USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 569 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 41 CYS SG : rot 89:sc= -1.22! USER MOD Set 2.2: A 51 THR OG1 : rot -174:sc= 1.41 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.636 USER MOD Single : A 30 ASN : amide:sc= -3.17! C(o=-3.2!,f=-8.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 38 THR OG1 : rot 63:sc= 1.29 USER MOD Single : A 44 LYS NZ :NH3+ -102:sc= -0.11 (180deg=-0.7) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -48:sc= -0.581 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 99:sc= 0.125 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 147:sc= -0.7 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 10 0.738 -1.455 -2.632 1.00 61.35 N ATOM 19 CA LYS A 10 0.427 -2.659 -3.394 1.00 32.33 C ATOM 20 C LYS A 10 -0.073 -2.306 -4.791 1.00 1.32 C ATOM 21 O LYS A 10 -0.774 -1.310 -4.976 1.00 20.33 O ATOM 22 CB LYS A 10 -0.626 -3.493 -2.660 1.00 62.50 C ATOM 23 CG LYS A 10 -0.036 -4.480 -1.667 1.00 71.11 C ATOM 24 CD LYS A 10 -1.104 -5.059 -0.755 1.00 14.45 C ATOM 25 CE LYS A 10 -1.596 -6.407 -1.257 1.00 73.23 C ATOM 26 NZ LYS A 10 -0.908 -7.538 -0.576 1.00 22.12 N ATOM 0 HA LYS A 10 1.342 -3.243 -3.492 1.00 32.33 H new ATOM 0 HB2 LYS A 10 -1.306 -2.823 -2.133 1.00 62.50 H new ATOM 0 HB3 LYS A 10 -1.220 -4.039 -3.393 1.00 62.50 H new ATOM 0 HG2 LYS A 10 0.460 -5.287 -2.206 1.00 71.11 H new ATOM 0 HG3 LYS A 10 0.726 -3.982 -1.067 1.00 71.11 H new ATOM 0 HD2 LYS A 10 -0.703 -5.169 0.252 1.00 14.45 H new ATOM 0 HD3 LYS A 10 -1.943 -4.366 -0.690 1.00 14.45 H new ATOM 0 HE2 LYS A 10 -2.671 -6.485 -1.094 1.00 73.23 H new ATOM 0 HE3 LYS A 10 -1.431 -6.476 -2.332 1.00 73.23 H new ATOM 0 HZ1 LYS A 10 -1.272 -8.439 -0.946 1.00 22.12 H new ATOM 0 HZ2 LYS A 10 0.115 -7.479 -0.752 1.00 22.12 H new ATOM 0 HZ3 LYS A 10 -1.086 -7.487 0.447 1.00 22.12 H new ATOM 40 N ILE A 11 0.291 -3.127 -5.770 1.00 32.02 N ATOM 41 CA ILE A 11 -0.123 -2.901 -7.149 1.00 73.50 C ATOM 42 C ILE A 11 -0.696 -4.173 -7.766 1.00 64.11 C ATOM 43 O ILE A 11 -0.231 -5.278 -7.483 1.00 41.43 O ATOM 44 CB ILE A 11 1.050 -2.407 -8.015 1.00 41.14 C ATOM 45 CG1 ILE A 11 2.241 -3.359 -7.891 1.00 61.33 C ATOM 46 CG2 ILE A 11 1.449 -0.996 -7.611 1.00 1.41 C ATOM 47 CD1 ILE A 11 2.988 -3.565 -9.190 1.00 45.33 C ATOM 0 H ILE A 11 0.872 -3.954 -5.634 1.00 32.02 H new ATOM 0 HA ILE A 11 -0.895 -2.132 -7.125 1.00 73.50 H new ATOM 0 HB ILE A 11 0.730 -2.389 -9.057 1.00 41.14 H new ATOM 0 HG12 ILE A 11 2.931 -2.969 -7.143 1.00 61.33 H new ATOM 0 HG13 ILE A 11 1.888 -4.324 -7.527 1.00 61.33 H new ATOM 0 HG21 ILE A 11 2.280 -0.661 -8.232 1.00 1.41 H new ATOM 0 HG22 ILE A 11 0.601 -0.325 -7.746 1.00 1.41 H new ATOM 0 HG23 ILE A 11 1.753 -0.990 -6.564 1.00 1.41 H new ATOM 0 HD11 ILE A 11 3.819 -4.251 -9.027 1.00 45.33 H new ATOM 0 HD12 ILE A 11 2.312 -3.984 -9.936 1.00 45.33 H new ATOM 0 HD13 ILE A 11 3.371 -2.608 -9.545 1.00 45.33 H new ATOM 59 N LYS A 12 -1.707 -4.010 -8.613 1.00 24.13 N ATOM 60 CA LYS A 12 -2.342 -5.144 -9.274 1.00 1.31 C ATOM 61 C LYS A 12 -2.207 -5.035 -10.789 1.00 54.04 C ATOM 62 O LYS A 12 -2.708 -4.090 -11.400 1.00 10.01 O ATOM 63 CB LYS A 12 -3.820 -5.223 -8.887 1.00 34.31 C ATOM 64 CG LYS A 12 -4.205 -6.533 -8.221 1.00 11.13 C ATOM 65 CD LYS A 12 -5.712 -6.729 -8.205 1.00 2.01 C ATOM 66 CE LYS A 12 -6.096 -8.043 -7.542 1.00 0.34 C ATOM 67 NZ LYS A 12 -6.926 -7.827 -6.324 1.00 72.42 N ATOM 0 H LYS A 12 -2.104 -3.103 -8.858 1.00 24.13 H new ATOM 0 HA LYS A 12 -1.838 -6.053 -8.947 1.00 1.31 H new ATOM 0 HB2 LYS A 12 -4.055 -4.399 -8.213 1.00 34.31 H new ATOM 0 HB3 LYS A 12 -4.429 -5.087 -9.781 1.00 34.31 H new ATOM 0 HG2 LYS A 12 -3.735 -7.363 -8.749 1.00 11.13 H new ATOM 0 HG3 LYS A 12 -3.824 -6.549 -7.200 1.00 11.13 H new ATOM 0 HD2 LYS A 12 -6.182 -5.901 -7.674 1.00 2.01 H new ATOM 0 HD3 LYS A 12 -6.093 -6.710 -9.226 1.00 2.01 H new ATOM 0 HE2 LYS A 12 -6.646 -8.661 -8.252 1.00 0.34 H new ATOM 0 HE3 LYS A 12 -5.193 -8.592 -7.274 1.00 0.34 H new ATOM 0 HZ1 LYS A 12 -7.167 -8.746 -5.901 1.00 72.42 H new ATOM 0 HZ2 LYS A 12 -6.392 -7.259 -5.636 1.00 72.42 H new ATOM 0 HZ3 LYS A 12 -7.799 -7.325 -6.583 1.00 72.42 H new ATOM 81 N ILE A 13 -1.530 -6.008 -11.390 1.00 54.30 N ATOM 82 CA ILE A 13 -1.333 -6.022 -12.834 1.00 52.42 C ATOM 83 C ILE A 13 -2.077 -7.186 -13.479 1.00 53.24 C ATOM 84 O ILE A 13 -1.814 -8.350 -13.176 1.00 43.44 O ATOM 85 CB ILE A 13 0.160 -6.117 -13.198 1.00 3.04 C ATOM 86 CG1 ILE A 13 0.968 -5.092 -12.399 1.00 24.32 C ATOM 87 CG2 ILE A 13 0.356 -5.906 -14.691 1.00 64.15 C ATOM 88 CD1 ILE A 13 1.702 -5.689 -11.218 1.00 52.10 C ATOM 0 H ILE A 13 -1.109 -6.797 -10.899 1.00 54.30 H new ATOM 0 HA ILE A 13 -1.732 -5.082 -13.216 1.00 52.42 H new ATOM 0 HB ILE A 13 0.518 -7.114 -12.942 1.00 3.04 H new ATOM 0 HG12 ILE A 13 1.690 -4.614 -13.061 1.00 24.32 H new ATOM 0 HG13 ILE A 13 0.297 -4.311 -12.042 1.00 24.32 H new ATOM 0 HG21 ILE A 13 1.417 -5.976 -14.932 1.00 64.15 H new ATOM 0 HG22 ILE A 13 -0.193 -6.670 -15.242 1.00 64.15 H new ATOM 0 HG23 ILE A 13 -0.015 -4.920 -14.971 1.00 64.15 H new ATOM 0 HD11 ILE A 13 2.253 -4.905 -10.698 1.00 52.10 H new ATOM 0 HD12 ILE A 13 0.984 -6.142 -10.535 1.00 52.10 H new ATOM 0 HD13 ILE A 13 2.398 -6.450 -11.569 1.00 52.10 H new ATOM 100 N VAL A 14 -3.008 -6.864 -14.373 1.00 23.23 N ATOM 101 CA VAL A 14 -3.789 -7.883 -15.064 1.00 24.11 C ATOM 102 C VAL A 14 -3.259 -8.119 -16.474 1.00 1.20 C ATOM 103 O VAL A 14 -3.399 -7.281 -17.365 1.00 15.32 O ATOM 104 CB VAL A 14 -5.276 -7.491 -15.145 1.00 20.41 C ATOM 105 CG1 VAL A 14 -5.429 -6.093 -15.723 1.00 53.11 C ATOM 106 CG2 VAL A 14 -6.050 -8.507 -15.972 1.00 23.01 C ATOM 0 H VAL A 14 -3.239 -5.906 -14.635 1.00 23.23 H new ATOM 0 HA VAL A 14 -3.694 -8.802 -14.485 1.00 24.11 H new ATOM 0 HB VAL A 14 -5.689 -7.488 -14.136 1.00 20.41 H new ATOM 0 HG11 VAL A 14 -6.486 -5.833 -15.773 1.00 53.11 H new ATOM 0 HG12 VAL A 14 -4.909 -5.377 -15.086 1.00 53.11 H new ATOM 0 HG13 VAL A 14 -5.001 -6.065 -16.725 1.00 53.11 H new ATOM 0 HG21 VAL A 14 -7.099 -8.215 -16.019 1.00 23.01 H new ATOM 0 HG22 VAL A 14 -5.638 -8.545 -16.981 1.00 23.01 H new ATOM 0 HG23 VAL A 14 -5.968 -9.491 -15.510 1.00 23.01 H new ATOM 116 N PRO A 15 -2.635 -9.287 -16.684 1.00 21.40 N ATOM 117 CA PRO A 15 -2.072 -9.662 -17.985 1.00 11.33 C ATOM 118 C PRO A 15 -3.152 -9.939 -19.025 1.00 63.23 C ATOM 119 O PRO A 15 -4.128 -10.636 -18.750 1.00 22.21 O ATOM 120 CB PRO A 15 -1.286 -10.938 -17.677 1.00 25.22 C ATOM 121 CG PRO A 15 -1.948 -11.509 -16.471 1.00 25.44 C ATOM 122 CD PRO A 15 -2.431 -10.333 -15.668 1.00 32.52 C ATOM 0 HA PRO A 15 -1.464 -8.864 -18.412 1.00 11.33 H new ATOM 0 HB2 PRO A 15 -1.319 -11.635 -18.514 1.00 25.22 H new ATOM 0 HB3 PRO A 15 -0.235 -10.719 -17.486 1.00 25.22 H new ATOM 0 HG2 PRO A 15 -2.778 -12.157 -16.752 1.00 25.44 H new ATOM 0 HG3 PRO A 15 -1.251 -12.116 -15.894 1.00 25.44 H new ATOM 0 HD2 PRO A 15 -3.354 -10.562 -15.136 1.00 32.52 H new ATOM 0 HD3 PRO A 15 -1.699 -10.029 -14.920 1.00 32.52 H new ATOM 130 N ALA A 16 -2.969 -9.390 -20.221 1.00 54.45 N ATOM 131 CA ALA A 16 -3.927 -9.580 -21.304 1.00 21.42 C ATOM 132 C ALA A 16 -3.598 -10.830 -22.114 1.00 2.31 C ATOM 133 O ALA A 16 -3.416 -10.763 -23.330 1.00 20.53 O ATOM 134 CB ALA A 16 -3.954 -8.356 -22.206 1.00 52.23 C ATOM 0 H ALA A 16 -2.166 -8.810 -20.465 1.00 54.45 H new ATOM 0 HA ALA A 16 -4.915 -9.714 -20.863 1.00 21.42 H new ATOM 0 HB1 ALA A 16 -4.673 -8.512 -23.010 1.00 52.23 H new ATOM 0 HB2 ALA A 16 -4.244 -7.481 -21.624 1.00 52.23 H new ATOM 0 HB3 ALA A 16 -2.963 -8.196 -22.632 1.00 52.23 H new ATOM 170 N GLY A 20 -6.586 -13.883 -19.133 1.00 3.03 N ATOM 171 CA GLY A 20 -5.615 -14.060 -18.069 1.00 64.40 C ATOM 172 C GLY A 20 -6.178 -13.714 -16.705 1.00 55.34 C ATOM 173 O GLY A 20 -7.362 -13.400 -16.577 1.00 21.31 O ATOM 