USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 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 138:sc= 0.706 USER MOD Set 1.2: A 101 LYS NZ :NH3+ 165:sc= -0.546 (180deg=-0.858) USER MOD Set 2.1: A 32 ASN : amide:sc= 0.194 X(o=0.2,f=0.15) USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0.00763 USER MOD Set 3.1: A 22 SER OG : rot -49:sc= 0.633 USER MOD Set 3.2: A 49 LYS NZ :NH3+ -179:sc= -2.06! (180deg=-3.07!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.987 K(o=0.99,f=-0.55) USER MOD Single : A 38 SER OG : rot 180:sc= -0.465 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.132 (180deg=-0.617) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 79:sc= -0.663 USER MOD Single : A 50 SER OG : rot -59:sc= 1.11 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.3 K(o=-0.3,f=-3.6) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 1.77 (180deg=-0.0413!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.036 F(o=-2.1!,f=-0.036) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.26 F(o=-4.1!,f=-1.3) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -170:sc= -0.174 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -14.101 -1.736 -3.593 1.00 71.01 N ATOM 282 CA LEU A 19 -12.950 -1.827 -2.684 1.00 73.22 C ATOM 283 C LEU A 19 -13.070 -0.800 -1.551 1.00 35.51 C ATOM 284 O LEU A 19 -13.380 0.366 -1.794 1.00 53.33 O ATOM 285 CB LEU A 19 -11.643 -1.584 -3.460 1.00 53.11 C ATOM 286 CG LEU A 19 -11.413 -2.495 -4.679 1.00 51.40 C ATOM 287 CD1 LEU A 19 -10.131 -2.099 -5.409 1.00 1.42 C ATOM 288 CD2 LEU A 19 -11.362 -3.961 -4.260 1.00 53.21 C ATOM 0 HA LEU A 19 -12.936 -2.828 -2.252 1.00 73.22 H new ATOM 0 HB2 LEU A 19 -11.629 -0.547 -3.796 1.00 53.11 H new ATOM 0 HB3 LEU A 19 -10.806 -1.708 -2.773 1.00 53.11 H new ATOM 0 HG LEU A 19 -12.253 -2.368 -5.362 1.00 51.40 H new ATOM 0 HD11 LEU A 19 -9.984 -2.754 -6.268 1.00 1.42 H new ATOM 0 HD12 LEU A 19 -10.210 -1.066 -5.749 1.00 1.42 H new ATOM 0 HD13 LEU A 19 -9.282 -2.194 -4.732 1.00 1.42 H new ATOM 0 HD21 LEU A 19 -11.199 -4.585 -5.139 1.00 53.21 H new ATOM 0 HD22 LEU A 19 -10.546 -4.109 -3.553 1.00 53.21 H new ATOM 0 HD23 LEU A 19 -12.305 -4.238 -3.789 1.00 53.21 H new ATOM 300 N LYS A 20 -12.826 -1.226 -0.314 1.00 22.24 N ATOM 301 CA LYS A 20 -12.934 -0.328 0.841 1.00 43.52 C ATOM 302 C LYS A 20 -11.655 -0.326 1.696 1.00 33.33 C ATOM 303 O LYS A 20 -11.167 -1.378 2.114 1.00 51.42 O ATOM 304 CB LYS A 20 -14.146 -0.714 1.702 1.00 41.52 C ATOM 305 CG LYS A 20 -15.472 -0.638 0.952 1.00 1.13 C ATOM 306 CD LYS A 20 -16.672 -0.825 1.876 1.00 73.45 C ATOM 307 CE LYS A 20 -17.979 -0.718 1.106 1.00 33.11 C ATOM 308 NZ LYS A 20 -19.165 -0.691 2.001 1.00 14.20 N ATOM 0 H LYS A 20 -12.553 -2.181 -0.083 1.00 22.24 H new ATOM 0 HA LYS A 20 -13.070 0.682 0.455 1.00 43.52 H new ATOM 0 HB2 LYS A 20 -14.007 -1.728 2.077 1.00 41.52 H new ATOM 0 HB3 LYS A 20 -14.190 -0.056 2.570 1.00 41.52 H new ATOM 0 HG2 LYS A 20 -15.549 0.327 0.451 1.00 1.13 H new ATOM 0 HG3 LYS A 20 -15.492 -1.402 0.175 1.00 1.13 H new ATOM 0 HD2 LYS A 20 -16.612 -1.799 2.362 1.00 73.45 H new ATOM 0 HD3 LYS A 20 -16.648 -0.073 2.664 1.00 73.45 H new ATOM 0 HE2 LYS A 20 -17.966 0.186 0.498 1.00 33.11 H new ATOM 0 HE3 LYS A 20 -18.064 -1.562 0.421 1.00 33.11 H new ATOM 0 HZ1 LYS A 20 -20.030 -0.617 1.429 1.00 14.20 H new ATOM 0 HZ2 LYS A 20 -19.195 -1.565 2.564 1.00 14.20 H new ATOM 0 HZ3 LYS A 20 -19.101 0.129 2.638 1.00 14.20 H new ATOM 322 N PHE A 21 -11.128 0.868 1.949 1.00 34.42 N ATOM 323 CA PHE A 21 -9.927 1.041 2.780 1.00 50.33 C ATOM 324 C PHE A 21 -10.198 0.669 4.249 1.00 0.13 C ATOM 325 O PHE A 21 -11.228 1.037 4.809 1.00 11.24 O ATOM 326 CB PHE A 21 -9.451 2.501 2.686 1.00 45.43 C ATOM 327 CG PHE A 21 -8.319 2.852 3.625 1.00 60.30 C ATOM 328 CD1 PHE A 21 -7.021 2.436 3.360 1.00 22.23 C ATOM 329 CD2 PHE A 21 -8.555 3.598 4.775 1.00 43.23 C ATOM 330 CE1 PHE A 21 -5.986 2.757 4.217 1.00 65.14 C ATOM 331 CE2 PHE A 21 -7.522 3.921 5.635 1.00 74.31 C ATOM 332 CZ PHE A 21 -6.238 3.500 5.355 1.00 0.33 C ATOM 0 H PHE A 21 -11.513 1.741 1.590 1.00 34.42 H new ATOM 0 HA PHE A 21 -9.151 0.372 2.408 1.00 50.33 H new ATOM 0 HB2 PHE A 21 -9.133 2.701 1.663 1.00 45.43 H new ATOM 0 HB3 PHE A 21 -10.295 3.159 2.892 1.00 45.43 H new ATOM 0 HD1 PHE A 21 -6.818 1.854 2.473 1.00 22.23 H new ATOM 0 HD2 PHE A 21 -9.558 3.929 4.999 1.00 43.23 H new ATOM 0 HE1 PHE A 21 -4.981 2.428 3.998 1.00 65.14 H new ATOM 0 HE2 PHE A 21 -7.719 4.502 6.524 1.00 74.31 H new ATOM 0 HZ PHE A 21 -5.429 3.751 6.025 1.00 0.33 H new ATOM 342 N SER A 22 -9.277 -0.067 4.875 1.00 22.22 N ATOM 343 CA SER A 22 -9.386 -0.373 6.312 1.00 13.04 C ATOM 344 C SER A 22 -8.263 0.303 7.111 1.00 73.00 C ATOM 345 O SER A 22 -8.523 1.156 7.958 1.00 54.10 O ATOM 346 CB SER A 22 -9.363 -1.889 6.564 1.00 65.00 C ATOM 347 OG SER A 22 -8.124 -2.472 6.188 1.00 23.33 O ATOM 0 H SER A 22 -8.454 -0.461 4.419 1.00 22.22 H new ATOM 0 HA SER A 22 -10.344 0.022 6.652 1.00 13.04 H new ATOM 0 HB2 SER A 22 -9.550 -2.084 7.620 1.00 65.00 H new ATOM 0 HB3 SER A 22 -10.171 -2.362 6.005 1.00 65.00 H new ATOM 0 HG SER A 22 -7.881 -2.171 5.288 1.00 23.33 H new ATOM 353 N ALA A 23 -7.016 -0.082 6.840 1.00 52.43 N ATOM 354 CA ALA A 23 -5.858 0.495 7.538 1.00 24.11 C ATOM 355 C ALA A 23 -4.555 0.288 6.748 1.00 22.20 C ATOM 356 O ALA A 23 -4.568 -0.197 5.618 1.00 24.24 O ATOM 357 CB ALA A 23 -5.738 -0.100 8.937 1.00 13.45 C ATOM 0 H ALA A 23 -6.778 -0.789 6.144 1.00 52.43 H new ATOM 0 HA ALA A 23 -6.020 1.570 7.621 1.00 24.11 H new ATOM 0 HB1 ALA A 23 -4.877 0.335 9.445 1.00 13.45 H new ATOM 0 HB2 ALA A 23 -6.642 0.119 9.504 1.00 13.45 H new ATOM 0 HB3 ALA A 23 -5.609 -1.180 8.863 1.00 13.45 H new ATOM 363 N LEU A 24 -3.428 0.664 7.352 1.00 65.04 N ATOM 364 CA LEU A 24 -2.105 0.476 6.741 1.00 73.43 C ATOM 365 C LEU A 24 -1.483 -0.861 7.186 1.00 33.44 C ATOM 366 O LEU A 24 -1.343 -1.118 8.381 1.00 73.12 O ATOM 367 CB LEU A 24 -1.180 1.642 7.129 1.00 33.34 C ATOM 368 CG LEU A 24 0.236 1.606 6.525 1.00 45.30 C ATOM 369 CD1 LEU A 24 0.184 1.680 4.998 1.00 53.04 C ATOM 370 CD2 LEU A 24 1.092 2.739 7.097 1.00 33.13 C ATOM 0 H LEU A 24 -3.402 1.105 8.272 1.00 65.04 H new ATOM 0 HA LEU A 24 -2.224 0.456 5.658 1.00 73.43 H new ATOM 0 HB2 LEU A 24 -1.658 2.575 6.830 1.00 33.34 H new ATOM 0 HB3 LEU A 24 -1.090 1.664 8.215 1.00 33.34 H new ATOM 0 HG LEU A 24 0.697 0.657 6.797 1.00 45.30 H new ATOM 0 HD11 LEU A 24 1.197 1.653 4.598 1.00 53.04 H new ATOM 0 HD12 LEU A 24 -0.382 0.832 4.612 1.00 53.04 H new ATOM 0 HD13 LEU A 24 -0.301 2.608 4.695 1.00 53.04 H new ATOM 0 HD21 LEU A 24 2.089 2.698 6.659 1.00 33.13 H new ATOM 0 HD22 LEU A 24 0.631 3.698 6.861 1.00 33.13 H new ATOM 0 HD23 LEU A 24 1.166 2.629 8.179 1.00 33.13 H new ATOM 382 N ARG A 25 -1.111 -1.707 6.226 1.00 42.11 N ATOM 383 CA ARG A 25 -0.547 -3.030 6.531 1.00 14.55 C ATOM 384 C ARG A 25 0.913 -2.937 7.004 1.00 2.35 C ATOM 385 O ARG A 25 1.252 -3.382 8.106 1.00 12.23 O ATOM 386 CB ARG A 25 -0.637 -3.940 5.296 1.00 4.32 C ATOM 387 CG ARG A 25 0.028 -5.309 5.461 1.00 73.43 C ATOM 388 CD ARG A 25 -0.617 -6.144 6.564 1.00 2.32 C ATOM 389 NE ARG A 25 -2.044 -6.349 6.329 1.00 64.24 N ATOM 390 CZ ARG A 25 -2.651 -7.500 6.420 1.00 41.52 C ATOM 391 NH1 ARG A 25 -1.993 -8.579 6.710 1.00 2.04 N ATOM 392 NH2 ARG A 25 -3.923 -7.563 6.202 1.00 51.14 N ATOM 0 H ARG A 25 -1.188 -1.504 5.229 1.00 42.11 H new ATOM 0 HA ARG A 25 -1.134 -3.456 7.345 1.00 14.55 H new ATOM 0 HB2 ARG A 25 -1.688 -4.089 5.047 1.00 4.32 H new ATOM 0 HB3 ARG A 25 -0.179 -3.428 4.450 1.00 4.32 H new ATOM 0 HG2 ARG A 25 -0.029 -5.853 4.518 1.00 73.43 H new ATOM 0 HG3 ARG A 25 1.086 -5.171 5.686 1.00 73.43 H new ATOM 0 HD2 ARG A 25 -0.117 -7.111 6.627 1.00 2.32 H new ATOM 0 HD3 ARG A 25 -0.475 -5.649 7.524 1.00 2.32 H new ATOM 0 HE ARG A 25 -2.605 -5.535 6.076 1.00 64.24 H new ATOM 0 HH11 ARG A 25 -0.987 -8.535 6.871 1.00 2.04 H new ATOM 0 HH12 ARG A 25 -2.482 -9.472 6.778 1.00 2.04 H new ATOM 0 HH21 ARG A 25 -4.442 -6.718 5.962 1.00 51.14 H new ATOM 0 HH22 ARG A 25 -4.408 -8.457 6.270 1.00 51.14 H new ATOM 406 N ARG A 26 1.774 -2.361 6.167 1.00 0.11 N ATOM 407 CA ARG A 26 3.212 -2.316 6.452 1.00 41.13 C ATOM 408 C ARG A 26 3.952 -1.370 5.500 1.00 4.02 C ATOM 409 O ARG A 26 3.642 -1.296 4.312 1.00 55.44 O ATOM 410 CB ARG A 26 3.806 -3.732 6.333 1.00 22.15 C ATOM 411 CG ARG A 26 5.306 -3.824 6.608 1.00 14.32 C ATOM 412 CD ARG A 26 5.791 -5.269 6.561 1.00 72.34 C ATOM 413 NE ARG A 26 4.995 -6.128 7.437 1.00 54.43 N ATOM 414 CZ ARG A 26 5.018 -7.432 7.421 1.00 61.14 C ATOM 415 NH1 ARG