 14.43 C ATOM 1620 C ASP A 103 0.340 4.803 -7.775 1.00 51.11 C ATOM 1621 O ASP A 103 1.143 5.552 -7.222 1.00 62.41 O ATOM 1622 CB ASP A 103 0.433 4.440 -10.275 1.00 62.23 C ATOM 1623 CG ASP A 103 1.021 5.816 -10.527 1.00 34.21 C ATOM 1624 OD1 ASP A 103 2.242 5.993 -10.343 1.00 33.14 O ATOM 1625 OD2 ASP A 103 0.261 6.719 -10.931 1.00 14.33 O ATOM 0 H ASP A 103 -0.617 2.392 -9.419 1.00 60.52 H new ATOM 0 HA ASP A 103 1.873 3.753 -8.819 1.00 14.43 H new ATOM 0 HB2 ASP A 103 0.780 3.759 -11.052 1.00 62.23 H new ATOM 0 HB3 ASP A 103 -0.652 4.497 -10.362 1.00 62.23 H new ATOM 1630 N ASP A 104 -0.953 4.751 -7.430 1.00 15.30 N ATOM 1631 CA ASP A 104 -1.517 5.610 -6.376 1.00 14.01 C ATOM 1632 C ASP A 104 -2.949 5.173 -5.997 1.00 73.32 C ATOM 1633 O ASP A 104 -3.656 4.548 -6.795 1.00 11.01 O ATOM 1634 CB ASP A 104 -1.507 7.077 -6.836 1.00 73.35 C ATOM 1635 CG ASP A 104 -2.034 8.052 -5.790 1.00 11.21 C ATOM 1636 OD1 ASP A 104 -1.885 7.783 -4.579 1.00 31.24 O ATOM 1637 OD2 ASP A 104 -2.584 9.105 -6.180 1.00 71.13 O ATOM 0 H ASP A 104 -1.630 4.124 -7.864 1.00 15.30 H new ATOM 0 HA ASP A 104 -0.896 5.509 -5.486 1.00 14.01 H new ATOM 0 HB2 ASP A 104 -0.488 7.358 -7.101 1.00 73.35 H new ATOM 0 HB3 ASP A 104 -2.108 7.169 -7.741 1.00 73.35 H new ATOM 1642 N ILE A 105 -3.359 5.517 -4.774 1.00 35.34 N ATOM 1643 CA ILE A 105 -4.695 5.184 -4.255 1.00 14.22 C ATOM 1644 C ILE A 105 -5.464 6.461 -3.871 1.00 21.52 C ATOM 1645 O ILE A 105 -5.031 7.209 -2.986 1.00 74.45 O ATOM 1646 CB ILE A 105 -4.600 4.273 -3.000 1.00 60.24 C ATOM 1647 CG1 ILE A 105 -3.667 3.078 -3.259 1.00 11.24 C ATOM 1648 CG2 ILE A 105 -5.994 3.794 -2.581 1.00 2.42 C ATOM 1649 CD1 ILE A 105 -3.504 2.153 -2.071 1.00 24.24 C ATOM 0 H ILE A 105 -2.778 6.033 -4.114 1.00 35.34 H new ATOM 0 HA ILE A 105 -5.224 4.655 -5.048 1.00 14.22 H new ATOM 0 HB ILE A 105 -4.177 4.858 -2.183 1.00 60.24 H new ATOM 0 HG12 ILE A 105 -4.053 2.505 -4.102 1.00 11.24 H new ATOM 0 HG13 ILE A 105 -2.686 3.453 -3.551 1.00 11.24 H new ATOM 0 HG21 ILE A 105 -5.910 3.157 -1.701 1.00 2.42 H new ATOM 0 HG22 ILE A 105 -6.620 4.655 -2.348 1.00 2.42 H new ATOM 0 HG23 ILE A 105 -6.445 3.228 -3.397 1.00 2.42 H new ATOM 0 HD11 ILE A 105 -2.832 1.337 -2.335 1.00 24.24 H new ATOM 0 HD12 ILE A 105 -3.087 2.709 -1.231 1.00 24.24 H new ATOM 0 HD13 ILE A 105 -4.476 1.746 -1.790 1.00 24.24 H new ATOM 1661 N VAL A 106 -6.600 6.708 -4.519 1.00 73.01 N ATOM 1662 CA VAL A 106 -7.408 7.906 -4.241 1.00 11.43 C ATOM 1663 C VAL A 106 -8.845 7.538 -3.828 1.00 51.34 C ATOM 1664 O VAL A 106 -9.259 6.387 -3.940 1.00 33.14 O ATOM 1665 CB VAL A 106 -7.458 8.853 -5.471 1.00 31.33 C ATOM 1666 CG1 VAL A 106 -6.055 9.329 -5.845 1.00 41.21 C ATOM 1667 CG2 VAL A 106 -8.134 8.167 -6.661 1.00 4.22 C ATOM 0 H VAL A 106 -6.986 6.099 -5.240 1.00 73.01 H new ATOM 0 HA VAL A 106 -6.924 8.422 -3.412 1.00 11.43 H new ATOM 0 HB VAL A 106 -8.053 9.726 -5.202 1.00 31.33 H new ATOM 0 HG11 VAL A 106 -6.114 9.991 -6.709 1.00 41.21 H new ATOM 0 HG12 VAL A 106 -5.617 9.867 -5.004 1.00 41.21 H new ATOM 0 HG13 VAL A 106 -5.432 8.469 -6.089 1.00 41.21 H new ATOM 0 HG21 VAL A 106 -8.157 8.850 -7.510 1.00 4.22 H new ATOM 0 HG22 VAL A 106 -7.574 7.272 -6.931 1.00 4.22 H new ATOM 0 HG23 VAL A 106 -9.153 7.890 -6.391 1.00 4.22 H new ATOM 1677 N LEU A 107 -9.594 8.522 -3.336 1.00 61.11 N ATOM 1678 CA LEU A 107 -11.006 8.322 -2.980 1.00 71.24 C ATOM 1679 C LEU A 107 -11.895 8.241 -4.229 1.00 65.44 C ATOM 1680 O LEU A 107 -11.776 9.061 -5.144 1.00 1.13 O ATOM 1681 CB LEU A 107 -11.504 9.458 -2.070 1.00 44.53 C ATOM 1682 CG LEU A 107 -10.993 9.418 -0.622 1.00 34.55 C ATOM 1683 CD1 LEU A 107 -11.423 10.671 0.137 1.00 23.42 C ATOM 1684 CD2 LEU A 107 -11.494 8.160 0.088 1.00 71.44 C ATOM 0 H LEU A 107 -9.251 9.469 -3.173 1.00 61.11 H new ATOM 0 HA LEU A 107 -11.073 7.375 -2.445 1.00 71.24 H new ATOM 0 HB2 LEU A 107 -11.212 10.410 -2.514 1.00 44.53 H new ATOM 0 HB3 LEU A 107 -12.594 9.435 -2.053 1.00 44.53 H new ATOM 0 HG LEU A 107 -9.904 9.390 -0.644 1.00 34.55 H new ATOM 0 HD11 LEU A 107 -11.051 10.622 1.160 1.00 23.42 H new ATOM 0 HD12 LEU A 107 -11.015 11.553 -0.356 1.00 23.42 H new ATOM 0 HD13 LEU A 107 -12.511 10.733 0.149 1.00 23.42 H new ATOM 0 HD21 LEU A 107 -11.122 8.148 1.113 1.00 71.44 H new ATOM 0 HD22 LEU A 107 -12.584 8.157 0.097 1.00 71.44 H new ATOM 0 HD23 LEU A 107 -11.133 7.277 -0.439 1.00 71.44 H new ATOM 1696 N THR A 108 -12.786 7.250 -4.261 1.00 11.20 N ATOM 1697 CA THR A 108 -13.747 7.111 -5.358 1.00 21.43 C ATOM 1698 C THR A 108 -14.675 8.331 -5.413 1.00 31.45 C ATOM 1699 O THR A 108 -15.163 8.791 -4.383 1.00 65.43 O ATOM 1700 CB THR A 108 -14.607 5.832 -5.213 1.00 3.44 C ATOM 1701 OG1 THR A 108 -13.765 4.693 -4.994 1.00 10.04 O ATOM 1702 CG2 THR A 108 -15.460 5.593 -6.456 1.00 71.22 C ATOM 0 H THR A 108 -12.863 6.532 -3.541 1.00 11.20 H new ATOM 0 HA THR A 108 -13.170 7.038 -6.280 1.00 21.43 H new ATOM 0 HB THR A 108 -15.268 5.974 -4.358 1.00 3.44 H new ATOM 0 HG1 THR A 108 -14.319 3.890 -4.902 1.00 10.04 H new ATOM 0 HG21 THR A 108 -16.052 4.688 -6.322 1.00 71.22 H new ATOM 0 HG22 THR A 108 -16.126 6.442 -6.609 1.00 71.22 H new ATOM 0 HG23 THR A 108 -14.812 5.478 -7.325 1.00 71.22 H new