0 HA2 GLY A 20 -5.270 -15.094 -18.064 1.00 64.40 H new ATOM 0 HA3 GLY A 20 -4.745 -13.435 -18.268 1.00 64.40 H new ATOM 177 N SER A 21 -5.330 -13.771 -15.684 1.00 31.42 N ATOM 178 CA SER A 21 -5.752 -13.466 -14.322 1.00 20.43 C ATOM 179 C SER A 21 -4.830 -12.430 -13.687 1.00 1.13 C ATOM 180 O SER A 21 -3.618 -12.426 -13.901 1.00 44.31 O ATOM 181 CB SER A 21 -5.768 -14.739 -13.473 1.00 71.20 C ATOM 182 OG SER A 21 -6.814 -14.702 -12.517 1.00 42.24 O ATOM 0 H SER A 21 -4.346 -14.026 -15.774 1.00 31.42 H new ATOM 0 HA SER A 21 -6.760 -13.053 -14.364 1.00 20.43 H new ATOM 0 HB2 SER A 21 -5.892 -15.609 -14.118 1.00 71.20 H new ATOM 0 HB3 SER A 21 -4.811 -14.853 -12.965 1.00 71.20 H new ATOM 0 HG SER A 21 -6.804 -15.527 -11.989 1.00 42.24 H new ATOM 188 N PRO A 22 -5.417 -11.529 -12.885 1.00 52.34 N ATOM 189 CA PRO A 22 -4.668 -10.470 -12.202 1.00 31.23 C ATOM 190 C PRO A 22 -3.773 -11.016 -11.095 1.00 25.11 C ATOM 191 O PRO A 22 -4.110 -12.002 -10.438 1.00 54.12 O ATOM 192 CB PRO A 22 -5.767 -9.583 -11.612 1.00 2.43 C ATOM 193 CG PRO A 22 -6.940 -10.487 -11.453 1.00 51.23 C ATOM 194 CD PRO A 22 -6.858 -11.474 -12.585 1.00 24.15 C ATOM 0 HA PRO A 22 -3.995 -9.945 -12.879 1.00 31.23 H new ATOM 0 HB2 PRO A 22 -5.462 -9.159 -10.655 1.00 2.43 H new ATOM 0 HB3 PRO A 22 -5.998 -8.747 -12.272 1.00 2.43 H new ATOM 0 HG2 PRO A 22 -6.913 -10.995 -10.489 1.00 51.23 H new ATOM 0 HG3 PRO A 22 -7.874 -9.926 -11.491 1.00 51.23 H new ATOM 0 HD2 PRO A 22 -7.246 -12.451 -12.296 1.00 24.15 H new ATOM 0 HD3 PRO A 22 -7.436 -11.144 -13.448 1.00 24.15 H new ATOM 202 N LEU A 23 -2.630 -10.370 -10.892 1.00 43.23 N ATOM 203 CA LEU A 23 -1.685 -10.790 -9.864 1.00 22.45 C ATOM 204 C LEU A 23 -1.302 -9.619 -8.964 1.00 61.43 C ATOM 205 O LEU A 23 -1.098 -8.502 -9.438 1.00 20.21 O ATOM 206 CB LEU A 23 -0.431 -11.385 -10.507 1.00 71.22 C ATOM 207 CG LEU A 23 0.058 -12.711 -9.924 1.00 24.13 C ATOM 208 CD1 LEU A 23 -0.916 -13.831 -10.254 1.00 24.45 C ATOM 209 CD2 LEU A 23 1.450 -13.041 -10.444 1.00 31.33 C ATOM 0 H LEU A 23 -2.335 -9.553 -11.426 1.00 43.23 H new ATOM 0 HA LEU A 23 -2.168 -11.552 -9.252 1.00 22.45 H new ATOM 0 HB2 LEU A 23 -0.625 -11.528 -11.570 1.00 71.22 H new ATOM 0 HB3 LEU A 23 0.375 -10.656 -10.426 1.00 71.22 H new ATOM 0 HG LEU A 23 0.111 -12.612 -8.840 1.00 24.13 H new ATOM 0 HD11 LEU A 23 -0.551 -14.767 -9.831 1.00 24.45 H new ATOM 0 HD12 LEU A 23 -1.894 -13.599 -9.832 1.00 24.45 H new ATOM 0 HD13 LEU A 23 -1.002 -13.931 -11.336 1.00 24.45 H new ATOM 0 HD21 LEU A 23 1.782 -13.988 -10.019 1.00 31.33 H new ATOM 0 HD22 LEU A 23 1.423 -13.121 -11.531 1.00 31.33 H new ATOM 0 HD23 LEU A 23 2.143 -12.251 -10.155 1.00 31.33 H new ATOM 221 N GLU A 24 -1.204 -9.885 -7.665 1.00 54.52 N ATOM 222 CA GLU A 24 -0.844 -8.852 -6.701 1.00 33.15 C ATOM 223 C GLU A 24 0.629 -8.956 -6.317 1.00 42.32 C ATOM 224 O GLU A 24 1.109 -10.024 -5.934 1.00 43.44 O ATOM 225 CB GLU A 24 -1.717 -8.965 -5.449 1.00 73.50 C ATOM 226 CG GLU A 24 -1.475 -10.235 -4.651 1.00 25.25 C ATOM 227 CD GLU A 24 -2.763 -10.919 -4.237 1.00 21.34 C ATOM 228 OE1 GLU A 24 -3.716 -10.209 -3.854 1.00 21.34 O ATOM 229 OE2 GLU A 24 -2.818 -12.166 -4.296 1.00 44.31 O ATOM 0 H GLU A 24 -1.369 -10.805 -7.257 1.00 54.52 H new ATOM 0 HA GLU A 24 -1.013 -7.881 -7.167 1.00 33.15 H new ATOM 0 HB2 GLU A 24 -1.532 -8.103 -4.808 1.00 73.50 H new ATOM 0 HB3 GLU A 24 -2.766 -8.925 -5.743 1.00 73.50 H new ATOM 0 HG2 GLU A 24 -0.877 -10.925 -5.246 1.00 25.25 H new ATOM 0 HG3 GLU A 24 -0.893 -9.995 -3.761 1.00 25.25 H new ATOM 236 N LEU A 25 1.342 -7.840 -6.423 1.00 53.34 N ATOM 237 CA LEU A 25 2.761 -7.803 -6.089 1.00 22.43 C ATOM 238 C LEU A 25 3.132 -6.478 -5.431 1.00 50.14 C ATOM 239 O LEU A 25 2.416 -5.486 -5.566 1.00 61.22 O ATOM 240 CB LEU A 25 3.607 -8.017 -7.345 1.00 42.12 C ATOM 241 CG LEU A 25 4.406 -9.320 -7.403 1.00 51.52 C ATOM 242 CD1 LEU A 25 5.282 -9.464 -6.169 1.00 3.33 C ATOM 243 CD2 LEU A 25 3.471 -10.513 -7.538 1.00 42.33 C ATOM 0 H LEU A 25 0.960 -6.948 -6.738 1.00 53.34 H new ATOM 0 HA LEU A 25 2.963 -8.607 -5.381 1.00 22.43 H new ATOM 0 HB2 LEU A 25 2.949 -7.979 -8.213 1.00 42.12 H new ATOM 0 HB3 LEU A 25 4.303 -7.183 -7.436 1.00 42.12 H new ATOM 0 HG LEU A 25 5.052 -9.289 -8.280 1.00 51.52 H new ATOM 0 HD11 LEU A 25 5.843 -10.397 -6.228 1.00 3.33 H new ATOM 0 HD12 LEU A 25 5.977 -8.626 -6.116 1.00 3.33 H new ATOM 0 HD13 LEU A 25 4.655 -9.473 -5.277 1.00 3.33 H new ATOM 0 HD21 LEU A 25 4.057 -11.432 -7.578 1.00 42.33 H new ATOM 0 HD22 LEU A 25 2.799 -10.548 -6.680 1.00 42.33 H new ATOM 0 HD23 LEU A 25 2.886 -10.415 -8.453 1.00 42.33 H new ATOM 255 N GLU A 26 4.256 -6.469 -4.722 1.00 22.01 N ATOM 256 CA GLU A 26 4.722 -5.264 -4.045 1.00 61.32 C ATOM 257 C GLU A 26 5.816 -4.574 -4.855 1.00 24.34 C ATOM 258 O GLU A 26 6.946 -5.058 -4.932 1.00 33.30 O ATOM 259 CB GLU A 26 5.245 -5.607 -2.649 1.00 13.05 C ATOM 260 CG GLU A 26 6.286 -6.713 -2.643 1.00 23.22 C ATOM 261 CD GLU A 26 7.567 -6.305 -1.941 1.00 42.14 C ATOM 262 OE1 GLU A 26 7.489 -5.512 -0.980 1.00 2.05 O ATOM 263 OE2 GLU A 26 8.647 -6.777 -2.354 1.00 32.52 O ATOM 0 H GLU A 26 4.861 -7.282 -4.601 1.00 22.01 H new ATOM 0 HA GLU A 26 3.878 -4.581 -3.951 1.00 61.32 H new ATOM 0 HB2 GLU A 26 5.676 -4.711 -2.202 1.00 13.05 H new ATOM 0 HB3 GLU A 26 4.407 -5.905 -2.020 1.00 13.05 H new ATOM 0 HG2 GLU A 26 5.872 -7.594 -2.152 1.00 23.22 H new ATOM 0 HG3 GLU A 26 6.514 -6.998 -3.670 1.00 23.22 H new ATOM 270 N VAL A 27 5.473 -3.440 -5.457 1.00 72.30 N ATOM 271 CA VAL A 27 6.425 -2.683 -6.260 1.00 52.53 C ATOM 272 C VAL A 27 6.245 -1.183 -6.056 1.00 2.54 C ATOM 273 O VAL A 27 5.173 -0.723 -5.663 1.00 61.31 O ATOM 274 CB VAL A 27 6.277 -3.006 -7.759 1.00 25.30 C ATOM 275 CG1 VAL A 27 7.471 -2.477 -8.540 1.00 13.33 C ATOM 276 CG2 VAL A 27 6.117 -4.505 -7.967 1.00 14.34 C ATOM 0 H VAL A 27 4.543 -3.025 -5.404 1.00 72.30 H new ATOM 0 HA VAL A 27 7.421 -2.976 -5.929 1.00 52.53 H new ATOM 0 HB VAL A 27 5.380 -2.512 -8.133 1.00 25.30 H new ATOM 0 HG11 VAL A 27 7.349 -2.715 -9.597 1.00 13.33 H new ATOM 0 HG12 VAL A 27 7.537 -1.396 -8.416 1.00 13.33 H new ATOM 0 HG13 VAL A 27 8.384 -2.941 -8.167 1.00 13.33 H new ATOM 0 HG21 VAL A 27 6.014 -4.716 -9.031 1.00 14.34 H new ATOM 0 HG22 VAL A 27 6.994 -5.022 -7.578 1.00 14.34 H new ATOM 0 HG23 VAL A 27 5.228 -4.853 -7.440 1.00 14.34 H new ATOM 286 N ALA A 28 7.302 -0.423 -6.325 1.00 23.42 N ATOM 287 CA ALA A 28 7.261 1.026 -6.173 1.00 31.33 C ATOM 288 C ALA A 28 7.368 1.723 -7.525 1.00 30.23 C ATOM 289 O ALA A 28 8.387 1.644 -8.212 1.00 15.11 O ATOM 290 CB ALA A 28 8.375 1.491 -5.247 1.00 11.21 C ATOM 0 H ALA A 28 8.198 -0.787 -6.650 1.00 23.42 H new ATOM 0 HA ALA A 28 6.301 1.293 -5.731 1.00 31.33 H new ATOM 0 HB1 ALA A 28 8.333 2.575 -5.143 1.00 11.21 H new ATOM 0 HB2 ALA A 28 8.252 1.027 -4.268 1.00 11.21 H new ATOM 0 HB3 ALA A 28 9.340 1.204 -5.666 1.00 11.21 H new ATOM 296 N PRO A 29 6.293 2.422 -7.918 1.00 33.32 N ATOM 297 CA PRO A 29 6.242 3.146 -9.191 1.00 53.22 C ATOM 298 C PRO A 29 7.159 4.364 -9.202 1.00 41.23 C ATOM 299 O PRO A 29 7.421 4.946 -10.254 1.00 64.42 O ATOM 300 CB PRO A 29 4.777 3.579 -9.295 1.00 21.04 C ATOM 301 CG PRO A 29 4.299 3.638 -7.885 1.00 1.22 C ATOM 302 CD PRO A 29 5.044 2.559 -7.149 1.00 62.23 C ATOM 0 HA PRO A 29 6.579 2.529 -10.024 1.00 53.22 H new ATOM 0 HB2 PRO A 29 4.684 4.548 -9.785 1.00 21.04 H new ATOM 0 HB3 PRO A 29 4.195 2.868 -9.881 1.00 21.04 H new ATOM 0 HG2 PRO A 29 4.496 4.616 -7.447 1.00 1.22 H new ATOM 0 HG3 PRO A 29 3.223 3.475 -7.831 1.00 1.22 H new ATOM 0 HD2 PRO A 29 5.238 2.839 -6.114 1.00 62.23 H new ATOM 0 HD3 PRO A 29 4.481 1.626 -7.127 1.00 62.23 H new ATOM 310 N ASN A 30 7.644 4.745 -8.025 1.00 24.51 N ATOM 311 CA ASN A 30 8.533 5.894 -7.900 1.00 0.23 C ATOM 312 C ASN A 30 9.985 5.487 -8.130 1.00 22.35 C ATOM 313 O ASN A 30 10.904 6.273 -7.902 