A 26 5.823 -8.077 6.636 1.00 41.32 N ATOM 416 NH2 ARG A 26 4.224 -8.092 8.201 1.00 20.12 N ATOM 0 H ARG A 26 1.505 -1.919 5.288 1.00 0.11 H new ATOM 0 HA ARG A 26 3.339 -1.938 7.466 1.00 41.13 H new ATOM 0 HB2 ARG A 26 3.283 -4.390 7.027 1.00 22.15 H new ATOM 0 HB3 ARG A 26 3.611 -4.109 5.329 1.00 22.15 H new ATOM 0 HG2 ARG A 26 5.850 -3.232 5.872 1.00 14.32 H new ATOM 0 HG3 ARG A 26 5.525 -3.396 7.586 1.00 14.32 H new ATOM 0 HD2 ARG A 26 5.736 -5.640 5.537 1.00 72.34 H new ATOM 0 HD3 ARG A 26 6.838 -5.313 6.860 1.00 72.34 H new ATOM 0 HE ARG A 26 4.377 -5.674 8.110 1.00 54.43 H new ATOM 0 HH11 ARG A 26 6.452 -7.565 6.018 1.00 41.32 H new ATOM 0 HH12 ARG A 26 5.828 -9.097 6.637 1.00 41.32 H new ATOM 0 HH21 ARG A 26 3.587 -7.592 8.822 1.00 20.12 H new ATOM 0 HH22 ARG A 26 4.235 -9.112 8.195 1.00 20.12 H new ATOM 430 N GLU A 27 4.925 -0.638 6.031 1.00 75.31 N ATOM 431 CA GLU A 27 5.816 0.168 5.197 1.00 73.14 C ATOM 432 C GLU A 27 7.151 -0.556 5.019 1.00 52.23 C ATOM 433 O GLU A 27 8.007 -0.512 5.905 1.00 64.24 O ATOM 434 CB GLU A 27 6.061 1.548 5.827 1.00 32.02 C ATOM 435 CG GLU A 27 4.792 2.323 6.154 1.00 51.20 C ATOM 436 CD GLU A 27 5.084 3.712 6.704 1.00 64.13 C ATOM 437 OE1 GLU A 27 5.732 3.812 7.769 1.00 31.43 O ATOM 438 OE2 GLU A 27 4.664 4.707 6.080 1.00 22.35 O ATOM 0 H GLU A 27 5.118 -0.584 7.031 1.00 75.31 H new ATOM 0 HA GLU A 27 5.340 0.310 4.227 1.00 73.14 H new ATOM 0 HB2 GLU A 27 6.640 1.419 6.742 1.00 32.02 H new ATOM 0 HB3 GLU A 27 6.670 2.142 5.146 1.00 32.02 H new ATOM 0 HG2 GLU A 27 4.183 2.412 5.255 1.00 51.20 H new ATOM 0 HG3 GLU A 27 4.205 1.763 6.882 1.00 51.20 H new ATOM 445 N VAL A 28 7.327 -1.246 3.895 1.00 44.42 N ATOM 446 CA VAL A 28 8.587 -1.942 3.632 1.00 74.52 C ATOM 447 C VAL A 28 9.707 -0.927 3.360 1.00 51.24 C ATOM 448 O VAL A 28 9.698 -0.218 2.355 1.00 31.12 O ATOM 449 CB VAL A 28 8.462 -2.963 2.469 1.00 41.42 C ATOM 450 CG1 VAL A 28 7.503 -4.088 2.856 1.00 3.34 C ATOM 451 CG2 VAL A 28 8.006 -2.290 1.176 1.00 13.41 C ATOM 0 H VAL A 28 6.625 -1.339 3.160 1.00 44.42 H new ATOM 0 HA VAL A 28 8.841 -2.514 4.524 1.00 74.52 H new ATOM 0 HB VAL A 28 9.450 -3.386 2.287 1.00 41.42 H new ATOM 0 HG11 VAL A 28 7.423 -4.798 2.033 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.881 -4.600 3.741 1.00 3.34 H new ATOM 0 HG13 VAL A 28 6.520 -3.670 3.071 1.00 3.34 H new ATOM 0 HG21 VAL A 28 7.930 -3.036 0.385 1.00 13.41 H new ATOM 0 HG22 VAL A 28 7.032 -1.825 1.331 1.00 13.41 H new ATOM 0 HG23 VAL A 28 8.730 -1.528 0.888 1.00 13.41 H new ATOM 461 N ARG A 29 10.651 -0.831 4.290 1.00 12.42 N ATOM 462 CA ARG A 29 11.670 0.220 4.249 1.00 51.54 C ATOM 463 C ARG A 29 13.008 -0.281 3.693 1.00 62.33 C ATOM 464 O ARG A 29 13.307 -1.478 3.731 1.00 4.11 O ATOM 465 CB ARG A 29 11.831 0.826 5.651 1.00 33.45 C ATOM 466 CG ARG A 29 10.544 1.483 6.147 1.00 43.32 C ATOM 467 CD ARG A 29 10.674 2.114 7.531 1.00 73.41 C ATOM 468 NE ARG A 29 9.429 2.784 7.918 1.00 54.13 N ATOM 469 CZ ARG A 29 9.351 3.786 8.749 1.00 51.42 C ATOM 470 NH1 ARG A 29 10.397 4.196 9.392 1.00 41.12 N ATOM 471 NH2 ARG A 29 8.208 4.360 8.963 1.00 71.40 N ATOM 0 H ARG A 29 10.735 -1.467 5.083 1.00 12.42 H new ATOM 0 HA ARG A 29 11.334 0.995 3.560 1.00 51.54 H new ATOM 0 HB2 ARG A 29 12.131 0.045 6.350 1.00 33.45 H new ATOM 0 HB3 ARG A 29 12.632 1.565 5.636 1.00 33.45 H new ATOM 0 HG2 ARG A 29 10.239 2.250 5.435 1.00 43.32 H new ATOM 0 HG3 ARG A 29 9.750 0.736 6.170 1.00 43.32 H new ATOM 0 HD2 ARG A 29 10.922 1.346 8.264 1.00 73.41 H new ATOM 0 HD3 ARG A 29 11.494 2.832 7.532 1.00 73.41 H new ATOM 0 HE ARG A 29 8.560 2.442 7.507 1.00 54.13 H new ATOM 0 HH11 ARG A 29 11.296 3.734 9.251 1.00 41.12 H new ATOM 0 HH12 ARG A 29 10.323 4.981 10.039 1.00 41.12 H new ATOM 0 HH21 ARG A 29 7.372 4.028 8.482 1.00 71.40 H new ATOM 0 HH22 ARG A 29 8.145 5.144 9.613 1.00 71.40 H new ATOM 485 N ILE A 30 13.802 0.651 3.170 1.00 43.32 N ATOM 486 CA ILE A 30 15.061 0.326 2.495 1.00 43.10 C ATOM 487 C ILE A 30 16.065 -0.342 3.448 1.00 42.44 C ATOM 488 O ILE A 30 16.523 0.261 4.419 1.00 33.12 O ATOM 489 CB ILE A 30 15.702 1.598 1.878 1.00 42.04 C ATOM 490 CG1 ILE A 30 14.694 2.312 0.952 1.00 63.34 C ATOM 491 CG2 ILE A 30 16.979 1.241 1.114 1.00 11.22 C ATOM 492 CD1 ILE A 30 15.203 3.616 0.372 1.00 12.12 C ATOM 0 H ILE A 30 13.594 1.649 3.201 1.00 43.32 H new ATOM 0 HA ILE A 30 14.820 -0.380 1.700 1.00 43.10 H new ATOM 0 HB ILE A 30 15.969 2.278 2.687 1.00 42.04 H new ATOM 0 HG12 ILE A 30 14.430 1.641 0.134 1.00 63.34 H new ATOM 0 HG13 ILE A 30 13.779 2.508 1.511 1.00 63.34 H new ATOM 0 HG21 ILE A 30 17.414 2.146 0.689 1.00 11.22 H new ATOM 0 HG22 ILE A 30 17.694 0.781 1.796 1.00 11.22 H new ATOM 0 HG23 ILE A 30 16.740 0.542 0.312 1.00 11.22 H new ATOM 0 HD11 ILE A 30 14.436 4.054 -0.267 1.00 12.12 H new ATOM 0 HD12 ILE A 30 15.439 4.307 1.182 1.00 12.12 H new ATOM 0 HD13 ILE A 30 16.100 3.427 -0.217 1.00 12.12 H new ATOM 504 N GLN A 31 16.397 -1.596 3.167 1.00 11.21 N ATOM 505 CA GLN A 31 17.348 -2.345 3.986 1.00 21.01 C ATOM 506 C GLN A 31 18.787 -2.130 3.491 1.00 72.40 C ATOM 507 O GLN A 31 19.119 -2.452 2.345 1.00 2.12 O ATOM 508 CB GLN A 31 16.983 -3.835 3.969 1.00 61.41 C ATOM 509 CG GLN A 31 17.831 -4.706 4.891 1.00 73.45 C ATOM 510 CD GLN A 31 17.405 -6.167 4.873 1.00 44.32 C ATOM 511 OE1 GLN A 31 16.912 -6.673 3.871 1.00 11.22 O ATOM 512 NE2 GLN A 31 17.579 -6.854 5.984 1.00 22.41 N ATOM 0 H GLN A 31 16.021 -2.119 2.376 1.00 11.21 H new ATOM 0 HA GLN A 31 17.293 -1.979 5.011 1.00 21.01 H new ATOM 0 HB2 GLN A 31 15.936 -3.942 4.251 1.00 61.41 H new ATOM 0 HB3 GLN A 31 17.079 -4.208 2.949 1.00 61.41 H new ATOM 0 HG2 GLN A 31 18.877 -4.633 4.593 1.00 73.45 H new ATOM 0 HG3 GLN A 31 17.762 -4.324 5.910 1.00 73.45 H new ATOM 0 HE21 GLN A 31 17.992 -6.405 6.802 1.00 22.41 H new ATOM 0 HE22 GLN A 31 17.301 -7.834 6.026 1.00 22.41 H new ATOM 521 N ASN A 32 19.631 -1.579 4.359 1.00 32.52 N ATOM 522 CA ASN A 32 21.026 -1.286 4.015 1.00 12.14 C ATOM 523 C ASN A 32 21.795 -2.562 3.630 1.00 23.23 C ATOM 524 O ASN A 32 21.406 -3.675 3.996 1.00 0.41 O ATOM 525 CB ASN A 32 21.739 -0.606 5.191 1.00 30.13 C ATOM 526 CG ASN A 32 20.971 0.583 5.735 1.00 30.44 C ATOM 527 OD1 ASN A 32 21.078 1.697 5.232 1.00 73.12 O ATOM 528 ND2 ASN A 32 20.209 0.363 6.789 1.00 62.33 N ATOM 0 H ASN A 32 19.374 -1.324 5.313 1.00 32.52 H new ATOM 0 HA ASN A 32 21.011 -0.616 3.156 1.00 12.14 H new ATOM 0 HB2 ASN A 32 21.888 -1.333 5.989 1.00 30.13 H new ATOM 0 HB3 ASN A 32 22.728 -0.278 4.870 1.00 30.13 H new ATOM 0 HD21 ASN A 32 19.687 1.131 7.210 1.00 62.33 H new ATOM 0 HD22 ASN A 32 20.142 -0.575 7.183 1.00 62.33 H new ATOM 535 N GLU A 33 22.906 -2.384 2.919 1.00 4.35 N ATOM 536 CA GLU A 33 23.761 -3.506 2.496 1.00 22.14 C ATOM 537 C GLU A 33 24.318 -4.286 3.696 1.00 32.44 C ATOM 538 O GLU A 33 24.765 -5.424 3.558 1.00 3.41 O ATOM 539 CB GLU A 33 24.913 -2.980 1.630 1.00 15.11 C ATOM 540 CG GLU A 33 24.455 -2.384 0.306 1.00 45.35 C ATOM 541 CD GLU A 33 23.820 -3.421 -0.609 1.00 1.14 C ATOM 542 OE1 GLU A 33 22.588 -3.625 -0.531 1.00 44.11 O ATOM 543 OE2 GLU A 33 24.553 -4.044 -1.405 1.00 71.45 O ATOM 0 H GLU A 33 23.242 -1.469 2.619 1.00 4.35 H new ATOM 0 HA GLU A 33 23.147 -4.194 1.915 1.00 22.14 H new ATOM 0 HB2 GLU A 33 25.461 -2.222 2.190 1.00 15.11 H new ATOM 0 HB3 GLU A 33 25.609 -3.795 1.431 1.00 15.11 H new ATOM 0 HG2 GLU A 33 23.738 -1.586 0.499 1.00 45.35 H new ATOM 0 HG3 GLU A 33 25.308 -1.931 -0.200 1.00 45.35 H new ATOM 550 N ASP A 34 24.282 -3.663 4.871 1.00 53.21 N ATOM 551 CA ASP A 34 24.774 -4.284 6.101 1.00 70.43 C ATOM 552 C ASP A 34 23.720 -5.204 6.751 1.00 70.51 C ATOM 553 O ASP A 34 23.971 -5.803 7.795 1.00 24.10 O ATOM 554 CB ASP A 34 25.203 -3.191 7.078 1.00 2.12 C ATOM 555 CG ASP A 34 26.197 -2.235 6.442 1.00 13.32 C ATOM 556 OD1 ASP A 34 27.386 -2.600 6.326 1.00 20.13 O ATOM 557 OD2 ASP A 34 25.784 -1.135 6.022 1.00 52.11 O ATOM 0 H ASP A 34 23.914 -2.720 4.999 1.00 53.21 H new ATOM 0 HA ASP A 34 25.628 -4.912 5.846 1.00 70.43 H new ATOM 0 HB2 ASP A 34 24.326 -2.636 7.413 1.00 2.12 H new ATOM 0 HB3 ASP A 34 25.649 -3.646 7.962 1.00 2.12 H new ATOM 562 N GLY A 35 22.542 -5.307 6.131 1.00 54.41 N ATOM 563 CA GLY A 35 21.490 -6.184 6.645 1.00 75.45 C ATOM 564 C GLY A 35 20.487 -5.474 7.554 1.00 41.22 C ATOM 565 O GLY A 35 19.442 -6.033 7.890 1.00 13.43 O ATOM 0 H GLY A 35 22.295 -4.799 5.281 1.00 54.41 H new ATOM 0 HA2 GLY A 35 20.955 -6.626 5.804 1.00 75.45 H new ATOM 0 HA3 GLY A 35 21.950 -7.004 7.197 1.00 75.45 H new ATOM 569 N SER A 36 20.799 -4.243 7.955 1.00 53.02 N ATOM 570 CA SER A 36 19.915 -3.453 8.830 1.00 60.10 C ATOM 571 C SER A 36 18.874 -2.668 8.021 1.00 32.34 C ATOM 572 O SER A 36 19.115 -2.296 6.873 1.00 11.11 O ATOM 573 CB SER A 36 20.739 -2.473 9.673 1.00 44.31 C ATOM 574 OG SER A 36 21.468 -1.575 8.848 1.00 23.31 O ATOM 0 H SER A 36 21.660 -3.764 7.690 1.00 53.02 H new ATOM 0 HA SER A 36 19.392 -4.154 9.481 1.00 60.10 H new ATOM 0 HB2 SER A 36 20.078 -1.911 10.332 1.00 44.31 H new ATOM 0 HB3 SER A 36 21.428 -3.027 10.310 1.00 44.31 H new ATOM 0 HG SER A 36 21.984 -0.960 9.410 1.00 23.31 H new ATOM 580 N VAL A 37 17.723 -2.398 8.631 1.00 54.12 N ATOM 581 CA VAL A 37 16.635 -1.684 7.950 1.00 53.04 C ATOM 582 C VAL A 37 16.680 -0.173 8.247 1.00 53.53 C ATOM 583 O VAL A 37 16.690 0.245 9.406 1.00 60.34 O ATOM 584 CB VAL A 37 15.257 -2.252 8.369 1.00 33.04 C ATOM 585 CG1 VAL A 37 14.126 -1.614 7.560 1.00 54.30 C ATOM 586 CG2 VAL A 37 15.242 -3.774 8.228 1.00 23.31 C ATOM 0 H VAL A 37 17.515 -2.660 9.594 1.00 54.12 H new ATOM 0 HA VAL A 37 16.774 -1.832 6.879 1.00 53.04 H new ATOM 0 HB VAL A 37 15.091 -2.003 9.417 1.00 33.04 H new ATOM 0 HG11 VAL A 37 13.171 -2.033 7.877 1.00 54.30 H new ATOM 0 HG12 VAL A 37 14.123 -0.537 7.726 1.00 54.30 H new ATOM 0 HG13 VAL A 37 14.278 -1.817 6.500 1.00 54.30 H new ATOM 0 HG21 VAL A 37 14.266 -4.157 8.526 1.00 23.31 H new ATOM 0 HG22 VAL A 37 15.437 -4.045 7.190 1.00 23.31 H new ATOM 0 HG23 VAL A 37 16.012 -4.206 8.867 1.00 23.31 H new ATOM 596 N SER A 38 16.708 0.642 7.195 1.00 31.03 N ATOM 597 CA SER A 38 16.769 2.106 7.342 1.00 54.33 C ATOM 598 C SER A 38 15.394 2.709 7.659 1.00 21.41 C ATOM 599 O SER A 38 14.380 2.008 7.701 1.00 14.11 O ATOM 600 CB SER A 38 17.318 2.754 6.061 1.00 42.02 C ATOM 601 OG SER A 38 17.365 4.169 6.177 1.00 43.53 O ATOM 0 H SER A 38 16.690 0.319 6.228 1.00 31.03 H new ATOM 0 HA SER A 38 17.437 2.313 8.178 1.00 54.33 H new ATOM 0 HB2 SER A 38 18.318 2.370 5.857 1.00 42.02 H new ATOM 0 HB3 SER A 38 16.691 2.477 5.213 1.00 42.02 H new ATOM 0 HG SER A 38 17.720 4.554 5.348 1.00 43.53 H new ATOM 607 N ASP A 39 15.369 4.019 7.882 1.00 31.31 N ATOM 608 CA ASP A 39 14.124 4.743 8.143 1.00 51.30 C ATOM 609 C ASP A 39 13.414 5.118 6.833 1.00 30.10 C ATOM 610 O ASP A 39 12.196 5.324 6.814 1.00 11.02 O ATOM 611 CB ASP A 39 14.414 5.994 8.976 1.00 24.41 C ATOM 612 CG ASP A 39 15.015 5.644 10.324 1.00 74.31 C ATOM 613 OD1 ASP A 39 14.252 5.446 11.291 1.00 55.50 O ATOM 614 OD2 ASP A 39 16.253 5.546 10.420 1.00 21.14 O ATOM 0 H ASP A 39 16.202 4.607 7.888 1.00 31.31 H new ATOM 0 HA ASP A 39 13.457 4.089 8.705 1.00 51.30 H new ATOM 0 HB2 ASP A 39 15.098 6.644 8.430 1.00 24.41 H new ATOM 0 HB3 ASP A 39 13.491 6.555 9.124 1.00 24.41 H new ATOM 619 N GLU A 40 14.178 5.197 5.742 1.00 25.30 N ATOM 620 CA GLU A 40 13.615 5.491 4.418 1.00 55.05 C ATOM 621 C GLU A 40 12.752 4.326 3.913 1.00 41.31 C ATOM 622 O GLU A 40 13.078 3.161 4.126 1.00 74.23 O ATOM 623 CB GLU A 40 14.731 5.777 3.405 1.00 2.33 C ATOM 624 CG GLU A 40 15.586 6.994 3.741 1.00 71.54 C ATOM 625 CD GLU A 40 16.584 7.319 2.642 1.00 25.24 C ATOM 626 OE1 GLU A 40 16.211 8.035 1.690 1.00 12.13 O ATOM 627 OE2 GLU A 40 17.740 6.849 2.718 1.00 32.13 O ATOM 0 H GLU A 40 15.189 5.062 5.747 1.00 25.30 H new ATOM 0 HA GLU A 40 12.987 6.376 4.518 1.00 55.05 H new ATOM 0 HB2 GLU A 40 15.377 4.902 3.337 1.00 2.33 H new ATOM 0 HB3 GLU A 40 14.285 5.922 2.421 1.00 2.33 H new ATOM 0 HG2 GLU A 40 14.939 7.855 3.907 1.00 71.54 H new ATOM 0 HG3 GLU A 40 16.121 6.813 4.673 1.00 71.54 H new ATOM 634 N ILE A 41 11.667 4.648 3.218 1.00 0.14 N ATOM 635 CA ILE A 41 10.694 3.638 2.788 1.00 33.55 C ATOM 636 C ILE A 41 10.868 3.258 1.308 1.00 12.15 C ATOM 637 O ILE A 41 11.161 4.106 0.465 1.00 13.22 O ATOM 638 CB ILE A 41 9.247 4.146 3.014 1.00 51.41 C ATOM 639 CG1 ILE A 41 9.064 4.607 4.467 1.00 3.23 C ATOM 640 CG2 ILE A 41 8.228 3.063 2.656 1.00 14.51 C ATOM 641 CD1 ILE A 41 7.701 5.198 4.752 1.00 60.55 C ATOM 0 H ILE A 41 11.434 5.601 2.938 1.00 0.14 H new ATOM 0 HA ILE A 41 10.875 2.749 3.393 1.00 33.55 H new ATOM 0 HB ILE A 41 9.075 4.999 2.357 1.00 51.41 H new ATOM 0 HG12 ILE A 41 9.228 3.758 5.131 1.00 3.23 H new ATOM 0 HG13 ILE A 41 9.828 5.348 4.702 1.00 3.23 H new ATOM 0 HG21 ILE A 41 7.220 3.443 2.823 1.00 14.51 H new ATOM 0 HG22 ILE A 41 8.343 2.787 1.608 1.00 14.51 H new ATOM 0 HG23 ILE A 41 8.394 2.186 3.282 1.00 14.51 H new ATOM 0 HD11 ILE A 41 7.647 5.500 5.798 1.00 60.55 H new ATOM 0 HD12 ILE A 41 7.541 6.067 4.114 1.00 60.55 H new ATOM 0 HD13 ILE A 41 6.932 4.453 4.550 1.00 60.55 H new ATOM 653 N LYS A 42 10.694 1.974 1.011 1.00 72.12 N ATOM 654 CA LYS A 42 10.704 1.476 -0.370 1.00 52.41 C ATOM 655 C LYS A 42 9.322 1.685 -1.012 1.00 62.30 C ATOM 656 O LYS A 42 9.200 2.232 -2.111 1.00 62.11 O ATOM 657 CB LYS A 42 11.073 -0.017 -0.375 1.00 60.32 C ATOM 658 CG LYS A 42 11.319 -0.612 -1.759 1.00 23.53 C ATOM 659 CD LYS A 42 12.573 -0.037 -2.410 1.00 23.01 C ATOM 660 CE LYS A 42 12.957 -0.804 -3.667 1.00 51.23 C ATOM 661 NZ LYS A 42 13.203 -2.244 -3.384 1.00 33.44 N ATOM 0 H LYS A 42 10.543 1.249 1.712 1.00 72.12 H new ATOM 0 HA LYS A 42 11.445 2.028 -0.949 1.00 52.41 H new ATOM 0 HB2 LYS A 42 11.969 -0.157 0.230 1.00 60.32 H new ATOM 0 HB3 LYS A 42 10.272 -0.576 0.108 1.00 60.32 H new ATOM 0 HG2 LYS A 42 11.416 -1.695 -1.677 1.00 23.53 H new ATOM 0 HG3 LYS A 42 10.457 -0.417 -2.397 1.00 23.53 H new ATOM 0 HD2 LYS A 42 12.406 1.011 -2.660 1.00 23.01 H new ATOM 0 HD3 LYS A 42 13.399 -0.067 -1.699 1.00 23.01 H new ATOM 0 HE2 LYS A 42 12.162 -0.710 -4.407 1.00 51.23 H new ATOM 0 HE3 LYS A 42 13.853 -0.361 -4.103 1.00 51.23 H new ATOM 0 HZ1 LYS A 42 13.787 -2.652 -4.141 1.00 33.44 H new ATOM 0 HZ2 LYS A 42 13.699 -2.339 -2.475 1.00 33.44 H new ATOM 0 HZ3 LYS A 42 12.295 -2.749 -3.338 1.00 33.44 H new ATOM 675 N GLU A 43 8.285 1.231 -0.302 1.00 12.31 N ATOM 676 CA GLU A 43 6.889 1.422 -0.716 1.00 3.42 C ATOM 677 C GLU A 43 5.920 1.111 0.446 1.00 15.01 C ATOM 678 O GLU A 43 6.286 0.440 1.414 1.00 44.32 O ATOM 679 CB GLU A 43 6.567 0.570 -1.960 1.00 51.11 C ATOM 680 CG GLU A 43 6.936 -0.905 -1.838 1.00 13.22 C ATOM 681 CD GLU A 43 6.772 -1.661 -3.152 1.00 42.20 C ATOM 682 OE1 GLU A 43 7.559 -1.406 -4.090 1.00 21.12 O ATOM 683 OE2 GLU A 43 5.861 -2.508 -3.257 1.00 32.21 O ATOM 0 H GLU A 43 8.388 0.721 0.575 1.00 12.31 H new ATOM 0 HA GLU A 43 6.753 2.469 -0.985 1.00 3.42 H new ATOM 0 HB2 GLU A 43 5.500 0.647 -2.170 1.00 51.11 H new ATOM 0 HB3 GLU A 43 7.092 0.992 -2.817 1.00 51.11 H new ATOM 0 HG2 GLU A 43 7.969 -0.991 -1.500 1.00 13.22 H new ATOM 0 HG3 GLU A 43 6.312 -1.370 -1.075 1.00 13.22 H new ATOM 690 N ARG A 44 4.693 1.623 0.355 1.00 44.44 N ATOM 691 CA ARG A 44 3.702 1.482 1.434 1.00 23.34 C ATOM 692 C ARG A 44 2.585 0.490 1.067 1.00 72.14 C ATOM 693 O ARG A 44 1.900 0.659 0.057 1.00 12.24 O ATOM 694 CB ARG A 44 3.090 2.854 1.762 1.00 63.31 C ATOM 695 CG ARG A 44 4.054 3.821 2.444 1.00 53.21 C ATOM 696 CD ARG A 44 3.428 5.207 2.633 1.00 62.45 C ATOM 697 NE ARG A 44 4.215 6.039 3.547 1.00 50.11 N ATOM 698 CZ ARG A 44 4.542 7.291 3.334 1.00 72.23 C ATOM 699 NH1 ARG A 44 4.239 7.889 2.220 1.00 4.25 N ATOM 700 NH2 ARG A 44 5.193 7.940 4.245 1.00 51.31 N ATOM 0 H ARG A 44 4.356 2.142 -0.456 1.00 44.44 H new ATOM 0 HA ARG A 44 4.221 1.087 2.307 1.00 23.34 H new ATOM 0 HB2 ARG A 44 2.729 3.308 0.839 1.00 63.31 H new ATOM 0 HB3 ARG A 44 2.223 2.708 2.406 1.00 63.31 H new ATOM 0 HG2 ARG A 44 4.347 3.419 3.414 1.00 53.21 H new ATOM 0 HG3 ARG A 44 4.962 3.910 1.848 1.00 53.21 H new ATOM 0 HD2 ARG A 44 3.348 5.704 1.666 1.00 62.45 H new ATOM 0 HD3 ARG A 44 2.415 5.099 3.021 1.00 62.45 H new ATOM 0 HE ARG A 44 4.533 5.611 4.417 1.00 50.11 H new ATOM 0 HH11 ARG A 44 3.737 7.384 1.490 1.00 4.25 H new ATOM 0 HH12 ARG A 44 4.503 8.864 2.076 1.00 4.25 H new ATOM 0 HH21 ARG A 44 5.447 7.477 5.118 1.00 51.31 H new ATOM 0 HH22 ARG A 44 5.453 8.914 4.090 1.00 51.31 H new ATOM 714 N THR A 45 2.397 -0.534 1.901 1.00 32.41 N ATOM 715 CA THR A 45 1.338 -1.534 1.690 1.00 44.32 C ATOM 716 C THR A 45 0.081 -1.199 2.506 1.00 73.15 C ATOM 717 O THR A 45 0.104 -1.226 3.739 1.00 50.13 O ATOM 718 CB THR A 45 1.812 -2.958 2.074 1.00 23.45 C ATOM 719 OG1 THR A 45 3.002 -3.295 1.351 1.00 44.53 O ATOM 720 CG2 THR A 45 0.734 -4.000 1.783 1.00 74.13 C ATOM 0 H THR A 45 2.964 -0.697 2.733 1.00 32.41 H new ATOM 0 HA THR A 45 1.099 -1.509 0.627 1.00 44.32 H new ATOM 0 HB THR A 45 2.018 -2.960 3.144 1.00 23.45 H new ATOM 0 HG1 THR A 45 3.294 -4.196 1.603 1.00 44.53 H new ATOM 0 HG21 THR A 45 1.098 -4.988 2.064 1.00 74.13 H new ATOM 0 HG22 THR A 45 -0.162 -3.767 2.358 1.00 74.13 H new ATOM 0 HG23 THR A 45 0.496 -3.990 0.719 1.00 74.13 H new ATOM 728 N TYR A 46 -1.013 -0.881 1.815 1.00 54.05 N ATOM 729 CA TYR A 46 -2.296 -0.578 2.462 1.00 71.50 C ATOM 730 C TYR A 46 -3.260 -1.773 2.403 1.00 10.22 C ATOM 731 O TYR A 46 -3.154 -2.631 1.523 1.00 50.51 O ATOM 732 CB TYR A 46 -2.952 0.641 1.803 1.00 44.51 C ATOM 733 CG TYR A 46 -2.178 1.930 1.986 1.00 51.32 C ATOM 734 CD1 TYR A 46 -1.065 2.215 1.202 1.00 43.11 C ATOM 735 CD2 TYR A 46 -2.565 2.869 2.936 1.00 2.33 C ATOM 736 CE1 TYR A 46 -0.365 3.394 1.360 1.00 23.03 C ATOM 737 CE2 TYR A 46 -1.870 4.047 3.100 1.00 20.32 C ATOM 738 CZ TYR A 46 -0.771 4.306 2.309 1.00 44.32 C ATOM 739 OH TYR A 46 -0.077 5.483 2.471 1.00 54.23 O ATOM 0 H TYR A 46 -1.039 -0.825 0.797 1.00 54.05 H new ATOM 0 HA TYR A 46 -2.087 -0.360 3.509 1.00 71.50 H new ATOM 0 HB2 TYR A 46 -3.068 0.447 0.737 1.00 44.51 H new ATOM 0 HB3 TYR A 46 -3.953 0.769 2.214 1.00 44.51 H new ATOM 0 HD1 TYR A 46 -0.743 1.502 0.457 1.00 43.11 H new ATOM 0 HD2 TYR A 46 -3.426 2.671 3.557 1.00 2.33 H new ATOM 0 HE1 TYR A 46 0.497 3.600 0.743 1.00 23.03 H new ATOM 0 HE2 TYR A 46 -2.184 4.764 3.844 1.00 20.32 H new ATOM 0 HH TYR A 46 -0.335 6.115 1.768 1.00 54.23 H new ATOM 749 N ASP A 47 -4.207 -1.806 3.337 1.00 34.11 N ATOM 750 CA ASP A 47 -5.205 -2.877 3.406 1.00 30.44 C ATOM 751 C ASP A 47 -6.528 -2.468 2.743 1.00 44.35 C ATOM 752 O ASP A 47 -7.200 -1.538 3.196 1.00 34.32 O ATOM 753 CB ASP A 47 -5.461 -3.255 4.866 1.00 1.35 C ATOM 754 CG ASP A 47 -4.370 -4.131 5.439 1.00 51.41 C ATOM 755 OD1 ASP A 47 -4.048 -5.156 4.805 1.00 72.55 O ATOM 756 OD2 ASP A 47 -3.851 -3.818 6.534 1.00 21.31 O ATOM 0 H ASP A 47 -4.307 -1.098 4.064 1.00 34.11 H new ATOM 0 HA ASP A 47 -4.807 -3.734 2.863 1.00 30.44 H new ATOM 0 HB2 ASP A 47 -5.544 -2.347 5.463 1.00 1.35 H new ATOM 0 HB3 ASP A 47 -6.416 -3.775 4.941 1.00 1.35 H new ATOM 761 N LEU A 48 -6.900 -3.175 1.676 1.00 15.03 N ATOM 762 CA LEU A 48 -8.173 -2.927 0.989 1.00 61.10 C ATOM 763 C LEU A 48 -9.074 -4.174 1.030 1.00 40.21 C ATOM 764 O LEU A 48 -8.657 -5.271 0.659 1.00 31.50 O ATOM 765 CB LEU A 48 -7.927 -2.497 -0.466 1.00 63.11 C ATOM 766 CG LEU A 48 -7.053 -1.243 -0.651 1.00 42.42 C ATOM 767 CD1 LEU A 48 -6.966 -0.861 -2.128 1.00 12.13 C ATOM 768 CD2 LEU A 48 -7.590 -0.075 0.174 1.00 73.13 C ATOM 0 H LEU A 48 -6.341 -3.924 1.267 1.00 15.03 H new ATOM 0 HA LEU A 48 -8.684 -2.118 1.511 1.00 61.10 H new ATOM 0 HB2 LEU A 48 -7.458 -3.326 -0.997 1.00 63.11 H new ATOM 0 HB3 LEU A 48 -8.892 -2.319 -0.941 1.00 63.11 H new ATOM 0 HG LEU A 48 -6.050 -1.476 -0.295 1.00 42.42 H new ATOM 0 HD11 LEU A 48 -6.344 0.027 -2.238 1.00 12.13 H new ATOM 0 HD12 LEU A 48 -6.526 -1.684 -2.691 1.00 12.13 H new ATOM 0 HD13 LEU A 48 -7.966 -0.654 -2.510 1.00 12.13 H new ATOM 0 HD21 LEU A 48 -6.955 0.798 0.025 1.00 73.13 H new ATOM 0 HD22 LEU A 48 -8.606 0.158 -0.143 1.00 73.13 H new ATOM 0 HD23 LEU A 48 -7.593 -0.346 1.230 1.00 73.13 H new ATOM 780 N LYS A 49 -10.306 -3.997 1.501 1.00 72.01 N ATOM 781 CA LYS A 49 -11.282 -5.092 1.569 1.00 22.04 C ATOM 782 C LYS A 49 -12.339 -4.965 0.464 1.00 64.21 C ATOM 783 O LYS A 49 -13.115 -4.007 0.435 1.00 25.31 O ATOM 784 CB LYS A 49 -11.962 -5.118 2.955 1.00 41.43 C ATOM 785 CG LYS A 49 -11.523 -6.279 3.847 1.00 3.34 C ATOM 786 CD LYS A 49 -10.019 -6.284 4.099 1.00 3.41 C ATOM 787 CE LYS A 49 -9.548 -5.033 4.835 1.00 13.40 C ATOM 788 NZ LYS A 49 -8.108 -5.108 5.183 1.00 62.23 N ATOM 0 H LYS A 49 -10.657 -3.103 1.844 1.00 72.01 H new ATOM 0 HA LYS A 49 -10.746 -6.029 1.418 1.00 22.04 H new ATOM 0 HB2 LYS A 49 -11.751 -4.180 3.469 1.00 41.43 H new ATOM 0 HB3 LYS A 49 -13.042 -5.169 2.816 1.00 41.43 H new ATOM 0 HG2 LYS A 49 -12.048 -6.219 4.800 1.00 3.34 H new ATOM 0 HG3 LYS A 49 -11.814 -7.221 3.382 1.00 3.34 H new ATOM 0 HD2 LYS A 49 -9.754 -7.166 4.682 1.00 3.41 H new ATOM 0 HD3 LYS A 49 -9.494 -6.361 3.147 1.00 3.41 H new ATOM 0 HE2 LYS A 49 -9.726 -4.156 4.212 1.00 13.40 H new ATOM 0 HE3 LYS A 49 -10.135 -4.903 5.744 1.00 13.40 H new ATOM 0 HZ1 LYS A 49 -7.830 -4.248 5.697 1.00 62.23 H new ATOM 0 HZ2 LYS A 49 -7.939 -5.940 5.784 1.00 62.23 H new ATOM 0 HZ3 LYS A 49 -7.544 -5.189 4.313 1.00 62.23 H new ATOM 802 N SER A 50 -12.361 -5.930 -0.449 1.00 15.12 N ATOM 803 CA SER A 50 -13.353 -5.942 -1.529 1.00 34.43 C ATOM 804 C SER A 50 -14.695 -6.485 -1.029 1.00 65.14 C ATOM 805 O SER A 50 -14.848 -7.684 -0.809 1.00 22.42 O ATOM 806 CB SER A 50 -12.858 -6.785 -2.715 1.00 51.43 C ATOM 807 OG SER A 50 -12.693 -8.148 -2.358 1.00 52.14 O ATOM 0 H SER A 50 -11.708 -6.713 -0.467 1.00 15.12 H new ATOM 0 HA SER A 50 -13.493 -4.914 -1.864 1.00 34.43 H new ATOM 0 HB2 SER A 50 -13.569 -6.708 -3.538 1.00 51.43 H new ATOM 0 HB3 SER A 50 -11.910 -6.386 -3.074 1.00 51.43 H new ATOM 0 HG SER A 50 -12.044 -8.218 -1.627 1.00 52.14 H new ATOM 866 N ARG A 55 -13.105 -10.539 -0.621 1.00 31.12 N ATOM 867 CA ARG A 55 -11.732 -11.010 -0.362 1.00 70.10 C ATOM 868 C ARG A 55 -10.789 -9.865 0.049 1.00 70.34 C ATOM 869 O ARG A 55 -11.060 -8.686 -0.208 1.00 50.42 O ATOM 870 CB ARG A 55 -11.156 -11.725 -1.596 1.00 45.41 C ATOM 871 CG ARG A 55 -11.990 -12.907 -2.089 1.00 14.51 C ATOM 872 CD ARG A 55 -11.186 -13.821 -3.010 1.00 44.35 C ATOM 873 NE ARG A 55 -10.083 -14.470 -2.298 1.00 71.11 N ATOM 874 CZ ARG A 55 -8.834 -14.464 -2.690 1.00 75.43 C ATOM 875 NH1 ARG A 55 -8.483 -13.867 -3.782 1.00 43.11 N ATOM 876 NH2 ARG A 55 -7.932 -15.050 -1.975 1.00 23.10 N ATOM 0 HA ARG A 55 -11.798 -11.711 0.470 1.00 70.10 H new ATOM 0 HB2 ARG A 55 -11.058 -11.003 -2.406 1.00 45.41 H new ATOM 0 HB3 ARG A 55 -10.152 -12.078 -1.360 1.00 45.41 H new ATOM 0 HG2 ARG A 55 -12.352 -13.479 -1.234 1.00 14.51 H new ATOM 0 HG3 ARG A 55 -12.868 -12.537 -2.619 1.00 14.51 H new ATOM 0 HD2 ARG A 55 -11.843 -14.581 -3.434 1.00 44.35 H new ATOM 0 HD3 ARG A 55 -10.790 -13.241 -3.844 1.00 44.35 H new ATOM 0 HE ARG A 55 -10.304 -14.963 -1.433 1.00 71.11 H new ATOM 0 HH11 ARG A 55 -9.183 -13.392 -4.351 1.00 43.11 H new ATOM 0 HH12 ARG A 55 -7.506 -13.871 -4.074 1.00 43.11 H new ATOM 0 HH21 ARG A 55 -8.193 -15.517 -1.106 1.00 23.10 H new ATOM 0 HH22 ARG A 55 -6.958 -15.046 -2.279 1.00 23.10 H new ATOM 890 N MET A 56 -9.674 -10.233 0.680 1.00 4.23 N ATOM 891 CA MET A 56 -8.653 -9.271 1.116 1.00 52.03 C ATOM 892 C MET A 56 -7.529 -9.130 0.079 1.00 41.55 C ATOM 893 O MET A 56 -7.017 -10.125 -0.437 1.00 63.13 O ATOM 894 CB MET A 56 -8.049 -9.713 2.462 1.00 64.12 C ATOM 895 CG MET A 56 -9.028 -9.671 3.627 1.00 51.33 C ATOM 896 SD MET A 56 -10.499 -10.675 3.350 1.00 55.42 S ATOM 897 CE MET A 56 -11.442 -10.308 4.828 1.00 23.04 C ATOM 0 H MET A 56 -9.450 -11.203 0.904 1.00 4.23 H new ATOM 0 HA MET A 56 -9.142 -8.303 1.228 1.00 52.03 H new ATOM 0 HB2 MET A 56 -7.666 -10.728 2.360 1.00 64.12 H new ATOM 0 HB3 MET A 56 -7.198 -9.073 2.694 1.00 64.12 H new ATOM 0 HG2 MET A 56 -8.524 -10.016 4.530 1.00 51.33 H new ATOM 0 HG3 MET A 56 -9.328 -8.638 3.805 1.00 51.33 H new ATOM 0 HE1 MET A 56 -12.384 -10.857 4.804 1.00 23.04 H new ATOM 0 HE2 MET A 56 -10.871 -10.605 5.707 1.00 23.04 H new ATOM 0 HE3 MET A 56 -11.647 -9.238 4.873 1.00 23.04 H new ATOM 907 N ILE A 57 -7.154 -7.891 -0.234 1.00 15.32 N ATOM 908 CA ILE A 57 -6.009 -7.623 -1.117 1.00 32.10 C ATOM 909 C ILE A 57 -5.006 -6.668 -0.448 1.00 25.24 C ATOM 910 O ILE A 57 -5.402 -5.732 0.262 1.00 74.45 O ATOM 911 CB ILE A 57 -6.455 -7.017 -2.478 1.00 22.42 C ATOM 912 CG1 ILE A 57 -7.273 -5.731 -2.260 1.00 52.41 C ATOM 913 CG2 ILE A 57 -7.250 -8.038 -3.292 1.00 25.43 C ATOM 914 CD1 ILE A 57 -7.701 -5.048 -3.545 1.00 62.02 C ATOM 0 H ILE A 57 -7.624 -7.053 0.109 1.00 15.32 H new ATOM 0 HA ILE A 57 -5.530 -8.584 -1.303 1.00 32.10 H new ATOM 0 HB ILE A 57 -5.561 -6.757 -3.044 1.00 22.42 H new ATOM 0 HG12 ILE A 57 -8.161 -5.972 -1.675 1.00 52.41 H new ATOM 0 HG13 ILE A 57 -6.682 -5.032 -1.668 1.00 52.41 H new ATOM 0 HG21 ILE A 57 -7.552 -7.592 -4.240 1.00 25.43 H new ATOM 0 HG22 ILE A 57 -6.629 -8.913 -3.484 1.00 25.43 H new ATOM 0 HG23 ILE A 57 -8.137 -8.338 -2.733 1.00 25.43 H new ATOM 0 HD11 ILE A 57 -8.272 -4.151 -3.307 1.00 62.02 H new ATOM 0 HD12 ILE A 57 -6.818 -4.774 -4.123 1.00 62.02 H new ATOM 0 HD13 ILE A 57 -8.320 -5.728 -4.130 1.00 62.02 H new ATOM 926 N GLN A 58 -3.710 -6.915 -0.653 1.00 22.32 N ATOM 927 CA GLN A 58 -2.669 -6.008 -0.143 1.00 3.20 C ATOM 928 C GLN A 58 -2.067 -5.173 -1.281 1.00 40.22 C ATOM 929 O GLN A 58 -1.374 -5.695 -2.152 1.00 52.30 O ATOM 930 CB GLN A 58 -1.561 -6.782 0.592 1.00 75.14 C ATOM 931 CG GLN A 58 -2.027 -7.482 1.870 1.00 30.12 C ATOM 