1.00 64.33 O ATOM 314 CB ASN A 30 8.383 6.533 -6.517 1.00 64.34 C ATOM 315 CG ASN A 30 8.937 5.654 -5.412 1.00 14.31 C ATOM 316 OD1 ASN A 30 8.598 4.475 -5.313 1.00 31.13 O ATOM 317 ND2 ASN A 30 9.793 6.227 -4.574 1.00 12.22 N ATOM 0 H ASN A 30 7.436 4.275 -7.144 1.00 24.51 H new ATOM 0 HA ASN A 30 8.254 6.622 -8.662 1.00 0.23 H new ATOM 0 HB2 ASN A 30 8.897 7.494 -6.506 1.00 64.34 H new ATOM 0 HB3 ASN A 30 7.329 6.733 -6.324 1.00 64.34 H new ATOM 0 HD21 ASN A 30 10.198 5.686 -3.810 1.00 12.22 H new ATOM 0 HD22 ASN A 30 10.045 7.208 -4.694 1.00 12.22 H new ATOM 324 N ALA A 31 10.183 4.253 -8.582 1.00 63.01 N ATOM 325 CA ALA A 31 11.523 3.742 -8.845 1.00 73.24 C ATOM 326 C ALA A 31 11.828 3.746 -10.339 1.00 61.05 C ATOM 327 O ALA A 31 12.546 4.615 -10.835 1.00 41.21 O ATOM 328 CB ALA A 31 11.673 2.338 -8.278 1.00 51.10 C ATOM 0 H ALA A 31 9.433 3.589 -8.774 1.00 63.01 H new ATOM 0 HA ALA A 31 12.239 4.400 -8.352 1.00 73.24 H new ATOM 0 HB1 ALA A 31 12.678 1.969 -8.482 1.00 51.10 H new ATOM 0 HB2 ALA A 31 11.506 2.361 -7.201 1.00 51.10 H new ATOM 0 HB3 ALA A 31 10.942 1.677 -8.745 1.00 51.10 H new ATOM 334 N THR A 32 11.279 2.768 -11.054 1.00 11.51 N ATOM 335 CA THR A 32 11.494 2.658 -12.491 1.00 41.51 C ATOM 336 C THR A 32 10.374 1.867 -13.156 1.00 14.11 C ATOM 337 O THR A 32 9.859 0.903 -12.588 1.00 45.14 O ATOM 338 CB THR A 32 12.842 1.983 -12.807 1.00 72.13 C ATOM 339 OG1 THR A 32 13.469 1.549 -11.595 1.00 52.41 O ATOM 340 CG2 THR A 32 13.765 2.938 -13.548 1.00 62.04 C ATOM 0 H THR A 32 10.682 2.041 -10.660 1.00 11.51 H new ATOM 0 HA THR A 32 11.502 3.673 -12.888 1.00 41.51 H new ATOM 0 HB THR A 32 12.650 1.120 -13.445 1.00 72.13 H new ATOM 0 HG1 THR A 32 14.325 1.120 -11.805 1.00 52.41 H new ATOM 0 HG21 THR A 32 14.711 2.439 -13.760 1.00 62.04 H new ATOM 0 HG22 THR A 32 13.297 3.243 -14.484 1.00 62.04 H new ATOM 0 HG23 THR A 32 13.949 3.818 -12.931 1.00 62.04 H new ATOM 348 N VAL A 33 9.999 2.280 -14.363 1.00 22.22 N ATOM 349 CA VAL A 33 8.940 1.608 -15.106 1.00 62.21 C ATOM 350 C VAL A 33 9.377 0.216 -15.548 1.00 21.30 C ATOM 351 O VAL A 33 8.643 -0.758 -15.384 1.00 24.02 O ATOM 352 CB VAL A 33 8.522 2.420 -16.346 1.00 1.40 C ATOM 353 CG1 VAL A 33 7.446 1.684 -17.129 1.00 63.14 C ATOM 354 CG2 VAL A 33 8.042 3.805 -15.938 1.00 44.10 C ATOM 0 H VAL A 33 10.413 3.077 -14.847 1.00 22.22 H new ATOM 0 HA VAL A 33 8.087 1.522 -14.433 1.00 62.21 H new ATOM 0 HB VAL A 33 9.392 2.537 -16.992 1.00 1.40 H new ATOM 0 HG11 VAL A 33 7.164 2.273 -18.001 1.00 63.14 H new ATOM 0 HG12 VAL A 33 7.829 0.717 -17.453 1.00 63.14 H new ATOM 0 HG13 VAL A 33 6.573 1.534 -16.494 1.00 63.14 H new ATOM 0 HG21 VAL A 33 7.751 4.365 -16.826 1.00 44.10 H new ATOM 0 HG22 VAL A 33 7.185 3.711 -15.271 1.00 44.10 H new ATOM 0 HG23 VAL A 33 8.846 4.332 -15.424 1.00 44.10 H new ATOM 364 N GLY A 34 10.579 0.129 -16.110 1.00 21.01 N ATOM 365 CA GLY A 34 11.094 -1.149 -16.567 1.00 0.42 C ATOM 366 C GLY A 34 11.267 -2.142 -15.435 1.00 61.11 C ATOM 367 O GLY A 34 11.095 -3.346 -15.625 1.00 45.33 O ATOM 0 H GLY A 34 11.205 0.921 -16.257 1.00 21.01 H new ATOM 0 HA2 GLY A 34 10.415 -1.566 -17.311 1.00 0.42 H new ATOM 0 HA3 GLY A 34 12.053 -0.995 -17.061 1.00 0.42 H new ATOM 371 N ALA A 35 11.610 -1.638 -14.254 1.00 53.22 N ATOM 372 CA ALA A 35 11.806 -2.490 -13.088 1.00 11.53 C ATOM 373 C ALA A 35 10.500 -3.157 -12.670 1.00 22.24 C ATOM 374 O ALA A 35 10.465 -4.357 -12.396 1.00 14.14 O ATOM 375 CB ALA A 35 12.380 -1.681 -11.934 1.00 42.52 C ATOM 0 H ALA A 35 11.758 -0.644 -14.080 1.00 53.22 H new ATOM 0 HA ALA A 35 12.515 -3.274 -13.356 1.00 11.53 H new ATOM 0 HB1 ALA A 35 12.521 -2.330 -11.070 1.00 42.52 H new ATOM 0 HB2 ALA A 35 13.339 -1.256 -12.229 1.00 42.52 H new ATOM 0 HB3 ALA A 35 11.691 -0.877 -11.675 1.00 42.52 H new ATOM 381 N VAL A 36 9.428 -2.372 -12.622 1.00 23.40 N ATOM 382 CA VAL A 36 8.120 -2.888 -12.237 1.00 72.05 C ATOM 383 C VAL A 36 7.582 -3.857 -13.284 1.00 54.23 C ATOM 384 O VAL A 36 7.087 -4.934 -12.952 1.00 30.12 O ATOM 385 CB VAL A 36 7.104 -1.748 -12.039 1.00 14.25 C ATOM 386 CG1 VAL A 36 5.808 -2.284 -11.448 1.00 42.23 C ATOM 387 CG2 VAL A 36 7.692 -0.659 -11.154 1.00 53.20 C ATOM 0 H VAL A 36 9.440 -1.377 -12.845 1.00 23.40 H new ATOM 0 HA VAL A 36 8.253 -3.415 -11.292 1.00 72.05 H new ATOM 0 HB VAL A 36 6.879 -1.312 -13.012 1.00 14.25 H new ATOM 0 HG11 VAL A 36 5.102 -1.464 -11.315 1.00 42.23 H new ATOM 0 HG12 VAL A 36 5.380 -3.026 -12.122 1.00 42.23 H new ATOM 0 HG13 VAL A 36 6.012 -2.747 -10.482 1.00 42.23 H new ATOM 0 HG21 VAL A 36 6.961 0.139 -11.024 1.00 53.20 H new ATOM 0 HG22 VAL A 36 7.947 -1.079 -10.181 1.00 53.20 H new ATOM 0 HG23 VAL A 36 8.590 -0.256 -11.622 1.00 53.20 H new ATOM 397 N ARG A 37 7.682 -3.467 -14.551 1.00 11.42 N ATOM 398 CA ARG A 37 7.204 -4.300 -15.647 1.00 64.42 C ATOM 399 C ARG A 37 7.944 -5.635 -15.677 1.00 52.13 C ATOM 400 O ARG A 37 7.348 -6.682 -15.931 1.00 33.43 O ATOM 401 CB ARG A 37 7.383 -3.576 -16.983 1.00 4.24 C ATOM 402 CG ARG A 37 7.120 -4.456 -18.193 1.00 54.03 C ATOM 403 CD ARG A 37 7.095 -3.643 -19.478 1.00 74.02 C ATOM 404 NE ARG A 37 8.403 -3.604 -20.126 1.00 54.55 N ATOM 405 CZ ARG A 37 8.655 -2.910 -21.231 1.00 12.10 C ATOM 406 NH1 ARG A 37 7.693 -2.201 -21.807 1.00 24.42 N ATOM 407 NH2 ARG A 37 9.871 -2.924 -21.761 1.00 40.24 N ATOM 0 H ARG A 37 8.090 -2.579 -14.843 1.00 11.42 H new ATOM 0 HA ARG A 37 6.144 -4.494 -15.486 1.00 64.42 H new ATOM 0 HB2 ARG A 37 6.710 -2.719 -17.015 1.00 4.24 H new ATOM 0 HB3 ARG A 37 8.399 -3.186 -17.042 1.00 4.24 H new ATOM 0 HG2 ARG A 37 7.892 -5.223 -18.261 1.00 54.03 H new ATOM 0 HG3 ARG A 37 6.168 -4.972 -18.069 1.00 54.03 H new ATOM 0 HD2 ARG A 37 6.363 -4.071 -20.163 1.00 74.02 H new ATOM 0 HD3 ARG A 37 6.769 -2.626 -19.258 1.00 74.02 H new ATOM 0 HE ARG A 37 9.165 -4.138 -19.708 1.00 54.55 H new ATOM 0 HH11 ARG A 37 6.757 -2.188 -21.402 1.00 24.42 H new ATOM 0 HH12 ARG A 37 7.889 -1.669 -22.655 1.00 24.42 H new ATOM 0 HH21 ARG A 37 10.613 -3.468 -21.320 1.00 40.24 H new ATOM 0 HH22 ARG A 37 10.064 -2.391 -22.609 1.00 40.24 H new ATOM 421 N THR A 38 9.247 -5.590 -15.417 1.00 52.34 N ATOM 422 CA THR A 38 10.068 -6.794 -15.416 1.00 41.43 C ATOM 423 C THR A 38 9.746 -7.678 -14.217 1.00 74.13 C ATOM 424 O THR A 38 9.759 -8.905 -14.316 1.00 73.33 O ATOM 425 CB THR A 38 11.569 -6.450 -15.397 1.00 4.51 C ATOM 426 OG1 THR A 38 11.907 -5.663 -16.545 1.00 73.42 O ATOM 427 CG2 THR A 38 12.414 -7.714 -15.376 1.00 23.40 C ATOM 0 H THR A 38 9.756 -4.732 -15.204 1.00 52.34 H new ATOM 0 HA THR A 38 9.838 -7.334 -16.334 1.00 41.43 H new ATOM 0 HB THR A 38 11.776 -5.879 -14.492 1.00 4.51 H new ATOM 0 HG1 THR A 38 11.421 -4.812 -16.513 1.00 73.42 H new ATOM 0 HG21 THR A 38 13.470 -7.445 -15.363 1.00 23.40 H new ATOM 0 HG22 THR A 38 12.176 -8.296 -14.485 1.00 23.40 H new ATOM 0 HG23 THR A 38 12.202 -8.308 -16.265 1.00 23.40 H new ATOM 435 N LYS A 39 9.455 -7.048 -13.084 1.00 44.12 N ATOM 436 CA LYS A 39 9.127 -7.777 -11.865 1.00 70.10 C ATOM 437 C LYS A 39 7.827 -8.557 -12.031 1.00 72.32 C ATOM 438 O LYS A 39 7.745 -9.731 -11.670 1.00 21.32 O ATOM 439 CB LYS A 39 9.007 -6.810 -10.685 1.00 33.42 C ATOM 440 CG LYS A 39 10.283 -6.682 -9.871 1.00 40.24 C ATOM 441 CD LYS A 39 10.228 -7.527 -8.610 1.00 60.31 C ATOM 442 CE LYS A 39 10.883 -8.884 -8.820 1.00 31.05 C ATOM 443 NZ LYS A 39 11.090 -9.605 -7.533 1.00 14.32 N ATOM 0 H LYS A 39 9.440 -6.033 -12.985 1.00 44.12 H new ATOM 0 HA LYS A 39 9.932 -8.485 -11.667 1.00 70.10 H new ATOM 0 HB2 LYS A 39 8.725 -5.826 -11.060 1.00 33.42 H new ATOM 0 HB3 LYS A 39 8.201 -7.145 -10.032 1.00 33.42 H new ATOM 0 HG2 LYS A 39 11.135 -6.988 -10.478 1.00 40.24 H new ATOM 0 HG3 LYS A 39 10.441 -5.637 -9.603 1.00 40.24 H new ATOM 0 HD2 LYS A 39 10.729 -7.002 -7.797 1.00 60.31 H new ATOM 0 HD3 LYS A 39 9.190 -7.666 -8.308 1.00 60.31 H new ATOM 0 HE2 LYS A 39 10.261 -9.489 -9.479 1.00 31.05 H new ATOM 0 HE3 LYS A 39 11.842 -8.751 -9.320 1.00 31.05 H new ATOM 0 HZ1 LYS A 39 11.538 -10.525 -7.719 1.00 14.32 H new ATOM 0 HZ2 LYS A 39 11.704 -9.039 -6.913 1.00 14.32 H new ATOM 0 HZ3 LYS A 39 10.172 -9.755 -7.068 1.00 14.32 H new ATOM 457 N VAL A 40 6.812 -7.898 -12.582 1.00 4.13 N ATOM 458 CA VAL A 40 5.517 -8.531 -12.798 1.00 52.42 C ATOM 459 C VAL A 40 5.598 -9.587 -13.895 1.00 15.05 C ATOM 460 O VAL A 40 4.987 -10.652 -13.791 1.00 3.21 O ATOM 461 CB VAL A 40 4.442 -7.494 -13.177 1.00 63.23 C ATOM 462 CG1 VAL A 40 4.856 -6.728 -14.424 1.00 50.33 C ATOM 463 CG2 VAL A 40 3.096 -8.173 -13.381 1.00 22.03 C ATOM 0 H VAL A 40 6.862 -6.926 -12.887 1.00 4.13 H new ATOM 0 HA VAL A 40 5.237 -9.008 -11.859 1.00 52.42 H new ATOM 0 HB VAL A 40 4.344 -6.782 -12.358 1.00 63.23 H new ATOM 0 HG11 VAL A 40 4.085 -6.000 -14.677 1.00 50.33 H new ATOM 0 HG12 VAL A 40 5.797 -6.210 -14.237 1.00 50.33 H new ATOM 0 HG13 VAL A 40 4.984 -7.424 -15.253 1.00 50.33 H new ATOM 0 HG21 VAL A 40 2.348 -7.426 -13.648 1.00 22.03 H new ATOM 0 HG22 VAL A 40 3.177 -8.908 -14.182 1.00 22.03 H new ATOM 0 HG23 VAL A 40 2.797 -8.672 -12.459 1.00 22.03 H new ATOM 473 N CYS A 41 6.354 -9.286 -14.944 1.00 3.22 N ATOM 474 CA CYS A 41 6.515 -10.210 -16.061 1.00 2.21 C ATOM 475 C CYS A 41 7.177 -11.505 -15.604 1.00 25.42 C ATOM 476 O CYS A 41 6.741 -12.598 -15.964 1.00 34.11 O ATOM 477 CB CYS A 41 7.346 -9.562 -17.170 1.00 75.10 C ATOM 478 SG CYS A 41 6.378 -8.575 -18.336 1.00 30.30 S ATOM 0 H CYS A 41 6.865 -8.409 -15.045 1.00 3.22 H new ATOM 0 HA CYS A 41 5.525 -10.447 -16.450 1.00 2.21 H new ATOM 0 HB2 CYS A 41 8.106 -8.926 -16.716 1.00 75.10 H new ATOM 0 HB3 CYS A 41 7.871 -10.343 -17.720 1.00 75.10 H new ATOM 0 HG CYS A 41 6.294 -7.352 -17.904 1.00 30.30 H new ATOM 484 N ALA A 42 8.235 -11.375 -14.810 1.00 21.13 N ATOM 485 CA ALA A 42 8.958 -12.535 -14.303 1.00 73.32 C ATOM 486 C ALA A 42 8.071 -13.381 -13.396 1.00 32.12 C ATOM 487 O ALA A 42 8.078 -14.609 -13.475 1.00 71.22 O ATOM 488 CB ALA A 42 10.209 -12.094 -13.559 1.00 1.12 C ATOM 0 H ALA A 42 8.611 -10.477 -14.504 1.00 21.13 H new ATOM 0 HA ALA A 42 9.253 -13.149 -15.154 1.00 73.32 H new ATOM 0 HB1 ALA A 42 10.739 -12.971 -13.186 1.00 1.12 H new ATOM 0 HB2 ALA A 42 10.858 -11.539 -14.236 1.00 1.12 H new ATOM 0 HB3 ALA A 42 9.928 -11.456 -12.721 1.00 1.12 H new ATOM 494 N MET A 43 7.309 -12.716 -12.534 1.00 12.12 N ATOM 495 CA MET A 43 6.416 -13.408 -11.612 1.00 11.15 C ATOM 496 C MET A 43 5.402 -14.258 -12.371 1.00 50.41 C ATOM 497 O MET A 43 4.933 -15.280 -11.870 1.00 2.34 O ATOM 498 CB MET A 43 5.688 -12.400 -10.720 1.00 21.12 C ATOM 499 CG MET A 43 6.293 -12.269 -9.332 1.00 3.24 C ATOM 500 SD MET A 43 8.033 -11.795 -9.374 1.00 75.11 S ATOM 501 CE MET A 43 8.702 -12.847 -8.088 1.00 74.12 C ATOM 0 H MET A 43 7.292 -11.699 -12.455 1.00 12.12 H new ATOM 0 HA MET A 43 7.019 -14.066 -10.987 1.00 11.15 H new ATOM 0 HB2 MET A 43 5.698 -11.424 -11.205 1.00 21.12 H new ATOM 0 HB3 MET A 43 4.644 -12.698 -10.626 1.00 21.12 H new ATOM 0 HG2 MET A 43 5.732 -11.527 -8.764 1.00 3.24 H new ATOM 0 HG3 MET A 43 6.192 -13.218 -8.805 1.00 3.24 H new ATOM 0 HE1 MET A 43 9.773 -12.669 -7.993 1.00 74.12 H new ATOM 0 HE2 MET A 43 8.212 -12.621 -7.141 1.00 74.12 H new ATOM 0 HE3 MET A 43 8.529 -13.892 -8.346 1.00 74.12 H new ATOM 511 N LYS A 44 5.067 -13.829 -13.583 1.00 50.51 N ATOM 512 CA LYS A 44 4.109 -14.550 -14.413 1.00 43.30 C ATOM 513 C LYS A 44 4.826 -15.420 -15.440 1.00 45.02 C ATOM 514 O LYS A 44 4.199 -16.211 -16.145 1.00 45.24 O ATOM 515 CB LYS A 44 3.177 -13.566 -15.124 1.00 61.21 C ATOM 516 CG LYS A 44 2.624 -12.484 -14.212 1.00 64.43 C ATOM 517 CD LYS A 44 1.106 -12.454 -14.240 1.00 55.03 C ATOM 518 CE LYS A 44 0.512 -13.741 -13.689 1.00 30.23 C ATOM 519 NZ LYS A 44 -0.125 -14.560 -14.757 1.00 32.43 N ATOM 0 H LYS A 44 5.445 -12.985 -14.013 1.00 50.51 H new ATOM 0 HA LYS A 44 3.518 -15.197 -13.764 1.00 43.30 H new ATOM 0 HB2 LYS A 44 3.717 -13.096 -15.945 1.00 61.21 H new ATOM 0 HB3 LYS A 44 2.346 -14.118 -15.564 1.00 61.21 H new ATOM 0 HG2 LYS A 44 2.967 -12.657 -13.192 1.00 64.43 H new ATOM 0 HG3 LYS A 44 3.014 -11.514 -14.519 1.00 64.43 H new ATOM 0 HD2 LYS A 44 0.747 -11.607 -13.655 1.00 55.03 H new ATOM 0 HD3 LYS A 44 0.763 -12.303 -15.264 1.00 55.03 H new ATOM 0 HE2 LYS A 44 1.295 -14.323 -13.203 1.00 30.23 H new ATOM 0 HE3 LYS A 44 -0.228 -13.502 -12.925 1.00 30.23 H new ATOM 0 HZ1 LYS A 44 -1.157 -14.442 -14.716 1.00 32.43 H new ATOM 0 HZ2 LYS A 44 0.222 -14.249 -15.687 1.00 32.43 H new ATOM 0 HZ3 LYS A 44 0.115 -15.562 -14.616 1.00 32.43 H new ATOM 533 N LYS A 45 6.144 -15.270 -15.519 1.00 24.33 N ATOM 534 CA LYS A 45 6.948 -16.044 -16.457 1.00 62.23 C ATOM 535 C LYS A 45 6.575 -15.710 -17.898 1.00 34.01 C ATOM 536 O LYS A 45 6.224 -16.594 -18.680 1.00 71.52 O ATOM 537 CB LYS A 45 6.762 -17.542 -16.205 1.00 65.24 C ATOM 538 CG LYS A 45 6.849 -17.928 -14.739 1.00 11.32 C ATOM 539 CD LYS A 45 8.225 -17.634 -14.165 1.00 61.53 C ATOM 540 CE LYS A 45 9.252 -18.656 -14.631 1.00 11.44 C ATOM 541 NZ LYS A 45 10.183 -19.045 -13.535 1.00 54.12 N ATOM 0 H LYS A 45 6.678 -14.619 -14.944 1.00 24.33 H new ATOM 0 HA LYS A 45 7.995 -15.783 -16.301 1.00 62.23 H new ATOM 0 HB2 LYS A 45 5.792 -17.850 -16.596 1.00 65.24 H new ATOM 0 HB3 LYS A 45 7.520 -18.092 -16.762 1.00 65.24 H new ATOM 0 HG2 LYS A 45 6.094 -17.383 -14.173 1.00 11.32 H new ATOM 0 HG3 LYS A 45 6.627 -18.989 -14.628 1.00 11.32 H new ATOM 0 HD2 LYS A 45 8.541 -16.635 -14.467 1.00 61.53 H new ATOM 0 HD3 LYS A 45 8.175 -17.637 -13.076 1.00 61.53 H new ATOM 0 HE2 LYS A 45 8.739 -19.543 -15.004 1.00 11.44 H new ATOM 0 HE3 LYS A 45 9.823 -18.244 -15.463 1.00 11.44 H new ATOM 0 HZ1 LYS A 45 10.867 -19.742 -13.892 1.00 54.12 H new ATOM 0 HZ2 LYS A 45 10.691 -18.203 -13.196 1.00 54.12 H new ATOM 0 HZ3 LYS A 45 9.641 -19.461 -12.751 1.00 54.12 H new ATOM 555 N LEU A 46 6.653 -14.430 -18.243 1.00 2.43 N ATOM 556 CA LEU A 46 6.325 -13.979 -19.591 1.00 12.33 C ATOM 557 C LEU A 46 7.561 -13.433 -20.299 1.00 13.24 C ATOM 558 O LEU A 46 8.553 -13.063 -19.671 1.00 2.21 O ATOM 559 CB LEU A 46 5.236 -12.905 -19.540 1.00 5.15 C ATOM 560 CG LEU A 46 3.797 -13.412 -19.445 1.00 21.24 C ATOM 561 CD1 LEU A 46 2.836 -12.254 -19.229 1.00 10.43 C ATOM 562 CD2 LEU A 46 3.423 -14.192 -20.697 1.00 13.14 C ATOM 0 H LEU A 46 6.941 -13.686 -17.608 1.00 2.43 H new ATOM 0 HA LEU A 46 5.956 -14.836 -20.154 1.00 12.33 H new ATOM 0 HB2 LEU A 46 5.430 -12.260 -18.683 1.00 5.15 H new ATOM 0 HB3 LEU A 46 5.323 -12.285 -20.432 1.00 5.15 H new ATOM 0 HG LEU A 46 3.724 -14.082 -18.588 1.00 21.24 H new ATOM 0 HD11 LEU A 46 1.817 -12.634 -19.164 1.00 10.43 H new ATOM 0 HD12 LEU A 46 3.090 -11.738 -18.303 1.00 10.43 H new ATOM 0 HD13 LEU A 46 2.911 -11.558 -20.065 1.00 10.43 H new ATOM 0 HD21 LEU A 46 2.395 -14.545 -20.612 1.00 13.14 H new ATOM 0 HD22 LEU A 46 3.513 -13.545 -21.569 1.00 13.14 H new ATOM 0 HD23 LEU A 46 4.092 -15.045 -20.808 1.00 13.14 H new ATOM 574 N PRO A 47 7.501 -13.379 -21.637 1.00 54.45 N ATOM 575 CA PRO A 47 8.605 -12.877 -22.460 1.00 4.42 C ATOM 576 C PRO A 47 8.802 -11.372 -22.310 1.00 2.10 C ATOM 577 O PRO A 47 7.965 -10.568 -22.721 1.00 63.01 O ATOM 578 CB PRO A 47 8.170 -13.219 -23.887 1.00 33.44 C ATOM 579 CG PRO A 47 6.683 -13.285 -23.823 1.00 52.03 C ATOM 580 CD PRO A 47 6.349 -13.803 -22.452 1.00 2.15 C ATOM 0 HA PRO A 47 9.559 -13.319 -22.174 1.00 4.42 H new ATOM 0 HB2 PRO A 47 8.503 -12.460 -24.595 1.00 33.44 H new ATOM 0 HB3 PRO A 47 8.595 -14.168 -24.214 1.00 33.44 H new ATOM 0 HG2 PRO A 47 6.242 -12.302 -23.987 1.00 52.03 H new ATOM 0 HG3 PRO A 47 6.288 -13.944 -24.596 1.00 52.03 H new ATOM 0 HD2 PRO A 47 5.416 -13.381 -22.079 1.00 2.15 H new ATOM 0 HD3 PRO A 47 6.232 -14.887 -22.449 1.00 2.15 H new