932 CD GLN A 58 -0.875 -8.018 2.713 1.00 73.40 C ATOM 933 OE1 GLN A 58 0.219 -7.459 2.722 1.00 1.24 O ATOM 934 NE2 GLN A 58 -1.106 -9.102 3.429 1.00 2.21 N ATOM 0 H GLN A 58 -3.355 -7.725 -1.162 1.00 22.32 H new ATOM 0 HA GLN A 58 -3.143 -5.335 0.571 1.00 3.20 H new ATOM 0 HB2 GLN A 58 -1.143 -7.527 -0.085 1.00 75.14 H new ATOM 0 HB3 GLN A 58 -0.756 -6.091 0.842 1.00 75.14 H new ATOM 0 HG2 GLN A 58 -2.612 -6.783 2.468 1.00 30.12 H new ATOM 0 HG3 GLN A 58 -2.689 -8.306 1.605 1.00 30.12 H new ATOM 0 HE21 GLN A 58 -2.024 -9.545 3.402 1.00 2.21 H new ATOM 0 HE22 GLN A 58 -0.366 -9.497 4.010 1.00 2.21 H new ATOM 943 N VAL A 59 -2.338 -3.871 -1.266 1.00 40.40 N ATOM 944 CA VAL A 59 -1.868 -2.966 -2.322 1.00 0.34 C ATOM 945 C VAL A 59 -0.645 -2.155 -1.864 1.00 62.43 C ATOM 946 O VAL A 59 -0.609 -1.670 -0.739 1.00 51.34 O ATOM 947 CB VAL A 59 -2.997 -1.995 -2.755 1.00 54.35 C ATOM 948 CG1 VAL A 59 -2.502 -0.996 -3.801 1.00 25.33 C ATOM 949 CG2 VAL A 59 -4.197 -2.777 -3.281 1.00 12.15 C ATOM 0 H VAL A 59 -2.882 -3.414 -0.534 1.00 40.40 H new ATOM 0 HA VAL A 59 -1.577 -3.584 -3.171 1.00 0.34 H new ATOM 0 HB VAL A 59 -3.307 -1.427 -1.878 1.00 54.35 H new ATOM 0 HG11 VAL A 59 -3.318 -0.330 -4.083 1.00 25.33 H new ATOM 0 HG12 VAL A 59 -1.682 -0.410 -3.385 1.00 25.33 H new ATOM 0 HG13 VAL A 59 -2.152 -1.535 -4.682 1.00 25.33 H new ATOM 0 HG21 VAL A 59 -4.981 -2.082 -3.581 1.00 12.15 H new ATOM 0 HG22 VAL A 59 -3.893 -3.375 -4.141 1.00 12.15 H new ATOM 0 HG23 VAL A 59 -4.575 -3.434 -2.498 1.00 12.15 H new ATOM 959 N SER A 60 0.351 -2.009 -2.738 1.00 11.52 N ATOM 960 CA SER A 60 1.572 -1.257 -2.400 1.00 61.22 C ATOM 961 C SER A 60 1.852 -0.129 -3.406 1.00 1.40 C ATOM 962 O SER A 60 1.863 -0.342 -4.620 1.00 51.53 O ATOM 963 CB SER A 60 2.783 -2.199 -2.318 1.00 44.41 C ATOM 964 OG SER A 60 3.046 -2.833 -3.563 1.00 44.25 O ATOM 0 H SER A 60 0.342 -2.397 -3.681 1.00 11.52 H new ATOM 0 HA SER A 60 1.406 -0.799 -1.425 1.00 61.22 H new ATOM 0 HB2 SER A 60 3.661 -1.635 -2.005 1.00 44.41 H new ATOM 0 HB3 SER A 60 2.603 -2.957 -1.556 1.00 44.41 H new ATOM 0 HG SER A 60 4.012 -2.842 -3.728 1.00 44.25 H new ATOM 970 N ILE A 61 2.068 1.077 -2.881 1.00 14.15 N ATOM 971 CA ILE A 61 2.385 2.255 -3.700 1.00 34.23 C ATOM 972 C ILE A 61 3.768 2.818 -3.330 1.00 72.11 C ATOM 973 O ILE A 61 4.232 2.636 -2.205 1.00 60.55 O ATOM 974 CB ILE A 61 1.312 3.365 -3.529 1.00 43.13 C ATOM 975 CG1 ILE A 61 1.202 3.795 -2.053 1.00 35.11 C ATOM 976 CG2 ILE A 61 -0.038 2.883 -4.053 1.00 45.11 C ATOM 977 CD1 ILE A 61 0.180 4.886 -1.805 1.00 61.25 C ATOM 0 H ILE A 61 2.029 1.268 -1.880 1.00 14.15 H new ATOM 0 HA ILE A 61 2.394 1.935 -4.742 1.00 34.23 H new ATOM 0 HB ILE A 61 1.618 4.234 -4.112 1.00 43.13 H new ATOM 0 HG12 ILE A 61 0.943 2.925 -1.450 1.00 35.11 H new ATOM 0 HG13 ILE A 61 2.178 4.141 -1.712 1.00 35.11 H new ATOM 0 HG21 ILE A 61 -0.780 3.671 -3.927 1.00 45.11 H new ATOM 0 HG22 ILE A 61 0.050 2.634 -5.110 1.00 45.11 H new ATOM 0 HG23 ILE A 61 -0.350 1.999 -3.497 1.00 45.11 H new ATOM 0 HD11 ILE A 61 0.162 5.133 -0.744 1.00 61.25 H new ATOM 0 HD12 ILE A 61 0.448 5.773 -2.380 1.00 61.25 H new ATOM 0 HD13 ILE A 61 -0.806 4.538 -2.113 1.00 61.25 H new ATOM 989 N PRO A 62 4.456 3.513 -4.264 1.00 2.15 N ATOM 990 CA PRO A 62 5.812 4.047 -4.015 1.00 51.25 C ATOM 991 C PRO A 62 5.874 5.033 -2.831 1.00 15.21 C ATOM 992 O PRO A 62 4.894 5.707 -2.511 1.00 70.41 O ATOM 993 CB PRO A 62 6.170 4.760 -5.334 1.00 43.32 C ATOM 994 CG PRO A 62 4.865 4.988 -6.018 1.00 72.11 C ATOM 995 CD PRO A 62 3.983 3.836 -5.620 1.00 34.10 C ATOM 0 HA PRO A 62 6.504 3.251 -3.740 1.00 51.25 H new ATOM 0 HB2 PRO A 62 6.686 5.701 -5.146 1.00 43.32 H new ATOM 0 HB3 PRO A 62 6.834 4.149 -5.945 1.00 43.32 H new ATOM 0 HG2 PRO A 62 4.426 5.939 -5.715 1.00 72.11 H new ATOM 0 HG3 PRO A 62 4.993 5.026 -7.100 1.00 72.11 H new ATOM 0 HD2 PRO A 62 2.929 4.114 -5.625 1.00 34.10 H new ATOM 0 HD3 PRO A 62 4.093 2.990 -6.298 1.00 34.10 H new ATOM 1003 N ALA A 63 7.048 5.129 -2.198 1.00 71.34 N ATOM 1004 CA ALA A 63 7.240 6.006 -1.035 1.00 11.53 C ATOM 1005 C ALA A 63 7.032 7.488 -1.386 1.00 2.12 C ATOM 1006 O ALA A 63 6.843 8.326 -0.506 1.00 63.41 O ATOM 1007 CB ALA A 63 8.630 5.797 -0.444 1.00 34.31 C ATOM 0 H ALA A 63 7.882 4.609 -2.471 1.00 71.34 H new ATOM 0 HA ALA A 63 6.485 5.737 -0.296 1.00 11.53 H new ATOM 0 HB1 ALA A 63 8.761 6.452 0.417 1.00 34.31 H new ATOM 0 HB2 ALA A 63 8.740 4.759 -0.130 1.00 34.31 H new ATOM 0 HB3 ALA A 63 9.384 6.031 -1.196 1.00 34.31 H new ATOM 1013 N SER A 64 7.065 7.801 -2.680 1.00 44.30 N ATOM 1014 CA SER A 64 6.833 9.168 -3.162 1.00 74.42 C ATOM 1015 C SER A 64 5.392 9.622 -2.900 1.00 21.40 C ATOM 1016 O SER A 64 5.093 10.816 -2.920 1.00 75.33 O ATOM 1017 CB SER A 64 7.129 9.256 -4.661 1.00 23.03 C ATOM 1018 OG SER A 64 6.324 8.345 -5.393 1.00 73.23 O ATOM 0 H SER A 64 7.251 7.124 -3.420 1.00 44.30 H new ATOM 0 HA SER A 64 7.505 9.828 -2.613 1.00 74.42 H new ATOM 0 HB2 SER A 64 6.946 10.272 -5.012 1.00 23.03 H new ATOM 0 HB3 SER A 64 8.182 9.041 -4.840 1.00 23.03 H new ATOM 0 HG SER A 64 6.530 8.421 -6.348 1.00 73.23 H new ATOM 1024 N VAL A 65 4.500 8.664 -2.666 1.00 3.11 N ATOM 1025 CA VAL A 65 3.088 8.960 -2.402 1.00 72.15 C ATOM 1026 C VAL A 65 2.802 9.024 -0.885 1.00 60.11 C ATOM 1027 O VAL A 65 3.081 8.071 -0.151 1.00 74.20 O ATOM 1028 CB VAL A 65 2.170 7.898 -3.053 1.00 40.44 C ATOM 1029 CG1 VAL A 65 0.703 8.306 -2.948 1.00 34.02 C ATOM 1030 CG2 VAL A 65 2.566 7.665 -4.511 1.00 63.43 C ATOM 0 H VAL A 65 4.728 7.670 -2.653 1.00 3.11 H new ATOM 0 HA VAL A 65 2.876 9.935 -2.841 1.00 72.15 H new ATOM 0 HB VAL A 65 2.297 6.961 -2.510 1.00 40.44 H new ATOM 0 HG11 VAL A 65 0.079 7.543 -3.413 1.00 34.02 H new ATOM 0 HG12 VAL A 65 0.428 8.409 -1.898 1.00 34.02 H new ATOM 0 HG13 VAL A 65 0.553 9.258 -3.458 1.00 34.02 H new ATOM 0 HG21 VAL A 65 1.909 6.915 -4.951 1.00 63.43 H new ATOM 0 HG22 VAL A 65 2.475 8.598 -5.066 1.00 63.43 H new ATOM 0 HG23 VAL A 65 3.597 7.315 -4.556 1.00 63.43 H new ATOM 1040 N PRO A 66 2.239 10.153 -0.397 1.00 14.42 N ATOM 1041 CA PRO A 66 1.967 10.361 1.044 1.00 23.13 C ATOM 1042 C PRO A 66 0.842 9.469 1.609 1.00 13.33 C ATOM 1043 O PRO A 66 0.106 8.817 0.866 1.00 61.11 O ATOM 1044 CB PRO A 66 1.559 11.841 1.111 1.00 50.30 C ATOM 1045 CG PRO A 66 1.002 12.133 -0.242 1.00 51.30 C ATOM 1046 CD PRO A 66 1.832 11.324 -1.202 1.00 3.11 C ATOM 0 HA PRO A 66 2.836 10.099 1.647 1.00 23.13 H new ATOM 0 HB2 PRO A 66 0.818 12.014 1.892 1.00 50.30 H new ATOM 0 HB3 PRO A 66 2.414 12.479 1.335 1.00 50.30 H new ATOM 0 HG2 PRO A 66 -0.050 11.854 -0.302 1.00 51.30 H new ATOM 0 HG3 PRO A 66 1.063 13.197 -0.470 1.00 51.30 H new ATOM 0 HD2 PRO A 66 1.258 11.028 -2.080 1.00 3.11 H new ATOM 0 HD3 PRO A 66 2.695 11.886 -1.560 1.00 3.11 H new ATOM 1054 N LEU A 67 0.715 9.462 2.938 1.00 44.00 N ATOM 1055 CA LEU A 67 -0.301 8.663 3.633 1.00 32.12 C ATOM 1056 C LEU A 67 -1.715 9.230 3.410 1.00 51.42 C ATOM 1057 O LEU A 67 -1.958 10.423 3.606 1.00 73.32 O ATOM 1058 CB LEU A 67 0.017 8.622 5.136 1.00 60.32 C ATOM 1059 CG LEU A 67 -0.953 7.800 6.003 1.00 42.52 C ATOM 1060 CD1 LEU A 67 -0.897 6.324 5.627 1.00 23.43 C ATOM 1061 CD2 LEU A 67 -0.644 7.998 7.486 1.00 35.12 C ATOM 0 H LEU A 67 1.310 10.007 3.562 1.00 44.00 H new ATOM 0 HA LEU A 67 -0.279 7.653 3.223 1.00 32.12 H new ATOM 0 HB2 LEU A 67 1.021 8.218 5.265 1.00 60.32 H new ATOM 0 HB3 LEU A 67 0.034 9.645 5.513 1.00 60.32 H new ATOM 0 HG LEU A 67 -1.966 8.155 5.816 1.00 42.52 H new ATOM 0 HD11 LEU A 67 -1.591 5.763 6.253 1.00 23.43 H new ATOM 0 HD12 LEU A 67 -1.175 6.205 4.580 1.00 23.43 H new ATOM 0 HD13 LEU A 67 0.115 5.948 5.779 1.00 23.43 H new ATOM 0 HD21 LEU A 67 -1.340 7.409 8.084 1.00 35.12 H new ATOM 0 HD22 LEU A 67 0.376 7.674 7.692 1.00 35.12 H new ATOM 0 HD23 LEU A 67 -0.748 9.052 7.742 1.00 35.12 H new ATOM 1073 N LYS A 68 -2.646 8.372 2.993 1.00 14.12 N ATOM 1074 CA LYS A 68 -4.033 8.793 2.768 1.00 24.33 C ATOM 1075 C LYS A 68 -4.876 8.729 4.049 1.00 23.33 C ATOM 1076 O LYS A 68 -5.130 7.654 4.594 1.00 53.44 O ATOM 1077 CB LYS A 68 -4.699 7.950 1.671 1.00 14.35 C ATOM 1078 CG LYS A 68 -4.299 8.357 0.254 1.00 71.32 C ATOM 1079 CD LYS A 68 -2.901 7.883 -0.119 1.00 55.44 C ATOM 1080 CE LYS A 68 -2.366 8.626 -1.337 1.00 63.23 C ATOM 1081 NZ LYS A 68 -3.374 8.732 -2.427 1.00 43.20 N ATOM 0 H LYS A 68 -2.469 7.385 2.804 1.00 14.12 H new ATOM 0 HA LYS A 68 -3.989 9.833 2.444 1.00 24.33 H new ATOM 0 HB2 LYS A 68 -4.442 6.902 1.824 1.00 14.35 H new ATOM 0 HB3 LYS A 68 -5.781 8.030 1.770 1.00 14.35 H new ATOM 0 HG2 LYS A 68 -5.019 