ATOM 588 N PRO A 48 9.935 -10.980 -21.708 1.00 13.52 N ATOM 589 CA PRO A 48 10.268 -9.569 -21.491 1.00 41.40 C ATOM 590 C PRO A 48 10.593 -8.843 -22.792 1.00 61.23 C ATOM 591 O PRO A 48 10.431 -7.627 -22.893 1.00 51.12 O ATOM 592 CB PRO A 48 11.504 -9.631 -20.590 1.00 42.42 C ATOM 593 CG PRO A 48 12.119 -10.956 -20.882 1.00 3.32 C ATOM 594 CD PRO A 48 10.977 -11.883 -21.193 1.00 22.03 C ATOM 0 HA PRO A 48 9.435 -9.016 -21.058 1.00 41.40 H new ATOM 0 HB2 PRO A 48 12.195 -8.817 -20.809 1.00 42.42 H new ATOM 0 HB3 PRO A 48 11.232 -9.544 -19.538 1.00 42.42 H new ATOM 0 HG2 PRO A 48 12.808 -10.889 -21.724 1.00 3.32 H new ATOM 0 HG3 PRO A 48 12.693 -11.317 -20.028 1.00 3.32 H new ATOM 0 HD2 PRO A 48 11.259 -12.634 -21.931 1.00 22.03 H new ATOM 0 HD3 PRO A 48 10.641 -12.419 -20.305 1.00 22.03 H new ATOM 602 N ASP A 49 11.052 -9.597 -23.785 1.00 51.45 N ATOM 603 CA ASP A 49 11.398 -9.025 -25.082 1.00 23.23 C ATOM 604 C ASP A 49 10.164 -8.451 -25.770 1.00 11.24 C ATOM 605 O ASP A 49 10.214 -7.371 -26.359 1.00 52.32 O ATOM 606 CB ASP A 49 12.048 -10.085 -25.973 1.00 55.01 C ATOM 607 CG ASP A 49 13.561 -9.991 -25.976 1.00 33.43 C ATOM 608 OD1 ASP A 49 14.186 -10.478 -25.011 1.00 64.41 O ATOM 609 OD2 ASP A 49 14.119 -9.430 -26.942 1.00 22.51 O ATOM 0 H ASP A 49 11.193 -10.605 -23.717 1.00 51.45 H new ATOM 0 HA ASP A 49 12.108 -8.215 -24.917 1.00 23.23 H new ATOM 0 HB2 ASP A 49 11.749 -11.076 -25.631 1.00 55.01 H new ATOM 0 HB3 ASP A 49 11.678 -9.975 -26.992 1.00 55.01 H new ATOM 614 N THR A 50 9.055 -9.181 -25.692 1.00 4.34 N ATOM 615 CA THR A 50 7.809 -8.746 -26.308 1.00 53.52 C ATOM 616 C THR A 50 6.739 -8.479 -25.256 1.00 15.12 C ATOM 617 O THR A 50 5.727 -9.178 -25.192 1.00 73.04 O ATOM 618 CB THR A 50 7.281 -9.792 -27.307 1.00 74.41 C ATOM 619 OG1 THR A 50 5.976 -9.419 -27.764 1.00 71.10 O ATOM 620 CG2 THR A 50 7.224 -11.171 -26.667 1.00 31.13 C ATOM 0 H THR A 50 8.996 -10.077 -25.208 1.00 4.34 H new ATOM 0 HA THR A 50 8.027 -7.822 -26.843 1.00 53.52 H new ATOM 0 HB THR A 50 7.965 -9.830 -28.155 1.00 74.41 H new ATOM 0 HG1 THR A 50 5.416 -9.182 -26.996 1.00 71.10 H new ATOM 0 HG21 THR A 50 6.848 -11.893 -27.392 1.00 31.13 H new ATOM 0 HG22 THR A 50 8.224 -11.465 -26.347 1.00 31.13 H new ATOM 0 HG23 THR A 50 6.560 -11.144 -25.803 1.00 31.13 H new ATOM 628 N THR A 51 6.967 -7.462 -24.430 1.00 62.22 N ATOM 629 CA THR A 51 6.023 -7.103 -23.380 1.00 32.32 C ATOM 630 C THR A 51 5.922 -5.590 -23.225 1.00 33.22 C ATOM 631 O THR A 51 6.928 -4.883 -23.277 1.00 51.11 O ATOM 632 CB THR A 51 6.425 -7.721 -22.027 1.00 44.23 C ATOM 633 OG1 THR A 51 5.339 -7.619 -21.100 1.00 23.43 O ATOM 634 CG2 THR A 51 7.652 -7.024 -21.458 1.00 11.20 C ATOM 0 H THR A 51 7.798 -6.872 -24.469 1.00 62.22 H new ATOM 0 HA THR A 51 5.053 -7.500 -23.678 1.00 32.32 H new ATOM 0 HB THR A 51 6.666 -8.772 -22.189 1.00 44.23 H new ATOM 0 HG1 THR A 51 5.631 -7.931 -20.218 1.00 23.43 H new ATOM 0 HG21 THR A 51 7.917 -7.477 -20.503 1.00 11.20 H new ATOM 0 HG22 THR A 51 8.485 -7.129 -22.153 1.00 11.20 H new ATOM 0 HG23 THR A 51 7.434 -5.966 -21.310 1.00 11.20 H new ATOM 642 N ARG A 52 4.701 -5.100 -23.033 1.00 44.12 N ATOM 643 CA ARG A 52 4.469 -3.670 -22.871 1.00 4.30 C ATOM 644 C ARG A 52 3.611 -3.394 -21.640 1.00 74.41 C ATOM 645 O ARG A 52 2.991 -4.304 -21.086 1.00 40.51 O ATOM 646 CB ARG A 52 3.792 -3.097 -24.117 1.00 41.32 C ATOM 647 CG ARG A 52 4.597 -2.003 -24.799 1.00 43.25 C ATOM 648 CD ARG A 52 3.726 -1.161 -25.718 1.00 41.43 C ATOM 649 NE ARG A 52 4.434 0.016 -26.217 1.00 33.23 N ATOM 650 CZ ARG A 52 5.289 -0.017 -27.233 1.00 13.43 C ATOM 651 NH1 ARG A 52 5.541 -1.160 -27.855 1.00 55.24 N ATOM 652 NH2 ARG A 52 5.893 1.096 -27.628 1.00 44.33 N ATOM 0 H ARG A 52 3.858 -5.672 -22.986 1.00 44.12 H new ATOM 0 HA ARG A 52 5.435 -3.184 -22.735 1.00 4.30 H new ATOM 0 HB2 ARG A 52 3.616 -3.904 -24.828 1.00 41.32 H new ATOM 0 HB3 ARG A 52 2.816 -2.699 -23.839 1.00 41.32 H new ATOM 0 HG2 ARG A 52 5.056 -1.364 -24.045 1.00 43.25 H new ATOM 0 HG3 ARG A 52 5.408 -2.451 -25.374 1.00 43.25 H new ATOM 0 HD2 ARG A 52 3.394 -1.769 -26.560 1.00 41.43 H new ATOM 0 HD3 ARG A 52 2.832 -0.845 -25.181 1.00 41.43 H new ATOM 0 HE ARG A 52 4.262 0.912 -25.760 1.00 33.23 H new ATOM 0 HH11 ARG A 52 5.078 -2.017 -27.554 1.00 55.24 H new ATOM 0 HH12 ARG A 52 6.198 -1.182 -28.635 1.00 55.24 H new ATOM 0 HH21 ARG A 52 5.701 1.977 -27.152 1.00 44.33 H new ATOM 0 HH22 ARG A 52 6.550 1.071 -28.408 1.00 44.33 H new ATOM 666 N LEU A 53 3.579 -2.136 -21.217 1.00 52.41 N ATOM 667 CA LEU A 53 2.796 -1.740 -20.051 1.00 44.11 C ATOM 668 C LEU A 53 2.060 -0.429 -20.309 1.00 33.30 C ATOM 669 O LEU A 53 2.629 0.520 -20.848 1.00 0.51 O ATOM 670 CB LEU A 53 3.704 -1.596 -18.828 1.00 50.12 C ATOM 671 CG LEU A 53 3.529 -2.650 -17.735 1.00 32.24 C ATOM 672 CD1 LEU A 53 2.154 -2.533 -17.096 1.00 33.22 C ATOM 673 CD2 LEU A 53 3.739 -4.047 -18.302 1.00 14.35 C ATOM 0 H LEU A 53 4.086 -1.372 -21.664 1.00 52.41 H new ATOM 0 HA LEU A 53 2.057 -2.518 -19.858 1.00 44.11 H new ATOM 0 HB2 LEU A 53 4.740 -1.620 -19.165 1.00 50.12 H new ATOM 0 HB3 LEU A 53 3.534 -0.613 -18.388 1.00 50.12 H new ATOM 0 HG LEU A 53 4.281 -2.476 -16.965 1.00 32.24 H new ATOM 0 HD11 LEU A 53 2.048 -3.291 -16.320 1.00 33.22 H new ATOM 0 HD12 LEU A 53 2.041 -1.543 -16.654 1.00 33.22 H new ATOM 0 HD13 LEU A 53 1.386 -2.681 -17.855 1.00 33.22 H new ATOM 0 HD21 LEU A 53 3.611 -4.784 -17.510 1.00 14.35 H new ATOM 0 HD22 LEU A 53 3.011 -4.232 -19.092 1.00 14.35 H new ATOM 0 HD23 LEU A 53 4.746 -4.126 -18.711 1.00 14.35 H new ATOM 685 N THR A 54 0.790 -0.383 -19.919 1.00 33.45 N ATOM 686 CA THR A 54 -0.025 0.810 -20.106 1.00 41.41 C ATOM 687 C THR A 54 -0.680 1.240 -18.799 1.00 34.24 C ATOM 688 O THR A 54 -1.297 0.429 -18.107 1.00 0.35 O ATOM 689 CB THR A 54 -1.120 0.583 -21.166 1.00 24.25 C ATOM 690 OG1 THR A 54 -1.052 -0.760 -21.659 1.00 50.42 O ATOM 691 CG2 THR A 54 -0.967 1.561 -22.320 1.00 51.51 C ATOM 0 H THR A 54 0.303 -1.160 -19.471 1.00 33.45 H new ATOM 0 HA THR A 54 0.645 1.598 -20.450 1.00 41.41 H new ATOM 0 HB THR A 54 -2.090 0.749 -20.697 1.00 24.25 H new ATOM 0 HG1 THR A 54 -1.752 -0.898 -22.331 1.00 50.42 H new ATOM 0 HG21 THR A 54 -1.751 1.381 -23.056 1.00 51.51 H new ATOM 0 HG22 THR A 54 -1.048 2.581 -21.945 1.00 51.51 H new ATOM 0 HG23 THR A 54 0.008 1.422 -22.788 1.00 51.51 H new ATOM 699 N TYR A 55 -0.544 2.519 -18.466 1.00 32.50 N ATOM 700 CA TYR A 55 -1.122 3.055 -17.240 1.00 13.13 C ATOM 701 C TYR A 55 -1.881 4.350 -17.516 1.00 61.40 C ATOM 702 O TYR A 55 -1.346 5.281 -18.117 1.00 4.40 O ATOM 703 CB TYR A 55 -0.027 3.304 -16.201 1.00 51.53 C ATOM 704 CG TYR A 55 -0.556 3.772 -14.864 1.00 43.21 C ATOM 705 CD1 TYR A 55 -1.415 2.975 -14.117 1.00 65.13 C ATOM 706 CD2 TYR A 55 -0.197 5.011 -14.348 1.00 15.30 C ATOM 707 CE1 TYR A 55 -1.901 3.398 -12.895 1.00 44.24 C ATOM 708 CE2 TYR A 55 -0.678 5.442 -13.126 1.00 45.14 C ATOM 709 CZ TYR A 55 -1.529 4.632 -12.404 1.00 41.20 C ATOM 710 OH TYR A 55 -2.010 5.058 -11.187 1.00 53.34 O ATOM 0 H TYR A 55 -0.038 3.204 -19.028 1.00 32.50 H new ATOM 0 HA TYR A 55 -1.825 2.320 -16.848 1.00 13.13 H new ATOM 0 HB2 TYR A 55 0.540 2.385 -16.056 1.00 51.53 H new ATOM 0 HB3 TYR A 55 0.667 4.049 -16.589 1.00 51.53 H new ATOM 0 HD1 TYR A 55 -1.708 2.008 -14.498 1.00 65.13 H new ATOM 0 HD2 TYR A 55 0.469 5.648 -14.911 1.00 15.30 H new ATOM 0 HE1 TYR A 55 -2.568 2.766 -12.328 1.00 44.24 H new ATOM 0 HE2 TYR A 55 -0.389 6.408 -12.739 1.00 45.14 H new ATOM 0 HH TYR A 55 -1.333 4.903 -10.495 1.00 53.34 H new ATOM 720 N LYS A 56 -3.132 4.400 -17.072 1.00 52.50 N ATOM 721 CA LYS A 56 -3.967 5.580 -17.268 1.00 62.11 C ATOM 722 C LYS A 56 -4.051 5.947 -18.746 1.00 40.31 C ATOM 723 O LYS A 56 -4.113 7.124 -19.101 1.00 33.42 O ATOM 724 CB LYS A 56 -3.412 6.761 -16.469 1.00 0.21 C ATOM 725 CG LYS A 56 -4.487 7.691 -15.933 1.00 44.52 C ATOM 726 CD LYS A 56 -4.033 9.141 -15.960 1.00 41.40 C ATOM 727 CE LYS A 56 -4.511 9.852 -17.217 1.00 32.11 C ATOM 728 NZ LYS A 56 -3.587 10.948 -17.620 1.00 15.21 N ATOM 0 H LYS A 56 -3.591 3.637 -16.574 1.00 52.50 H new ATOM 0 HA LYS A 56 -4.971 5.348 -16.912 1.00 62.11 H new ATOM 0 HB2 LYS A 56 -2.824 6.380 -15.634 1.00 0.21 H new ATOM 0 HB3 LYS A 56 -2.733 7.331 -17.103 1.00 0.21 H new ATOM 0 HG2 LYS A 56 -5.394 7.581 -16.528 1.00 44.52 H new ATOM 0 HG3 LYS A 56 -4.739 7.407 -14.911 1.00 44.52 H new ATOM 0 HD2 LYS A 56 -4.415 9.659 -15.080 1.00 41.40 H new ATOM 0 HD3 LYS A 56 -2.945 9.184 -15.908 1.00 41.40 H new ATOM 0 HE2 LYS A 56 -4.597 9.132 -18.031 1.00 32.11 H new ATOM 0 HE3 LYS A 56 -5.507 10.261 -17.046 1.00 32.11 H new ATOM 0 HZ1 LYS A 56 -3.948 11.408 -18.480 1.00 15.21 H new ATOM 0 HZ2 LYS A 56 -3.524 11.648 -16.854 1.00 15.21 H new ATOM 0 HZ3 LYS A 56 -2.643 10.555 -17.808 1.00 15.21 H new ATOM 742 N GLY A 57 -4.054 4.932 -19.605 1.00 23.13 N ATOM 743 CA GLY A 57 -4.132 5.169 -21.034 1.00 51.32 C ATOM 744 C GLY A 57 -2.850 5.750 -21.597 1.00 23.53 C ATOM 745 O GLY A 57 -2.810 6.186 -22.747 1.00 54.31 O ATOM 0 H GLY A 57 -4.004 3.949 -19.336 1.00 23.13 H new ATOM 0 HA2 GLY A 57 -4.356 4.231 -21.543 1.00 51.32 H new ATOM 0 HA3 GLY A 57 -4.958 5.850 -21.242 1.00 51.32 H new ATOM 749 N ARG A 58 -1.798 5.756 -20.784 1.00 34.13 N ATOM 750 CA ARG A 58 -0.509 6.290 -21.206 1.00 72.21 C ATOM 751 C ARG A 58 0.598 5.258 -21.008 1.00 54.14 C ATOM 752 O ARG A 58 0.573 4.482 -20.054 1.00 74.31 O ATOM 753 CB ARG A 58 -0.180 7.563 -20.425 1.00 3.12 C ATOM 754 CG ARG A 58 -0.596 8.840 -21.137 1.00 64.43 C ATOM 755 CD ARG A 58 0.602 9.732 -21.426 1.00 34.12 C ATOM 756 NE ARG A 58 0.821 10.713 -20.366 1.00 63.51 N ATOM 757 CZ ARG A 58 0.002 11.730 -20.125 1.00 33.44 C ATOM 758 NH1 ARG A 58 -1.086 11.898 -20.863 1.00 53.42 N ATOM 759 NH2 ARG A 58 0.270 12.580 -19.142 1.00 54.20 N ATOM 0 H ARG A 58 -1.814 5.397 -19.829 1.00 34.13 H new ATOM 0 HA ARG A 58 -0.573 6.530 -22.267 1.00 72.21 H new ATOM 0 HB2 ARG A 58 -0.674 7.521 -19.454 1.00 3.12 H new ATOM 0 HB3 ARG A 58 0.893 7.596 -20.236 1.00 3.12 H new ATOM 0 HG2 ARG A 58 -1.099 8.590 -22.071 1.00 64.43 H new ATOM 0 HG3 ARG A 58 -1.315 9.382 -20.523 1.00 64.43 H new ATOM 0 HD2 ARG A 58 1.494 9.116 -21.540 1.00 34.12 H new ATOM 0 HD3 ARG A 58 0.449 10.249 -22.373 1.00 34.12 H new ATOM 0 HE ARG A 58 1.649 10.611 -19.779 1.00 63.51 H new ATOM 0 HH11 ARG A 58 -1.296 11.245 -21.618 1.00 53.42 H new ATOM 0 HH12 ARG A 58 -1.713 12.680 -20.676 1.00 53.42 H new ATOM 0 HH21 ARG A 58 1.106 12.452 -18.571 1.00 54.20 H new ATOM 0 HH22 ARG A 58 -0.359 13.361 -18.957 1.00 54.20 H new ATOM 773 N ALA A 59 1.567 5.256 -21.918 1.00 0.45 N ATOM 774 CA ALA A 59 2.683 4.322 -21.842 1.00 61.13 C ATOM 775 C ALA A 59 3.905 4.976 -21.205 1.00 35.40 C ATOM 776 O ALA A 59 4.411 5.984 -21.699 1.00 71.24 O ATOM 777 CB ALA A 59 3.026 3.797 -23.229 1.00 21.25 C ATOM 0 H ALA A 59 1.601 5.891 -22.716 1.00 0.45 H new ATOM 0 HA ALA A 59 2.382 3.485 -21.212 1.00 61.13 H new ATOM 0 HB1 ALA A 59 3.861 3.100 -23.158 1.00 21.25 H new ATOM 0 HB2 ALA A 59 2.160 3.284 -23.648 1.00 21.25 H new ATOM 0 HB3 ALA A 59 3.302 4.630 -23.875 1.00 21.25 H new ATOM 783 N LEU A 60 4.373 4.397 -20.105 1.00 61.41 N ATOM 784 CA LEU A 60 5.536 4.924 -19.399 1.00 31.40 C ATOM 785 C LEU A 60 6.716 3.963 -19.501 1.00 23.02 C ATOM 786 O LEU A 60 6.536 2.756 -19.664 1.00 24.14 O ATOM 787 CB LEU A 60 5.194 5.175 -17.929 1.00 52.55 C ATOM 788 CG LEU A 60 3.794 5.723 -17.651 1.00 13.15 C ATOM 789 CD1 LEU A 60 3.490 5.678 -16.161 1.00 72.11 C ATOM 790 CD2 LEU A 60 3.661 7.143 -18.181 1.00 0.20 C ATOM 0 H LEU A 60 3.965 3.563 -19.683 1.00 61.41 H new ATOM 0 HA LEU A 60 5.818 5.867 -19.867 1.00 31.40 H new ATOM 0 HB2 LEU A 60 5.311 4.238 -17.384 1.00 52.55 H new ATOM 0 HB3 LEU A 60 5.924 5.874 -17.521 1.00 52.55 H new ATOM 0 HG LEU A 60 3.070 5.094 -18.169 1.00 13.15 H new ATOM 0 HD11 LEU A 60 2.490 6.072 -15.982 1.00 72.11 H new ATOM 0 HD12 LEU A 60 3.543 4.647 -15.810 1.00 72.11 H new ATOM 0 HD13 LEU A 60 4.220 6.282 -15.622 1.00 72.11 H new ATOM 0 HD21 LEU A 60 2.658 7.516 -17.974 1.00 0.20 H new ATOM 0 HD22 LEU A 60 4.395 7.784 -17.692 1.00 0.20 H new ATOM 0 HD23 LEU A 60 3.835 7.148 -19.257 1.00 0.20 H new ATOM 802 N LYS A 61 7.925 4.506 -19.402 1.00 12.34 N ATOM 803 CA LYS A 61 9.136 3.698 -19.479 1.00 1.32 C ATOM 804 C LYS A 61 10.331 4.454 -18.906 1.00 63.34 C ATOM 805 O LYS A 61 10.792 4.161 -17.803 1.00 14.44 O ATOM 806 CB LYS A 61 9.417 3.301 -20.930 1.00 5.33 C ATOM 807 CG LYS A 61 9.241 1.817 -21.199 1.00 54.14 C ATOM 808 CD LYS A 61 9.389 1.497 -22.677 1.00 40.34 C ATOM 809 CE LYS A 61 8.158 1.918 -23.465 1.00 50.42 C ATOM 810 NZ LYS A 61 8.498 2.868 -24.560 1.00 44.43 N ATOM 0 H LYS A 61 8.092 5.503 -19.268 1.00 12.34 H new ATOM 0 HA LYS A 61 8.981 2.797 -18.886 1.00 1.32 H new ATOM 0 HB2 LYS A 61 8.752 3.862 -21.587 1.00 5.33 H new ATOM 0 HB3 LYS A 61 10.436 3.590 -21.186 1.00 5.33 H new ATOM 0 HG2 LYS A 61 9.978 1.253 -20.628 1.00 54.14 H new ATOM 0 HG3 LYS A 61 8.258 1.498 -20.853 1.00 54.14 H new ATOM 0 HD2 LYS A 61 10.268 2.005 -23.074 1.00 40.34 H new ATOM 0 HD3 LYS A 61 9.555 0.427 -22.804 1.00 40.34 H new ATOM 0 HE2 LYS A 61 7.677 1.035 -23.886 1.00 50.42 H new ATOM 0 HE3 LYS A 61 7.437 2.383 -22.792 1.00 50.42 H new ATOM 0 HZ1 LYS A 61 7.632 3.131 -25.073 1.00 44.43 H new ATOM 0 HZ2 LYS A 61 8.934 3.722 -24.156 1.00 44.43 H new ATOM 0 HZ3 LYS A 61 9.166 2.416 -25.217 1.00 44.43 H new ATOM 824 N ASP A 62 10.828 5.426 -19.663 1.00 10.22 N ATOM 825 CA ASP A 62 11.968 6.225 -19.229 1.00 42.44 C ATOM 826 C ASP A 62 11.550 7.238 -18.168 1.00 12.11 C ATOM 827 O ASP A 62 12.388 7.933 -17.592 1.00 52.22 O ATOM 828 CB ASP A 62 12.595 6.948 -20.423 1.00 14.32 C ATOM 829 CG ASP A 62 14.094 7.120 -20.274 1.00 14.01 C ATOM 830 OD1 ASP A 62 14.754 6.176 -19.791 1.00 2.41 O ATOM 831 OD2 ASP A 62 14.606 8.198 -20.641 1.00 62.42 O ATOM 0 H ASP A 62 10.460 5.680 -20.580 1.00 10.22 H new ATOM 0 HA ASP A 62 12.706 5.552 -18.792 1.00 42.44 H new ATOM 0 HB2 ASP A 62 12.385 6.388 -21.334 1.00 14.32 H new ATOM 0 HB3 ASP A 62 12.129 7.927 -20.537 1.00 14.32 H new ATOM 836 N THR A 63 10.247 7.317 -17.914 1.00 3.55 N ATOM 837 CA THR A 63 9.717 8.246 -16.923 1.00 41.35 C ATOM 838 C THR A 63 10.302 7.971 -15.543 1.00 11.21 C ATOM 839 O THR A 63 10.267 8.830 -14.662 1.00 44.04 O ATOM 840 CB THR A 63 8.181 8.165 -16.843 1.00 50.43 C ATOM 841 OG1 THR A 63 7.776 6.827 -16.533 1.00 44.31 O ATOM 842 CG2 THR A 63 7.547 8.601 -18.156 1.00 11.03 C ATOM 0 H THR A 63 9.540 6.749 -18.381 1.00 3.55 H new ATOM 0 HA THR A 63 10.005 9.248 -17.243 1.00 41.35 H new ATOM 0 HB THR A 63 7.844 8.838 -16.054 1.00 50.43 H new ATOM 0 HG1 THR A 63 6.962 6.850 -15.988 1.00 44.31 H new ATOM 0 HG21 THR A 63 6.462 8.535 -18.076 1.00 11.03 H new ATOM 0 HG22 THR A 63 7.833 9.630 -18.374 1.00 11.03 H new ATOM 0 HG23 THR A 63 7.891 7.950 -18.960 1.00 11.03 H new ATOM 850 N GLU A 64 10.839 6.769 -15.362 1.00 31.45 N ATOM 851 CA GLU A 64 11.431 6.382 -14.087 1.00 22.35 C ATOM 852 C GLU A 64 10.371 6.319 -12.991 1.00 30.12 C ATOM 853 O GLU A 64 9.888 5.242 -12.638 1.00 51.35 O ATOM 854 CB GLU A 64 12.532 7.368 -13.690 1.00 62.32 C ATOM 855 CG GLU A 64 13.937 6.823 -13.889 1.00 11.45 C ATOM 856 CD GLU A 64 14.772 6.890 -12.625 1.00 2.22 C ATOM 857 OE1 GLU A 64 14.573 7.834 -11.832 1.00 13.23 O ATOM 858 OE2 GLU A 64 15.625 5.999 -12.429 1.00 0.52 O ATOM 0 H GLU A 64 10.876 6.047 -16.081 1.00 31.45 H new ATOM 0 HA GLU A 64 11.867 5.390 -14.205 1.00 22.35 H new ATOM 0 HB2 GLU A 64 12.419 8.281 -14.275 1.00 62.32 H new ATOM 0 HB3 GLU A 64 12.402 7.642 -12.643 1.00 62.32 H new ATOM 0 HG2 GLU A 64 13.877 5.788 -14.226 1.00 11.45 H new ATOM 0 HG3 GLU A 64 14.433 7.387 -14.678 