7.947 -0.455 1.00 71.32 H new ATOM 0 HG3 LYS A 68 -4.347 9.442 0.165 1.00 71.32 H new ATOM 0 HD2 LYS A 68 -2.228 8.033 0.725 1.00 55.44 H new ATOM 0 HD3 LYS A 68 -2.921 6.813 -0.324 1.00 55.44 H new ATOM 0 HE2 LYS A 68 -2.051 9.626 -1.039 1.00 63.23 H new ATOM 0 HE3 LYS A 68 -1.482 8.112 -1.713 1.00 63.23 H new ATOM 0 HZ1 LYS A 68 -2.889 8.756 -3.347 1.00 43.20 H new ATOM 0 HZ2 LYS A 68 -4.010 7.910 -2.392 1.00 43.20 H new ATOM 0 HZ3 LYS A 68 -3.927 9.604 -2.304 1.00 43.20 H new ATOM 1095 N GLU A 69 -5.317 9.894 4.507 1.00 35.52 N ATOM 1096 CA GLU A 69 -6.188 10.008 5.678 1.00 43.12 C ATOM 1097 C GLU A 69 -7.656 9.700 5.314 1.00 33.40 C ATOM 1098 O GLU A 69 -8.568 10.481 5.616 1.00 52.02 O ATOM 1099 CB GLU A 69 -6.075 11.428 6.249 1.00 61.20 C ATOM 1100 CG GLU A 69 -4.651 11.852 6.608 1.00 52.51 C ATOM 1101 CD GLU A 69 -4.088 11.102 7.805 1.00 13.41 C ATOM 1102 OE1 GLU A 69 -4.426 11.468 8.952 1.00 43.12 O ATOM 1103 OE2 GLU A 69 -3.289 10.164 7.615 1.00 52.54 O ATOM 0 H GLU A 69 -5.082 10.790 4.079 1.00 35.52 H new ATOM 0 HA GLU A 69 -5.870 9.280 6.424 1.00 43.12 H new ATOM 0 HB2 GLU A 69 -6.478 12.132 5.522 1.00 61.20 H new ATOM 0 HB3 GLU A 69 -6.698 11.499 7.141 1.00 61.20 H new ATOM 0 HG2 GLU A 69 -4.002 11.689 5.747 1.00 52.51 H new ATOM 0 HG3 GLU A 69 -4.639 12.921 6.819 1.00 52.51 H new ATOM 1110 N PHE A 70 -7.881 8.553 4.668 1.00 20.43 N ATOM 1111 CA PHE A 70 -9.221 8.168 4.206 1.00 44.40 C ATOM 1112 C PHE A 70 -10.104 7.660 5.354 1.00 62.12 C ATOM 1113 O PHE A 70 -9.612 7.241 6.404 1.00 31.31 O ATOM 1114 CB PHE A 70 -9.136 7.089 3.110 1.00 72.43 C ATOM 1115 CG PHE A 70 -8.635 7.583 1.771 1.00 71.40 C ATOM 1116 CD1 PHE A 70 -8.637 8.937 1.456 1.00 75.11 C ATOM 1117 CD2 PHE A 70 -8.177 6.683 0.818 1.00 35.22 C ATOM 1118 CE1 PHE A 70 -8.200 9.378 0.223 1.00 64.24 C ATOM 1119 CE2 PHE A 70 -7.736 7.121 -0.416 1.00 10.21 C ATOM 1120 CZ PHE A 70 -7.744 8.470 -0.714 1.00 2.32 C ATOM 0 H PHE A 70 -7.153 7.872 4.452 1.00 20.43 H new ATOM 0 HA PHE A 70 -9.680 9.068 3.796 1.00 44.40 H new ATOM 0 HB2 PHE A 70 -8.479 6.291 3.456 1.00 72.43 H new ATOM 0 HB3 PHE A 70 -10.125 6.651 2.973 1.00 72.43 H new ATOM 0 HD1 PHE A 70 -8.985 9.653 2.185 1.00 75.11 H new ATOM 0 HD2 PHE A 70 -8.165 5.627 1.044 1.00 35.22 H new ATOM 0 HE1 PHE A 70 -8.214 10.433 -0.009 1.00 64.24 H new ATOM 0 HE2 PHE A 70 -7.385 6.409 -1.148 1.00 10.21 H new ATOM 0 HZ PHE A 70 -7.395 8.814 -1.676 1.00 2.32 H new ATOM 1130 N ASP A 71 -11.418 7.701 5.139 1.00 12.30 N ATOM 1131 CA ASP A 71 -12.387 7.225 6.131 1.00 50.22 C ATOM 1132 C ASP A 71 -12.464 5.684 6.146 1.00 32.12 C ATOM 1133 O ASP A 71 -12.278 5.028 5.114 1.00 63.00 O ATOM 1134 CB ASP A 71 -13.769 7.818 5.837 1.00 62.24 C ATOM 1135 CG ASP A 71 -13.730 9.332 5.710 1.00 20.51 C ATOM 1136 OD1 ASP A 71 -13.660 10.021 6.747 1.00 44.43 O ATOM 1137 OD2 ASP A 71 -13.768 9.842 4.569 1.00 54.23 O ATOM 0 H ASP A 71 -11.840 8.061 4.283 1.00 12.30 H new ATOM 0 HA ASP A 71 -12.054 7.554 7.115 1.00 50.22 H new ATOM 0 HB2 ASP A 71 -14.158 7.388 4.914 1.00 62.24 H new ATOM 0 HB3 ASP A 71 -14.459 7.540 6.634 1.00 62.24 H new ATOM 1142 N TYR A 72 -12.740 5.113 7.316 1.00 14.41 N ATOM 1143 CA TYR A 72 -12.828 3.656 7.468 1.00 14.25 C ATOM 1144 C TYR A 72 -13.924 3.058 6.563 1.00 4.24 C ATOM 1145 O TYR A 72 -15.100 3.405 6.681 1.00 62.32 O ATOM 1146 CB TYR A 72 -13.095 3.287 8.936 1.00 2.24 C ATOM 1147 CG TYR A 72 -13.059 1.793 9.214 1.00 74.41 C ATOM 1148 CD1 TYR A 72 -11.862 1.088 9.160 1.00 73.43 C ATOM 1149 CD2 TYR A 72 -14.222 1.088 9.523 1.00 30.32 C ATOM 1150 CE1 TYR A 72 -11.821 -0.270 9.406 1.00 43.03 C ATOM 1151 CE2 TYR A 72 -14.186 -0.273 9.772 1.00 74.11 C ATOM 1152 CZ TYR A 72 -12.984 -0.947 9.712 1.00 31.21 C ATOM 1153 OH TYR A 72 -12.939 -2.304 9.956 1.00 14.43 O ATOM 0 H TYR A 72 -12.907 5.635 8.176 1.00 14.41 H new ATOM 0 HA TYR A 72 -11.872 3.233 7.161 1.00 14.25 H new ATOM 0 HB2 TYR A 72 -12.354 3.781 9.565 1.00 2.24 H new ATOM 0 HB3 TYR A 72 -14.071 3.677 9.226 1.00 2.24 H new ATOM 0 HD1 TYR A 72 -10.948 1.612 8.921 1.00 73.43 H new ATOM 0 HD2 TYR A 72 -15.165 1.612 9.569 1.00 30.32 H new ATOM 0 HE1 TYR A 72 -10.882 -0.801 9.359 1.00 43.03 H new ATOM 0 HE2 TYR A 72 -15.095 -0.805 10.012 1.00 74.11 H new ATOM 0 HH TYR A 72 -13.841 -2.630 10.158 1.00 14.43 H new ATOM 1163 N ASN A 73 -13.511 2.172 5.653 1.00 14.23 N ATOM 1164 CA ASN A 73 -14.422 1.487 4.718 1.00 53.53 C ATOM 1165 C ASN A 73 -14.957 2.429 3.625 1.00 23.33 C ATOM 1166 O ASN A 73 -16.012 2.184 3.036 1.00 32.21 O ATOM 1167 CB ASN A 73 -15.574 0.786 5.465 1.00 1.05 C ATOM 1168 CG ASN A 73 -15.118 -0.479 6.177 1.00 72.31 C ATOM 1169 OD1 ASN A 73 -13.871 -0.518 6.599 1.00 53.15 O flip ATOM 1170 ND2 ASN A 73 -15.881 -1.428 6.337 1.00 1.24 N flip ATOM 0 H ASN A 73 -12.533 1.905 5.540 1.00 14.23 H new ATOM 0 HA ASN A 73 -13.834 0.720 4.214 1.00 53.53 H new ATOM 0 HB2 ASN A 73 -16.004 1.474 6.193 1.00 1.05 H new ATOM 0 HB3 ASN A 73 -16.364 0.536 4.757 1.00 1.05 H new ATOM 0 HD21 ASN A 73 -16.842 -1.372 6.001 1.00 1.24 H new ATOM 0 HD22 ASN A 73 -15.553 -2.272 6.806 1.00 1.24 H new ATOM 1177 N ALA A 74 -14.209 3.489 3.336 1.00 24.31 N ATOM 1178 CA ALA A 74 -14.510 4.352 2.190 1.00 41.41 C ATOM 1179 C ALA A 74 -14.129 3.655 0.874 1.00 52.31 C ATOM 1180 O ALA A 74 -13.075 3.021 0.784 1.00 44.41 O ATOM 1181 CB ALA A 74 -13.776 5.685 2.320 1.00 33.05 C ATOM 0 H ALA A 74 -13.391 3.774 3.875 1.00 24.31 H new ATOM 0 HA ALA A 74 -15.582 4.547 2.178 1.00 41.41 H new ATOM 0 HB1 ALA A 74 -14.010 6.314 1.461 1.00 33.05 H new ATOM 0 HB2 ALA A 74 -14.092 6.187 3.235 1.00 33.05 H new ATOM 0 HB3 ALA A 74 -12.701 5.507 2.357 1.00 33.05 H new ATOM 1187 N ARG A 75 -14.991 3.762 -0.134 1.00 74.12 N ATOM 1188 CA ARG A 75 -14.736 3.139 -1.437 1.00 11.01 C ATOM 1189 C ARG A 75 -13.540 3.794 -2.149 1.00 34.34 C ATOM 1190 O ARG A 75 -13.501 5.013 -2.323 1.00 12.41 O ATOM 1191 CB ARG A 75 -15.995 3.210 -2.313 1.00 64.01 C ATOM 1192 CG ARG A 75 -17.164 2.393 -1.767 1.00 32.32 C ATOM 1193 CD ARG A 75 -18.417 2.538 -2.624 1.00 14.13 C ATOM 1194 NE ARG A 75 -18.915 3.912 -2.649 1.00 22.14 N ATOM 1195 CZ ARG A 75 -19.918 4.343 -1.933 1.00 0.01 C ATOM 1196 NH1 ARG A 75 -20.505 3.564 -1.081 1.00 65.24 N ATOM 1197 NH2 ARG A 75 -20.329 5.560 -2.060 1.00 61.34 N ATOM 0 H ARG A 75 -15.872 4.273 -0.077 1.00 74.12 H new ATOM 0 HA ARG A 75 -14.483 2.092 -1.268 1.00 11.01 H new ATOM 0 HB2 ARG A 75 -16.303 4.251 -2.409 1.00 64.01 H new ATOM 0 HB3 ARG A 75 -15.751 2.856 -3.315 1.00 64.01 H new ATOM 0 HG2 ARG A 75 -16.879 1.342 -1.718 1.00 32.32 H new ATOM 0 HG3 ARG A 75 -17.384 2.712 -0.748 1.00 32.32 H new ATOM 0 HD2 ARG A 75 -18.198 2.214 -3.642 1.00 14.13 H new ATOM 0 HD3 ARG A 75 -19.195 1.878 -2.240 1.00 14.13 H new ATOM 0 HE ARG A 75 -18.449 4.577 -3.266 1.00 22.14 H new ATOM 0 HH11 ARG A 75 -20.185 2.603 -0.964 1.00 65.24 H new ATOM 0 HH12 ARG A 75 -21.288 3.912 -0.527 1.00 65.24 H new ATOM 0 HH21 ARG A 75 -19.870 6.187 -2.721 1.00 61.34 H new ATOM 0 HH22 ARG A 75 -21.113 5.895 -1.500 1.00 61.34 H new ATOM 1211 N VAL A 76 -12.569 2.975 -2.559 1.00 21.21 N ATOM 1212 CA VAL A 76 -11.327 3.472 -3.170 1.00 41.12 C ATOM 1213 C VAL A 76 -11.008 2.768 -4.504 1.00 51.23 C ATOM 1214 O VAL A 76 -11.390 1.619 -4.728 1.00 34.43 O ATOM 1215 CB VAL A 76 -10.120 3.292 -2.209 1.00 3.43 C ATOM 1216 CG1 VAL A 76 -10.295 4.133 -0.946 1.00 60.31 C ATOM 1217 CG2 VAL A 76 -9.925 1.818 -1.856 1.00 41.51 C ATOM 0 H VAL A 76 -12.616 1.959 -2.480 1.00 21.21 H new ATOM 0 HA VAL A 76 -11.489 4.532 -3.367 1.00 41.12 H new ATOM 0 HB VAL A 76 -9.225 3.641 -2.724 1.00 3.43 H new ATOM 0 HG11 VAL A 76 -9.436 3.988 -0.291 1.00 60.31 H new ATOM 0 HG12 VAL A 76 -10.371 5.186 -1.218 1.00 60.31 H new ATOM 0 HG13 VAL A 76 -11.203 3.826 -0.427 1.00 60.31 H new ATOM 0 HG21 VAL A 76 -9.075 1.715 -1.182 1.00 41.51 H new ATOM 0 HG22 VAL A 76 -10.823 1.439 -1.368 1.00 41.51 H new ATOM 0 HG23 VAL A 76 -9.738 1.248 -2.766 1.00 41.51 H new ATOM 1227 N GLU A 77 -10.313 3.478 -5.392 1.00 34.34 N ATOM 1228 CA GLU A 77 -9.838 2.913 -6.661 1.00 22.44 C ATOM 1229 C GLU A 77 -8.357 3.270 -6.888 1.00 51.13 C ATOM 1230 O GLU A 77 -7.846 4.239 -6.321 1.00 54.34 O ATOM 1231 CB GLU A 77 -10.710 3.394 -7.837 1.00 73.04 C ATOM 1232 CG GLU A 77 -10.802 4.910 -7.974 1.00 23.13 C ATOM 1233 CD GLU A 77 -11.681 5.353 -9.139 1.00 61.32 C ATOM 1234 OE1 GLU A 77 -12.897 5.062 -9.121 1.00 0.31 O ATOM 1235 OE2 GLU A 77 -11.157 5.990 -10.081 1.00 53.21 O ATOM 0 H GLU A 77 -10.063 4.457 -5.256 1.00 34.34 H new ATOM 0 HA GLU A 77 -9.922 1.828 -6.607 1.00 22.44 H new ATOM 0 HB2 GLU A 77 -10.310 2.981 -8.763 1.00 73.04 H new ATOM 0 HB3 GLU A 77 -11.715 2.991 -7.717 1.00 73.04 H new ATOM 0 HG2 GLU A 77 -11.197 5.329 -7.049 1.00 23.13 H new ATOM 0 HG3 GLU A 77 -9.800 5.318 -8.107 1.00 23.13 H new ATOM 1242 N LEU A 78 -7.668 2.490 -7.718 1.00 44.25 N ATOM 1243 CA LEU A 78 -6.207 2.614 -7.858 1.00 63.44 C ATOM 1244 C LEU A 78 -5.783 3.283 -9.172 1.00 34.43 C ATOM 1245 O LEU A 78 -6.370 3.051 -10.229 1.00 44.22 O ATOM 1246 CB LEU A 78 -5.551 1.232 -7.756 1.00 30.34 C ATOM 1247 CG LEU A 78 -5.689 0.544 -6.393 1.00 43.10 C ATOM 1248 CD1 LEU A 78 -5.059 -0.846 -6.424 1.00 72.20 C ATOM 1249 CD2 LEU A 78 -5.054 1.406 -5.300 1.00 74.23 C ATOM 0 H LEU A 78 -8.088 1.768 -8.303 1.00 44.25 H new ATOM 0 HA LEU A 78 -5.870 3.257 -7.045 1.00 63.44 H new ATOM 0 HB2 LEU A 78 -5.985 0.584 -8.518 1.00 30.34 H new ATOM 0 HB3 LEU A 78 -4.491 1.332 -7.989 1.00 30.34 H new ATOM 0 HG LEU A 78 -6.749 0.427 -6.168 1.00 43.10 H new ATOM 0 HD11 LEU A 78 -5.168 -1.317 -5.447 1.00 72.20 H new ATOM 0 HD12 LEU A 78 -5.558 -1.455 -7.178 1.00 72.20 H new ATOM 0 HD13 LEU A 78 -4.000 -0.760 -6.669 1.00 72.20 H new ATOM 0 HD21 LEU A 78 -5.158 0.907 -4.337 1.00 74.23 H new ATOM 0 HD22 LEU A 78 -3.997 1.552 -5.520 1.00 74.23 H new ATOM 0 HD23 LEU A 78 -5.554 2.374 -5.263 1.00 74.23 H new ATOM 1261 N ILE A 79 -4.742 4.108 -9.088 1.00 22.04 N ATOM 1262 CA ILE A 79 -4.142 4.742 -10.263 1.00 71.31 C ATOM 1263 C ILE A 79 -2.909 3.941 -10.726 1.00 23.52 C ATOM 1264 O ILE A 79 -1.933 3.805 -9.985 1.00 11.24 O ATOM 1265 CB ILE A 79 -3.731 6.208 -9.955 1.00 20.12 C ATOM 1266 CG1 ILE A 79 -4.916 6.983 -9.353 1.00 72.31 C ATOM 1267 CG2 ILE A 79 -3.218 6.913 -11.210 1.00 72.40 C ATOM 1268 CD1 ILE A 79 -6.120 7.079 -10.267 1.00 71.33 C ATOM 0 H ILE A 79 -4.291 4.356 -8.208 1.00 22.04 H new ATOM 0 HA ILE A 79 -4.886 4.752 -11.059 1.00 71.31 H new ATOM 0 HB ILE A 79 -2.921 6.183 -9.227 1.00 20.12 H new ATOM 0 HG12 ILE A 79 -5.217 6.501 -8.423 1.00 72.31 H new ATOM 0 HG13 ILE A 79 -4.586 7.990 -9.098 1.00 72.31 H new ATOM 0 HG21 ILE A 79 -2.938 7.937 -10.963 1.00 72.40 H new ATOM 0 HG22 ILE A 79 -2.348 6.382 -11.596 1.00 72.40 H new ATOM 0 HG23 ILE A 79 -4.002 6.924 -11.967 1.00 72.40 H new ATOM 0 HD11 ILE A 79 -6.911 7.640 -9.769 1.00 71.33 H new ATOM 0 HD12 ILE A 79 -5.838 7.589 -11.188 1.00 71.33 H new ATOM 0 HD13 ILE A 79 -6.479 6.077 -10.503 1.00 71.33 H new ATOM 1280 N ASN A 80 -2.967 3.417 -11.954 1.00 52.42 N ATOM 1281 CA ASN A 80 -1.931 2.513 -12.497 1.00 52.01 C ATOM 1282 C ASN A 80 -1.807 1.213 -11.670 1.00 11.23 C ATOM 1283 O ASN A 80 -0.734 0.903 -11.144 1.00 3.00 O ATOM 1284 CB ASN A 80 -0.560 3.209 -12.581 1.00 64.31 C ATOM 1285 CG ASN A 80 -0.578 4.465 -13.433 1.00 71.12 C ATOM 1286 OD1 ASN A 80 -0.687 5.616 -12.795 1.00 2.40 O flip ATOM 1287 ND2 ASN A 80 -0.458 4.410 -14.654 1.00 40.42 N flip ATOM 0 H ASN A 80 -3.730 3.603 -12.605 1.00 52.42 H new ATOM 0 HA ASN A 80 -2.252 2.249 -13.505 1.00 52.01 H new ATOM 0 HB2 ASN A 80 -0.228 3.465 -11.575 1.00 64.31 H new ATOM 0 HB3 ASN A 80 0.170 2.511 -12.990 1.00 64.31 H new ATOM 0 HD21 ASN A 80 -0.376 3.505 -15.118 1.00 40.42 H new ATOM 0 HD22 ASN A 80 -0.440 5.269 -15.204 1.00 40.42 H new ATOM 1294 N PRO A 81 -2.907 0.435 -11.538 1.00 33.32 N ATOM 1295 CA PRO A 81 -2.906 -0.823 -10.772 1.00 62.13 C ATOM 1296 C PRO A 81 -2.353 -2.029 -11.559 1.00 51.13 C ATOM 1297 O PRO A 81 -2.740 -2.265 -12.704 1.00 73.31 O ATOM 1298 CB PRO A 81 -4.392 -1.023 -10.465 1.00 63.44 C ATOM 1299 CG PRO A 81 -5.100 -0.430 -11.640 1.00 40.31 C ATOM 1300 CD PRO A 81 -4.236 0.711 -12.130 1.00 24.23 C ATOM 0 HA PRO A 81 -2.259 -0.761 -9.897 1.00 62.13 H new ATOM 0 HB2 PRO A 81 -4.634 -2.079 -10.347 1.00 63.44 H new ATOM 0 HB3 PRO A 81 -4.676 -0.525 -9.538 1.00 63.44 H new ATOM 0 HG2 PRO A 81 -5.241 -1.174 -12.424 1.00 40.31 H new ATOM 0 HG3 PRO A 81 -6.090 -0.073 -11.357 1.00 40.31 H new ATOM 0 HD2 PRO A 81 -4.190 0.738 -13.219 1.00 24.23 H new ATOM 0 HD3 PRO A 81 -4.626 1.675 -11.804 1.00 24.23 H new ATOM 1308 N ILE A 82 -1.456 -2.795 -10.936 1.00 11.32 N ATOM 1309 CA ILE A 82 -0.921 -4.029 -11.536 1.00 13.43 C ATOM 1310 C ILE A 82 -0.794 -5.149 -10.488 1.00 31.14 C ATOM 1311 O ILE A 82 -0.433 -4.897 -9.336 1.00 33.22 O ATOM 1312 CB ILE A 82 0.471 -3.804 -12.187 1.00 32.30 C ATOM 1313 CG1 ILE A 82 1.488 -3.305 -11.140 1.00 74.53 C ATOM 1314 CG2 ILE A 82 0.374 -2.828 -13.360 1.00 71.13 C ATOM 1315 CD1 ILE A 82 2.904 -3.188 -11.666 1.00 44.04 C ATOM 0 H ILE A 82 -1.080 -2.585 -10.011 1.00 11.32 H new ATOM 0 HA ILE A 82 -1.631 -4.323 -12.308 1.00 13.43 H new ATOM 0 HB ILE A 82 0.823 -4.760 -12.574 1.00 32.30 H new ATOM 0 HG12 ILE A 82 1.166 -2.331 -10.771 1.00 74.53 H new ATOM 0 HG13 ILE A 82 1.482 -3.986 -10.289 1.00 74.53 H new ATOM 0 HG21 ILE A 82 1.362 -2.687 -13.799 1.00 71.13 H new ATOM 0 HG22 ILE A 82 -0.304 -3.230 -14.113 1.00 71.13 H new ATOM 0 HG23 ILE A 82 -0.005 -1.870 -13.006 1.00 71.13 H new ATOM 0 HD11 ILE A 82 3.559 -2.831 -10.871 1.00 44.04 H new ATOM 0 HD12 ILE A 82 3.247 -4.164 -12.008 1.00 44.04 H new ATOM 0 HD13 ILE A 82 2.926 -2.484 -12.498 1.00 44.04 H new ATOM 1327 N ALA A 83 -1.085 -6.386 -10.887 1.00 32.41 N ATOM 1328 CA ALA A 83 -0.932 -7.537 -9.989 1.00 34.14 C ATOM 1329 C ALA A 83 0.549 -7.903 -9.824 1.00 61.44 C ATOM 1330 O ALA A 83 1.246 -8.168 -10.808 1.00 65.22 O ATOM 1331 CB ALA A 83 -1.726 -8.728 -10.515 1.00 4.54 C ATOM 0 H ALA A 83 -1.426 -6.620 -11.819 1.00 32.41 H new ATOM 0 HA ALA A 83 -1.325 -7.265 -9.009 1.00 34.14 H new ATOM 0 HB1 ALA A 83 -1.603 -9.574 -9.839 1.00 4.54 H new ATOM 0 HB2 ALA A 83 -2.781 -8.463 -10.577 1.00 4.54 H new ATOM 0 HB3 ALA A 83 -1.362 -8.999 -11.506 1.00 4.54 H new ATOM 1337 N ASP A 84 1.028 -7.916 -8.582 1.00 43.41 N ATOM 1338 CA ASP A 84 2.447 -8.159 -8.309 1.00 31.23 C ATOM 1339 C ASP A 84 2.805 -9.643 -8.519 1.00 4.13 C ATOM 1340 O ASP A 84 1.997 -10.537 -8.254 1.00 43.14 O ATOM 1341 CB ASP A 84 2.792 -7.718 -6.875 1.00 30.21 C ATOM 1342 CG ASP A 84 4.279 -7.453 -6.670 1.00 14.12 C ATOM 1343 OD1 ASP A 84 5.111 -8.036 -7.400 1.00 62.22 O ATOM 1344 OD2 ASP A 84 4.623 -6.644 -5.784 1.00 22.21 O ATOM 0 H ASP A 84 0.459 -7.762 -7.750 1.00 43.41 H new ATOM 0 HA ASP A 84 3.037 -7.570 -9.011 1.00 31.23 H new ATOM 0 HB2 ASP A 84 2.232 -6.814 -6.635 1.00 30.21 H new ATOM 0 HB3 ASP A 84 2.467 -8.489 -6.176 1.00 30.21 H new ATOM 1522 N TRP A 98 -2.899 -12.370 -2.324 1.00 54.41 N ATOM 1523 CA TRP A 98 -2.110 -11.714 -3.376 1.00 30.52 C ATOM 1524 C TRP A 98 -1.915 -10.195 -3.176 1.00 3.02 C ATOM 1525 O TRP A 98 -2.658 -9.519 -2.445 1.00 11.43 O ATOM 1526 CB TRP A 98 -2.712 -12.006 -4.762 1.00 54.32 C ATOM 1527 CG TRP A 98 -4.079 -11.423 -4.998 1.00 62.22 C ATOM 1528 CD1 TRP A 98 -5.174 -11.524 -4.189 1.00 31.15 C ATOM 1529 CD2 TRP A 98 -4.498 -10.679 -6.149 1.00 60.20 C ATOM 1530 NE1 TRP A 98 -6.238 -10.869 -4.753 1.00 0.42 N ATOM 1531 CE2 TRP A 98 -5.850 -10.342 -5.957 1.00 62.42 C ATOM 1532 CE3 TRP A 98 -3.855 -10.249 -7.316 1.00 33.02 C ATOM 1533 CZ2 TRP A 98 -6.574 -9.608 -6.892 1.00 30.21 C ATOM 1534 CZ3 TRP A 98 -4.577 -9.523 -8.243 1.00 54.32 C ATOM 1535 CH2 TRP A 98 -5.921 -9.206 -8.025 1.00 11.31 C ATOM 0 HA TRP A 98 -1.112 -12.146 -3.307 1.00 30.52 H new ATOM 0 HB2 TRP A 98 -2.034 -11.623 -5.524 1.00 54.32 H new ATOM 0 HB3 TRP A 98 -2.766 -13.086 -4.898 1.00 54.32 H new ATOM 0 HD1 TRP A 98 -5.198 -12.044 -3.243 1.00 31.15 H new ATOM 0 HE1 TRP A 98 -7.168 -10.787 -4.343 1.00 0.42 H new ATOM 0 HE3 TRP A 98 -2.814 -10.481 -7.488 1.00 33.02 H new ATOM 0 HZ2 TRP A 98 -7.614 -9.365 -6.729 1.00 30.21 H new ATOM 0 HZ3 TRP A 98 -4.095 -9.195 -9.152 1.00 54.32 H new ATOM 0 HH2 TRP A 98 -6.455 -8.631 -8.767 1.00 11.31 H new ATOM 1546 N TYR A 99 -0.891 -9.679 -3.859 1.00 41.41 N ATOM 1547 CA TYR A 99 -0.463 -8.285 -3.731 1.00 21.54 C ATOM 1548 C TYR A 99 -0.671 -7.511 -5.043 1.00 22.02 C ATOM 1549 O TYR A 99 -0.522 -8.062 -6.133 1.00 42.51 O ATOM 1550 CB TYR A 99 1.019 -8.243 -3.323 1.00 13.02 C ATOM 1551 CG TYR A 99 1.300 -8.959 -2.012 1.00 75.21 C ATOM 1552 CD1 TYR A 99 1.425 -10.344 -1.963 1.00 24.35 C ATOM 1553 CD2 TYR A 99 1.431 -8.249 -0.822 1.00 1.43 C ATOM 1554 CE1 TYR A 99 1.671 -10.998 -0.769 1.00 42.55 C ATOM 1555 CE2 TYR A 99 1.680 -8.897 0.374 1.00 42.23 C ATOM 1556 CZ TYR A 99 1.798 -10.270 0.394 1.00 61.13 C ATOM 1557 OH TYR A 99 2.045 -10.920 1.584 1.00 63.12 O ATOM 0 H TYR A 99 -0.333 -10.220 -4.520 1.00 41.41 H new ATOM 0 HA TYR A 99 -1.072 -7.806 -2.964 1.00 21.54 H new ATOM 0 HB2 TYR A 99 1.619 -8.695 -4.112 1.00 13.02 H new ATOM 0 HB3 TYR A 99 1.336 -7.204 -3.237 1.00 13.02 H new ATOM 0 HD1 TYR A 99 1.328 -10.918 -2.873 1.00 24.35 H new ATOM 0 HD2 TYR A 99 1.337 -7.173 -0.833 1.00 1.43 H new ATOM 0 HE1 TYR A 99 1.763 -12.074 -0.749 1.00 42.55 H new ATOM 0 HE2 TYR A 99 1.781 -8.330 1.288 1.00 42.23 H new ATOM 0 HH TYR A 99 2.108 -10.263 2.309 1.00 63.12 H new ATOM 1567 N ILE A 100 -1.023 -6.233 -4.925 1.00 61.44 N ATOM 1568 CA ILE A 100 -1.261 -5.373 -6.093 1.00 54.14 C ATOM 1569 C ILE A 100 -0.477 -4.055 -5.975 1.00 10.25 C ATOM 1570 O ILE A 100 -0.651 -3.308 -5.018 1.00 25.44 O ATOM 1571 CB ILE A 100 -2.772 -5.036 -6.249 1.00 51.40 C ATOM 1572 CG1 ILE A 100 -3.619 -6.322 -6.307 1.00 13.14 C ATOM 1573 CG2 ILE A 100 -3.012 -4.184 -7.496 1.00 74.51 C ATOM 1574 CD1 ILE A 100 -5.113 -6.069 -6.360 1.00 21.33 C ATOM 0 H ILE A 100 -1.152 -5.763 -4.029 1.00 61.44 H new ATOM 0 HA ILE A 100 -0.921 -5.927 -6.968 1.00 54.14 H new ATOM 0 HB ILE A 100 -3.079 -4.462 -5.375 1.00 51.40 H new ATOM 0 HG12 ILE A 100 -3.326 -6.899 -7.184 1.00 13.14 H new ATOM 0 HG13 ILE A 100 -3.394 -6.934 -5.433 1.00 13.14 H new ATOM 0 HG21 ILE A 100 -4.075 -3.961 -7.585 1.00 74.51 H new ATOM 0 HG22 ILE A 100 -2.451 -3.253 -7.414 1.00 74.51 H new ATOM 0 HG23 ILE A 100 -2.681 -4.730 -8.379 1.00 74.51 H new ATOM 0 HD11 ILE A 100 -5.642 -7.021 -6.399 1.00 21.33 H new ATOM 0 HD12 ILE A 100 -5.421 -5.519 -5.471 1.00 21.33 H new ATOM 0 HD13 ILE A 100 -5.352 -5.484 -7.248 1.00 21.33 H new ATOM 1586 N LYS A 101 0.378 -3.767 -6.947 1.00 71.13 N ATOM 1587 CA LYS A 101 1.138 -2.511 -6.944 1.00 12.21 C ATOM 1588 C LYS A 101 0.357 -1.402 -7.665 1.00 23.24 C ATOM 1589 O LYS A 101 -0.404 -1.671 -8.594 1.00 41.55 O ATOM 1590 CB LYS A 101 2.503 -2.701 -7.618 1.00 52.25 C ATOM 1591 CG LYS A 101 3.337 -3.826 -7.016 1.00 11.33 C ATOM 1592 CD LYS A 101 4.703 -3.943 -7.688 1.00 43.30 C ATOM 1593 CE LYS A 101 5.609 -2.767 -7.342 1.00 73.41 C ATOM 1594 NZ LYS A 101 5.951 -2.739 -5.897 1.00 31.21 N ATOM 0 H LYS A 101 0.566 -4.376 -7.744 1.00 71.13 H new ATOM 0 HA LYS A 101 1.293 -2.218 -5.906 1.00 12.21 H new ATOM 0 HB2 LYS A 101 2.349 -2.903 -8.678 1.00 52.25 H new ATOM 0 HB3 LYS A 101 3.064 -1.769 -7.549 1.00 52.25 H new ATOM 0 HG2 LYS A 101 3.471 -3.648 -5.949 1.00 11.33 H new ATOM 0 HG3 LYS A 101 2.801 -4.770 -7.117 1.00 11.33 H new ATOM 0 HD2 LYS A 101 5.181 -4.873 -7.379 1.00 43.30 H new ATOM 0 HD3 LYS A 101 4.573 -3.995 -8.769 1.00 43.30 H new ATOM 0 HE2 LYS A 101 6.524 -2.828 -7.931 1.00 73.41 H new ATOM 0 HE3 LYS A 101 5.115 -1.835 -7.616 1.00 73.41 H new ATOM 0 HZ1 LYS A 101 6.754 -2.096 -5.743 1.00 31.21 H new ATOM 0 HZ2 LYS A 101 5.130 -2.405 -5.352 1.00 31.21 H new ATOM 0 HZ3 LYS A 101 6.209 -3.696 -5.583 1.00 31.21 H new ATOM 1608 N ALA A 102 0.549 -0.159 -7.238 1.00 13.13 N ATOM 1609 CA ALA A 102 -0.132 0.981 -7.857 1.00 65.44 C ATOM 1610 C ALA A 102 0.716 2.255 -7.773 1.00 13.14 C ATOM 1611 O ALA A 102 1.642 2.343 -6.969 1.00 42.03 O ATOM 1612 CB ALA A 102 -1.492 1.206 -7.199 1.00 13.34 C ATOM 0 H ALA A 102 1.169 0.089 -6.467 1.00 13.13 H new ATOM 0 HA ALA A 102 -0.280 0.748 -8.911 1.00 65.44 H new ATOM 0 HB1 ALA A 102 -1.987 2.056 -7.668 1.00 13.34 H new ATOM 0 HB2 ALA A 102 -2.107 0.315 -7.321 1.00 13.34 H new ATOM 0 HB3 ALA A 102 -1.353 1.408 -6.137 1.00 13.34 H new ATOM 1618 N ASP A 103 0.399 3.234 -8.612 1.00 71.44 N ATOM 1619 CA ASP A 103 1.086 4.526 -8.588 1.00 53.13 C ATOM 1620 C ASP A 103 0.457 5.466 -7.542 1.00 15.42 C ATOM 1621 O ASP A 103 1.138 6.308 -6.957 1.00 12.55 O ATOM 1622 CB ASP A 103 1.029 5.174 -9.978 1.00 70.45 C ATOM 1623 CG ASP A 103 1.771 6.497 -10.039 1.00 62.31 C ATOM 1624 OD1 ASP A 103 2.949 6.541 -9.626 1.00 3.14 O ATOM 1625 OD2 ASP A 103 1.170 7.498 -10.482 1.00 53.42 O ATOM 0 H ASP A 103 -0.331 3.160 -9.320 1.00 71.44 H new ATOM 0 HA ASP A 103 2.127 4.356 -8.311 1.00 53.13 H new ATOM 0 HB2 ASP A 103 1.455 4.489 -10.711 1.00 70.45 H new ATOM 0 HB3 ASP A 103 -0.012 5.333 -10.258 1.00 70.45 H new ATOM 1630 N ASP A 104 -0.848 5.314 -7.315 1.00 4.54 N ATOM 1631 CA ASP A 104 -1.565 6.163 -6.360 1.00 45.03 C ATOM 1632 C ASP A 104 -2.898 5.537 -5.919 1.00 53.04 C ATOM 1633 O ASP A 104 -3.498 4.735 -6.635 1.00 42.14 O ATOM 1634 CB ASP A 104 -1.794 7.551 -6.980 1.00 20.42 C ATOM 1635 CG ASP A 104 -2.480 8.531 -6.042 1.00 61.21 C ATOM 1636 OD1 ASP A 104 -2.230 8.474 -4.818 1.00 13.32 O ATOM 1637 OD2 ASP A 104 -3.259 9.378 -6.526 1.00 4.44 O ATOM 0 H ASP A 104 -1.429 4.614 -7.777 1.00 4.54 H new ATOM 0 HA ASP A 104 -0.951 6.261 -5.465 1.00 45.03 H new ATOM 0 HB2 ASP A 104 -0.834 7.966 -7.286 1.00 20.42 H new ATOM 0 HB3 ASP A 104 -2.396 7.442 -7.882 1.00 20.42 H new ATOM 1642 N ILE A 105 -3.340 5.914 -4.722 1.00 22.22 N ATOM 1643 CA ILE A 105 -4.592 5.414 -4.138 1.00 54.24 C ATOM 1644 C ILE A 105 -5.619 6.548 -3.970 1.00 14.12 C ATOM 1645 O ILE A 105 -5.409 7.466 -3.176 1.00 40.32 O ATOM 1646 CB ILE A 105 -4.334 4.759 -2.753 1.00 44.10 C ATOM 1647 CG1 ILE A 105 -3.435 3.521 -2.904 1.00 43.43 C ATOM 1648 CG2 ILE A 105 -5.651 4.393 -2.068 1.00 72.54 C ATOM 1649 CD1 ILE A 105 -3.142 2.808 -1.600 1.00 23.01 C ATOM 0 H ILE A 105 -2.843 6.575 -4.125 1.00 22.22 H new ATOM 0 HA ILE A 105 -4.992 4.668 -4.825 1.00 54.24 H new ATOM 0 HB ILE A 105 -3.819 5.484 -2.123 1.00 44.10 H new ATOM 0 HG12 ILE A 105 -3.911 2.820 -3.590 1.00 43.43 H new ATOM 0 HG13 ILE A 105 -2.492 3.823 -3.361 1.00 43.43 H new ATOM 0 HG21 ILE A 105 -5.443 3.936 -1.100 1.00 72.54 H new ATOM 0 HG22 ILE A 105 -6.248 5.293 -1.923 1.00 72.54 H new ATOM 0 HG23 ILE A 105 -6.202 3.688 -2.691 1.00 72.54 H new ATOM 0 HD11 ILE A 105 -2.502 1.947 -1.792 1.00 23.01 H new ATOM 0 HD12 ILE A 105 -2.636 3.491 -0.918 1.00 23.01 H new ATOM 0 HD13 ILE A 105 -4.077 2.473 -1.151 1.00 23.01 H new ATOM 1661 N VAL A 106 -6.724 6.480 -4.708 1.00 22.41 N ATOM 1662 CA VAL A 106 -7.770 7.512 -4.632 1.00 42.44 C ATOM 1663 C VAL A 106 -9.138 6.906 -4.285 1.00 43.54 C ATOM 1664 O VAL A 106 -9.268 5.694 -4.125 1.00 43.11 O ATOM 1665 CB VAL A 106 -7.881 8.304 -5.960 1.00 34.52 C ATOM 1666 CG1 VAL A 106 -6.567 9.016 -6.270 1.00 14.15 C ATOM 1667 CG2 VAL A 106 -8.287 7.386 -7.110 1.00 23.43 C ATOM 0 H VAL A 106 -6.924 5.726 -5.365 1.00 22.41 H new ATOM 0 HA VAL A 106 -7.476 8.195 -3.835 1.00 42.44 H new ATOM 0 HB VAL A 106 -8.659 9.058 -5.843 1.00 34.52 H new ATOM 0 HG11 VAL A 106 -6.664 9.567 -7.206 1.00 14.15 H new ATOM 0 HG12 VAL A 106 -6.330 9.710 -5.463 1.00 14.15 H new ATOM 0 HG13 VAL A 106 -5.768 8.281 -6.363 1.00 14.15 H new ATOM 0 HG21 VAL A 106 -8.358 7.965 -8.030 1.00 23.43 H new ATOM 0 HG22 VAL A 106 -7.539 6.602 -7.231 1.00 23.43 H new ATOM 0 HG23 VAL A 106 -9.254 6.934 -6.890 1.00 23.43 H new ATOM 1677 N LEU A 107 -10.153 7.757 -4.161 1.00 13.41 N ATOM 1678 CA LEU A 107 -11.516 7.301 -3.851 1.00 12.32 C ATOM 1679 C LEU A 107 -12.280 6.884 -5.123 1.00 70.33 C ATOM 1680 O LEU A 107 -12.087 7.465 -6.195 1.00 34.20 O ATOM 1681 CB LEU A 107 -12.285 8.410 -3.114 1.00 51.40 C ATOM 1682 CG LEU A 107 -11.698 8.823 -1.751 1.00 65.41 C ATOM 1683 CD1 LEU A 107 -12.486 9.984 -1.145 1.00 25.14 C ATOM 1684 CD2 LEU A 107 -11.670 7.633 -0.792 1.00 74.31 C ATOM 0 H LEU A 107 -10.063 8.767 -4.269 1.00 13.41 H new ATOM 0 HA LEU A 107 -11.437 6.424 -3.209 1.00 12.32 H new ATOM 0 HB2 LEU A 107 -12.325 9.290 -3.756 1.00 51.40 H new ATOM 0 HB3 LEU A 107 -13.312 8.079 -2.963 1.00 51.40 H new ATOM 0 HG LEU A 107 -10.673 9.158 -1.913 1.00 65.41 H new ATOM 0 HD11 LEU A 107 -12.051 10.256 -0.183 1.00 25.14 H new ATOM 0 HD12 LEU A 107 -12.446 10.841 -1.817 1.00 25.14 H new ATOM 0 HD13 LEU A 107 -13.524 9.684 -1.002 1.00 25.14 H new ATOM 0 HD21 LEU A 107 -11.252 7.946 0.165 1.00 74.31 H new ATOM 0 HD22 LEU A 107 -12.684 7.263 -0.641 1.00 74.31 H new ATOM 0 HD23 LEU A 107 -11.054 6.839 -1.215 1.00 74.31 H new ATOM 1696 N THR A 108 -13.148 5.878 -4.993 1.00 30.20 N ATOM 1697 CA THR A 108 -13.951 5.390 -6.124 1.00 15.51 C ATOM 1698 C THR A 108 -14.935 6.464 -6.609 1.00 64.24 C ATOM 1699 O THR A 108 -15.411 7.283 -5.824 1.00 74.33 O ATOM 1700 CB THR A 108 -14.759 4.115 -5.758 1.00 43.43 C ATOM 1701 OG1 THR A 108 -13.916 3.152 -5.113 1.00 20.01 O ATOM 1702 CG2 THR A 108 -15.382 3.476 -6.996 1.00 70.02 C ATOM 0 H THR A 108 -13.315 5.383 -4.117 1.00 30.20 H new ATOM 0 HA THR A 108 -13.243 5.148 -6.917 1.00 15.51 H new ATOM 0 HB THR A 108 -15.555 4.422 -5.080 1.00 43.43 H new ATOM 0 HG1 THR A 108 -14.395 2.301 -5.032 1.00 20.01 H new ATOM 0 HG21 THR A 108 -15.940 2.586 -6.704 1.00 70.02 H new ATOM 0 HG22 THR A 108 -16.056 4.188 -7.472 1.00 70.02 H new ATOM 0 HG23 THR A 108 -14.595 3.197 -7.697 1.00 70.02 H new