1.00 11.45 H new ATOM 865 N THR A 65 10.013 7.482 -12.454 1.00 62.52 N ATOM 866 CA THR A 65 9.012 7.560 -11.398 1.00 23.02 C ATOM 867 C THR A 65 7.635 7.877 -11.968 1.00 73.00 C ATOM 868 O THR A 65 7.517 8.470 -13.042 1.00 20.55 O ATOM 869 CB THR A 65 9.381 8.630 -10.353 1.00 23.44 C ATOM 870 OG1 THR A 65 8.317 8.778 -9.407 1.00 15.23 O ATOM 871 CG2 THR A 65 9.662 9.966 -11.022 1.00 52.42 C ATOM 0 H THR A 65 10.402 8.382 -12.734 1.00 62.52 H new ATOM 0 HA THR A 65 8.986 6.583 -10.914 1.00 23.02 H new ATOM 0 HB THR A 65 10.284 8.305 -9.836 1.00 23.44 H new ATOM 0 HG1 THR A 65 8.560 9.459 -8.745 1.00 15.23 H new ATOM 0 HG21 THR A 65 9.920 10.705 -10.264 1.00 52.42 H new ATOM 0 HG22 THR A 65 10.492 9.856 -11.719 1.00 52.42 H new ATOM 0 HG23 THR A 65 8.775 10.296 -11.563 1.00 52.42 H new ATOM 879 N LEU A 66 6.594 7.480 -11.244 1.00 22.11 N ATOM 880 CA LEU A 66 5.223 7.723 -11.678 1.00 33.32 C ATOM 881 C LEU A 66 4.561 8.794 -10.817 1.00 51.00 C ATOM 882 O LEU A 66 3.490 9.299 -11.153 1.00 22.01 O ATOM 883 CB LEU A 66 4.410 6.428 -11.615 1.00 43.10 C ATOM 884 CG LEU A 66 3.616 6.073 -12.872 1.00 72.33 C ATOM 885 CD1 LEU A 66 2.933 4.724 -12.709 1.00 23.42 C ATOM 886 CD2 LEU A 66 2.593 7.156 -13.181 1.00 13.24 C ATOM 0 H LEU A 66 6.674 6.988 -10.354 1.00 22.11 H new ATOM 0 HA LEU A 66 5.252 8.077 -12.708 1.00 33.32 H new ATOM 0 HB2 LEU A 66 5.091 5.606 -11.395 1.00 43.10 H new ATOM 0 HB3 LEU A 66 3.715 6.499 -10.778 1.00 43.10 H new ATOM 0 HG LEU A 66 4.310 6.007 -13.710 1.00 72.33 H new ATOM 0 HD11 LEU A 66 2.373 4.488 -13.614 1.00 23.42 H new ATOM 0 HD12 LEU A 66 3.685 3.954 -12.537 1.00 23.42 H new ATOM 0 HD13 LEU A 66 2.251 4.762 -11.859 1.00 23.42 H new ATOM 0 HD21 LEU A 66 2.037 6.886 -14.079 1.00 13.24 H new ATOM 0 HD22 LEU A 66 1.903 7.254 -12.343 1.00 13.24 H new ATOM 0 HD23 LEU A 66 3.105 8.105 -13.343 1.00 13.24 H new ATOM 898 N GLU A 67 5.207 9.137 -9.707 1.00 21.20 N ATOM 899 CA GLU A 67 4.681 10.150 -8.799 1.00 71.53 C ATOM 900 C GLU A 67 4.489 11.480 -9.521 1.00 54.14 C ATOM 901 O GLU A 67 3.535 12.211 -9.254 1.00 51.25 O ATOM 902 CB GLU A 67 5.621 10.335 -7.607 1.00 1.34 C ATOM 903 CG GLU A 67 6.055 9.028 -6.965 1.00 4.44 C ATOM 904 CD GLU A 67 6.169 9.129 -5.456 1.00 4.01 C ATOM 905 OE1 GLU A 67 7.218 9.603 -4.971 1.00 42.42 O ATOM 906 OE2 GLU A 67 5.211 8.734 -4.760 1.00 71.32 O ATOM 0 H GLU A 67 6.095 8.729 -9.415 1.00 21.20 H new ATOM 0 HA GLU A 67 3.711 9.809 -8.438 1.00 71.53 H new ATOM 0 HB2 GLU A 67 6.506 10.881 -7.934 1.00 1.34 H new ATOM 0 HB3 GLU A 67 5.126 10.952 -6.857 1.00 1.34 H new ATOM 0 HG2 GLU A 67 5.339 8.247 -7.220 1.00 4.44 H new ATOM 0 HG3 GLU A 67 7.017 8.726 -7.379 1.00 4.44 H new ATOM 913 N SER A 68 5.402 11.787 -10.437 1.00 0.42 N ATOM 914 CA SER A 68 5.336 13.031 -11.195 1.00 4.43 C ATOM 915 C SER A 68 4.088 13.068 -12.072 1.00 5.04 C ATOM 916 O SER A 68 3.591 14.140 -12.420 1.00 23.20 O ATOM 917 CB SER A 68 6.587 13.192 -12.061 1.00 1.22 C ATOM 918 OG SER A 68 7.177 14.467 -11.873 1.00 24.34 O ATOM 0 H SER A 68 6.196 11.191 -10.672 1.00 0.42 H new ATOM 0 HA SER A 68 5.285 13.857 -10.486 1.00 4.43 H new ATOM 0 HB2 SER A 68 7.308 12.414 -11.812 1.00 1.22 H new ATOM 0 HB3 SER A 68 6.326 13.060 -13.111 1.00 1.22 H new ATOM 0 HG SER A 68 7.975 14.544 -12.436 1.00 24.34 H new ATOM 924 N LEU A 69 3.587 11.890 -12.425 1.00 61.23 N ATOM 925 CA LEU A 69 2.397 11.785 -13.262 1.00 74.00 C ATOM 926 C LEU A 69 1.157 11.517 -12.414 1.00 62.24 C ATOM 927 O LEU A 69 0.029 11.650 -12.886 1.00 40.44 O ATOM 928 CB LEU A 69 2.572 10.671 -14.296 1.00 3.23 C ATOM 929 CG LEU A 69 3.977 10.510 -14.877 1.00 5.23 C ATOM 930 CD1 LEU A 69 3.983 9.462 -15.978 1.00 72.42 C ATOM 931 CD2 LEU A 69 4.493 11.842 -15.403 1.00 72.20 C ATOM 0 H LEU A 69 3.986 10.994 -12.145 1.00 61.23 H new ATOM 0 HA LEU A 69 2.263 12.735 -13.780 1.00 74.00 H new ATOM 0 HB2 LEU A 69 2.280 9.727 -13.836 1.00 3.23 H new ATOM 0 HB3 LEU A 69 1.879 10.853 -15.118 1.00 3.23 H new ATOM 0 HG LEU A 69 4.642 10.174 -14.081 1.00 5.23 H new ATOM 0 HD11 LEU A 69 4.991 9.362 -16.379 1.00 72.42 H new ATOM 0 HD12 LEU A 69 3.657 8.505 -15.571 1.00 72.42 H new ATOM 0 HD13 LEU A 69 3.304 9.767 -16.775 1.00 72.42 H new ATOM 0 HD21 LEU A 69 5.494 11.708 -15.813 1.00 72.20 H new ATOM 0 HD22 LEU A 69 3.827 12.207 -16.185 1.00 72.20 H new ATOM 0 HD23 LEU A 69 4.528 12.566 -14.589 1.00 72.20 H new ATOM 943 N GLY A 70 1.376 11.139 -11.158 1.00 53.32 N ATOM 944 CA GLY A 70 0.267 10.861 -10.264 1.00 22.50 C ATOM 945 C GLY A 70 0.299 9.444 -9.725 1.00 42.11 C ATOM 946 O GLY A 70 -0.299 8.538 -10.305 1.00 63.32 O ATOM 0 H GLY A 70 2.301 11.020 -10.744 1.00 53.32 H new ATOM 0 HA2 GLY A 70 0.290 11.564 -9.431 1.00 22.50 H new ATOM 0 HA3 GLY A 70 -0.672 11.024 -10.793 1.00 22.50 H new ATOM 950 N VAL A 71 1.000 9.252 -8.612 1.00 64.43 N ATOM 951 CA VAL A 71 1.109 7.935 -7.995 1.00 52.12 C ATOM 952 C VAL A 71 0.003 7.717 -6.969 1.00 31.51 C ATOM 953 O VAL A 71 -0.366 8.632 -6.234 1.00 40.33 O ATOM 954 CB VAL A 71 2.475 7.748 -7.309 1.00 61.42 C ATOM 955 CG1 VAL A 71 2.659 8.769 -6.197 1.00 31.21 C ATOM 956 CG2 VAL A 71 2.611 6.331 -6.771 1.00 52.14 C ATOM 0 H VAL A 71 1.501 9.991 -8.119 1.00 64.43 H new ATOM 0 HA VAL A 71 1.009 7.201 -8.795 1.00 52.12 H new ATOM 0 HB VAL A 71 3.259 7.908 -8.049 1.00 61.42 H new ATOM 0 HG11 VAL A 71 3.630 8.621 -5.724 1.00 31.21 H new ATOM 0 HG12 VAL A 71 2.608 9.775 -6.614 1.00 31.21 H new ATOM 0 HG13 VAL A 71 1.871 8.644 -5.454 1.00 31.21 H new ATOM 0 HG21 VAL A 71 3.582 6.216 -6.289 1.00 52.14 H new ATOM 0 HG22 VAL A 71 1.821 6.140 -6.045 1.00 52.14 H new ATOM 0 HG23 VAL A 71 2.527 5.620 -7.593 1.00 52.14 H new ATOM 966 N ALA A 72 -0.522 6.497 -6.924 1.00 33.52 N ATOM 967 CA ALA A 72 -1.585 6.156 -5.986 1.00 2.43 C ATOM 968 C ALA A 72 -1.423 4.732 -5.467 1.00 35.43 C ATOM 969 O ALA A 72 -0.942 3.852 -6.180 1.00 63.33 O ATOM 970 CB ALA A 72 -2.946 6.329 -6.644 1.00 5.50 C ATOM 0 H ALA A 72 -0.228 5.728 -7.526 1.00 33.52 H new ATOM 0 HA ALA A 72 -1.517 6.834 -5.136 1.00 2.43 H new ATOM 0 HB1 ALA A 72 -3.730 6.071 -5.932 1.00 5.50 H new ATOM 0 HB2 ALA A 72 -3.069 7.365 -6.959 1.00 5.50 H new ATOM 0 HB3 ALA A 72 -3.016 5.675 -7.513 1.00 5.50 H new ATOM 976 N ASP A 73 -1.828 4.512 -4.221 1.00 35.52 N ATOM 977 CA ASP A 73 -1.729 3.193 -3.606 1.00 71.22 C ATOM 978 C ASP A 73 -2.914 2.318 -4.003 1.00 61.40 C ATOM 979 O ASP A 73 -4.069 2.685 -3.791 1.00 4.10 O ATOM 980 CB ASP A 73 -1.660 3.320 -2.084 1.00 15.14 C ATOM 981 CG ASP A 73 -2.836 4.090 -1.513 1.00 64.24 C ATOM 982 OD1 ASP A 73 -2.938 5.304 -1.788 1.00 34.43 O ATOM 983 OD2 ASP A 73 -3.652 3.479 -0.792 1.00 60.33 O ATOM 0 H ASP A 73 -2.228 5.230 -3.617 1.00 35.52 H new ATOM 0 HA ASP A 73 -0.815 2.720 -3.965 1.00 71.22 H new ATOM 0 HB2 ASP A 73 -1.631 2.325 -1.640 1.00 15.14 H new ATOM 0 HB3 ASP A 73 -0.732 3.820 -1.806 1.00 15.14 H new ATOM 988 N GLY A 74 -2.619 1.157 -4.582 1.00 2.43 N ATOM 989 CA GLY A 74 -3.670 0.249 -5.000 1.00 60.42 C ATOM 990 C GLY A 74 -4.051 0.433 -6.456 1.00 4.42 C ATOM 991 O GLY A 74 -5.123 0.007 -6.883 1.00 35.41 O ATOM 0 H GLY A 74 -1.671 0.830 -4.769 1.00 2.43 H new ATOM 0 HA2 GLY A 74 -3.343 -0.778 -4.840 1.00 60.42 H new ATOM 0 HA3 GLY A 74 -4.550 0.404 -4.375 1.00 60.42 H new ATOM 995 N ASP A 75 -3.171 1.072 -7.219 1.00 42.30 N ATOM 996 CA ASP A 75 -3.420 1.314 -8.635 1.00 73.44 C ATOM 997 C ASP A 75 -3.476 0.000 -9.409 1.00 31.21 C ATOM 998 O ASP A 75 -3.299 -1.077 -8.839 1.00 34.03 O ATOM 999 CB ASP A 75 -2.334 2.218 -9.220 1.00 31.03 C ATOM 1000 CG ASP A 75 -2.439 3.645 -8.720 1.00 3.51 C ATOM 1001 OD1 ASP A 75 -3.557 4.067 -8.359 1.00 32.31 O ATOM 1002 OD2 ASP A 75 -1.402 4.342 -8.691 1.00 31.33 O ATOM 0 H ASP A 75 -2.279 1.432 -6.880 1.00 42.30 H new ATOM 0 HA ASP A 75 -4.385 1.812 -8.728 1.00 73.44 H new ATOM 0 HB2 ASP A 75 -1.354 1.817 -8.963 1.00 31.03 H new ATOM 0 HB3 ASP A 75 -2.406 2.211 -10.308 1.00 31.03 H new ATOM 1007 N LYS A 76 -3.724 0.096 -10.711 1.00 31.33 N ATOM 1008 CA LYS A 76 -3.803 -1.084 -11.564 1.00 35.01 C ATOM 1009 C LYS A 76 -3.147 -0.823 -12.916 1.00 15.21 C ATOM 1010 O LYS A 76 -3.446 0.170 -13.581 1.00 33.43 O ATOM 1011 CB LYS A 76 -5.264 -1.496 -11.765 1.00 25.34 C ATOM 1012 CG LYS A 76 -6.167 -0.350 -12.186 1.00 22.15 C ATOM 1013 CD LYS A 76 -6.973 -0.702 -13.425 1.00 1.53 C ATOM 1014 CE LYS A 76 -8.121 -1.644 -13.095 1.00 5.55 C ATOM 1015 NZ LYS A 76 -8.732 -2.224 -14.322 1.00 33.01 N ATOM 0 H LYS A 76 -3.874 0.979 -11.199 1.00 31.33 H new ATOM 0 HA LYS A 76 -3.267 -1.895 -11.071 1.00 35.01 H new ATOM 0 HB2 LYS A 76 -5.311 -2.281 -12.520 1.00 25.34 H new ATOM 0 HB3 LYS A 76 -5.643 -1.924 -10.837 1.00 25.34 H new ATOM 0 HG2 LYS A 76 -6.844 -0.100 -11.369 1.00 22.15 H new ATOM 0 HG3 LYS A 76 -5.564 0.536 -12.383 1.00 22.15 H new ATOM 0 HD2 LYS A 76 -7.367 0.209 -13.875 1.00 1.53 H new ATOM 0 HD3 LYS A 76 -6.321 -1.167 -14.165 1.00 1.53 H new ATOM 0 HE2 LYS A 76 -7.758 -2.448 -12.455 1.00 5.55 H new ATOM 0 HE3 LYS A 76 -8.882 -1.105 -12.530 1.00 5.55 H new ATOM 0 HZ1 LYS A 76 -9.510 -2.860 -14.055 1.00 33.01 H new ATOM 0 HZ2 LYS A 76 -9.101 -1.458 -14.921 1.00 33.01 H new ATOM 0 HZ3 LYS A 76 -8.012 -2.759 -14.848 1.00 33.01 H new ATOM 1029 N PHE A 77 -2.253 -1.720 -13.318 1.00 14.11 N ATOM 1030 CA PHE A 77 -1.556 -1.586 -14.591 1.00 64.44 C ATOM 1031 C PHE A 77 -1.918 -2.731 -15.533 1.00 55.11 C ATOM 1032 O PHE A 77 -2.202 -3.845 -15.094 1.00 34.35 O ATOM 1033 CB PHE A 77 -0.042 -1.556 -14.367 1.00 54.43 C ATOM 1034 CG PHE A 77 0.418 -0.387 -13.543 1.00 31.50 C ATOM 1035 CD1 PHE A 77 0.227 -0.373 -12.171 1.00 20.04 C ATOM 1036 CD2 PHE A 77 1.042 0.696 -14.140 1.00 71.12 C ATOM 1037 CE1 PHE A 77 0.649 0.701 -11.410 1.00 51.00 C ATOM 1038 CE2 PHE A 77 1.466 1.773 -13.385 1.00 24.34 C ATOM 1039 CZ PHE A 77 1.270 1.775 -12.017 1.00 64.45 C ATOM 0 H PHE A 77 -1.994 -2.547 -12.780 1.00 14.11 H new ATOM 0 HA PHE A 77 -1.868 -0.648 -15.050 1.00 64.44 H new ATOM 0 HB2 PHE A 77 0.263 -2.480 -13.875 1.00 54.43 H new ATOM 0 HB3 PHE A 77 0.460 -1.529 -15.334 1.00 54.43 H new ATOM 0 HD1 PHE A 77 -0.257 -1.211 -11.691 1.00 20.04 H new ATOM 0 HD2 PHE A 77 1.199 0.699 -15.209 1.00 71.12 H new ATOM 0 HE1 PHE A 77 0.493 0.700 -10.341 1.00 51.00 H new ATOM 0 HE2 PHE A 77 1.950 2.612 -13.863 1.00 24.34 H new ATOM 0 HZ PHE A 77 1.602 2.614 -11.424 1.00 64.45 H new ATOM 1049 N VAL A 78 -1.908 -2.447 -16.832 1.00 25.03 N ATOM 1050 CA VAL A 78 -2.235 -3.451 -17.837 1.00 24.54 C ATOM 1051 C VAL A 78 -0.973 -4.013 -18.483 1.00 74.20 C ATOM 1052 O VAL A 78 -0.166 -3.270 -19.043 1.00 24.44 O ATOM 1053 CB VAL A 78 -3.146 -2.871 -18.934 1.00 71.22 C ATOM 1054 CG1 VAL A 78 -3.571 -3.961 -19.907 1.00 12.32 C ATOM 1055 CG2 VAL A 78 -4.360 -2.194 -18.316 1.00 22.25 C ATOM 0 H VAL A 78 -1.677 -1.529 -17.213 1.00 25.03 H new ATOM 0 HA VAL A 78 -2.764 -4.253 -17.323 1.00 24.54 H new ATOM 0 HB VAL A 78 -2.584 -2.120 -19.489 1.00 71.22 H new ATOM 0 HG11 VAL A 78 -4.214 -3.532 -20.675 1.00 12.32 H new ATOM 0 HG12 VAL A 78 -2.688 -4.396 -20.375 1.00 12.32 H new ATOM 0 HG13 VAL A 78 -4.116 -4.737 -19.369 1.00 12.32 H new ATOM 0 HG21 VAL A 78 -4.993 -1.790 -19.106 1.00 22.25 H new ATOM 0 HG22 VAL A 78 -4.926 -2.922 -17.735 1.00 22.25 H new ATOM 0 HG23 VAL A 78 -4.032 -1.384 -17.664 1.00 22.25 H new ATOM 1065 N LEU A 79 -0.810 -5.329 -18.403 1.00 72.11 N ATOM 1066 CA LEU A 79 0.354 -5.992 -18.981 1.00 75.32 C ATOM 1067 C LEU A 79 -0.021 -6.730 -20.263 1.00 1.03 C ATOM 1068 O LEU A 79 -0.899 -7.593 -20.259 1.00 62.54 O ATOM 1069 CB LEU A 79 0.960 -6.971 -17.974 1.00 71.23 C ATOM 1070 CG LEU A 79 2.212 -7.719 -18.435 1.00 55.22 C ATOM 1071 CD1 LEU A 79 3.136 -7.988 -17.258 1.00 62.12 C ATOM 1072 CD2 LEU A 79 1.831 -9.020 -19.126 1.00 23.52 C ATOM 0 H LEU A 79 -1.469 -5.958 -17.944 1.00 72.11 H new ATOM 0 HA LEU A 79 1.093 -5.229 -19.226 1.00 75.32 H new ATOM 0 HB2 LEU A 79 1.204 -6.421 -17.065 1.00 71.23 H new ATOM 0 HB3 LEU A 79 0.199 -7.705 -17.709 1.00 71.23 H new ATOM 0 HG LEU A 79 2.744 -7.093 -19.152 1.00 55.22 H new ATOM 0 HD11 LEU A 79 4.021 -8.521 -17.605 1.00 62.12 H new ATOM 0 HD12 LEU A 79 3.435 -7.042 -16.807 1.00 62.12 H new ATOM 0 HD13 LEU A 79 2.615 -8.594 -16.517 1.00 62.12 H new ATOM 0 HD21 LEU A 79 2.734 -9.539 -19.447 1.00 23.52 H new ATOM 0 HD22 LEU A 79 1.277 -9.652 -18.432 1.00 23.52 H new ATOM 0 HD23 LEU A 79 1.209 -8.802 -19.994 1.00 23.52 H new ATOM 1084 N ILE A 80 0.652 -6.385 -21.356 1.00 34.44 N ATOM 1085 CA ILE A 80 0.392 -7.017 -22.643 1.00 74.50 C ATOM 1086 C ILE A 80 1.570 -7.882 -23.079 1.00 52.21 C ATOM 1087 O ILE A 80 2.725 -7.566 -22.794 1.00 25.45 O ATOM 1088 CB ILE A 80 0.105 -5.971 -23.736 1.00 74.21 C ATOM 1089 CG1 ILE A 80 -0.400 -6.656 -25.008 1.00 45.22 C ATOM 1090 CG2 ILE A 80 1.354 -5.154 -24.028 1.00 1.43 C ATOM 1091 CD1 ILE A 80 -1.544 -5.925 -25.675 1.00 1.12 C ATOM 0 H ILE A 80 1.381 -5.672 -21.376 1.00 34.44 H new ATOM 0 HA ILE A 80 -0.489 -7.646 -22.513 1.00 74.50 H new ATOM 0 HB ILE A 80 -0.671 -5.295 -23.377 1.00 74.21 H new ATOM 0 HG12 ILE A 80 0.425 -6.745 -25.715 1.00 45.22 H new ATOM 0 HG13 ILE A 80 -0.720 -7.669 -24.763 1.00 45.22 H new ATOM 0 HG21 ILE A 80 1.135 -4.419 -24.803 1.00 1.43 H new ATOM 0 HG22 ILE A 80 1.674 -4.641 -23.121 1.00 1.43 H new ATOM 0 HG23 ILE A 80 2.150 -5.816 -24.370 1.00 1.43 H new ATOM 0 HD11 ILE A 80 -1.850 -6.467 -26.570 1.00 1.12 H new ATOM 0 HD12 ILE A 80 -2.385 -5.859 -24.985 1.00 1.12 H new ATOM 0 HD13 ILE A 80 -1.222 -4.921 -25.952 1.00 1.12 H new ATOM 1103 N THR A 81 1.270 -8.974 -23.775 1.00 32.21 N ATOM 1104 CA THR A 81 2.303 -9.884 -24.252 1.00 24.43 C ATOM 1105 C THR A 81 1.969 -10.418 -25.640 1.00 53.51 C ATOM 1106 O THR A 81 0.854 -10.878 -25.886 1.00 52.24 O ATOM 1107 CB THR A 81 2.493 -11.073 -23.290 1.00 11.40 C ATOM 1108 OG1 THR A 81 3.528 -11.935 -23.775 1.00 4.25 O ATOM 1109 CG2 THR A 81 1.200 -11.859 -23.140 1.00 75.44 C ATOM 0 H THR A 81 0.319 -9.250 -24.021 1.00 32.21 H new ATOM 0 HA THR A 81 3.229 -9.312 -24.299 1.00 24.43 H new ATOM 0 HB THR A 81 2.776 -10.680 -22.313 1.00 11.40 H new ATOM 0 HG1 THR A 81 3.269 -12.869 -23.632 1.00 4.25 H new ATOM 0 HG21 THR A 81 1.358 -12.693 -22.457 1.00 75.44 H new ATOM 0 HG22 THR A 81 0.422 -11.207 -22.743 1.00 75.44 H new ATOM 0 HG23 THR A 81 0.891 -12.241 -24.113 1.00 75.44 H new ATOM 1117 N ARG A 82 2.941 -10.353 -26.544 1.00 30.01 N ATOM 1118 CA ARG A 82 2.749 -10.829 -27.908 1.00 74.23 C ATOM 1119 C ARG A 82 3.390 -12.200 -28.101 1.00 60.22 C ATOM 1120 O ARG A 82 4.334 -12.561 -27.398 1.00 23.13 O ATOM 1121 CB ARG A 82 3.340 -9.833 -28.907 1.00 52.41 C ATOM 1122 CG ARG A 82 2.324 -9.289 -29.898 1.00 41.35 C ATOM 1123 CD ARG A 82 2.218 -10.175 -31.130 1.00 43.50 C ATOM 1124 NE ARG A 82 1.638 -9.465 -32.267 1.00 13.44 N ATOM 1125 CZ ARG A 82 0.338 -9.221 -32.395 1.00 2.11 C ATOM 1126 NH1 ARG A 82 -0.511 -9.628 -31.462 1.00 12.54 N ATOM 1127 NH2 ARG A 82 -0.114 -8.569 -33.458 1.00 40.43 N ATOM 0 H ARG A 82 3.870 -9.975 -26.356 1.00 30.01 H new ATOM 0 HA ARG A 82 1.678 -10.919 -28.086 1.00 74.23 H new ATOM 0 HB2 ARG A 82 3.782 -9.001 -28.359 1.00 52.41 H new ATOM 0 HB3 ARG A 82 4.147 -10.318 -29.456 1.00 52.41 H new ATOM 0 HG2 ARG A 82 1.349 -9.215 -29.417 1.00 41.35 H new ATOM 0 HG3 ARG A 82 2.610 -8.281 -30.197 1.00 41.35 H new ATOM 0 HD2 ARG A 82 3.209 -10.542 -31.399 1.00 43.50 H new ATOM 0 HD3 ARG A 82 1.607 -11.047 -30.898 1.00 43.50 H new ATOM 0 HE ARG A 82 2.265 -9.139 -33.003 1.00 13.44 H new ATOM 0 HH11 ARG A 82 -0.167 -10.130 -30.643 1.00 12.54 H new ATOM 0 HH12 ARG A 82 -1.508 -9.439 -31.563 1.00 12.54 H new ATOM 0 HH21 ARG A 82 0.536 -8.254 -34.178 1.00 40.43 H new ATOM 0 HH22 ARG A 82 -1.112 -8.382 -33.555 1.00 40.43 H new