USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 612 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 Single : A 9 MET CE :methyl -175:sc= 0 (180deg=-0.012) 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 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.705 F(o=-1.2,f=-0.7) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 38 THR OG1 : rot 77:sc= 1.29 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -84:sc= -0.096 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0.0814 (180deg=-0.239) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -27:sc= -0.952 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.2) USER MOD Single : A 63 THR OG1 : rot -170:sc= 0.0234 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -26:sc= 0.188 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 164:sc= -2.88! USER MOD Single : A 83 THR OG1 : rot -47:sc= 0.821 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 1.238 -0.433 -0.844 1.00 65.02 N ATOM 2 CA MET A 9 2.220 -0.641 -1.903 1.00 31.04 C ATOM 3 C MET A 9 1.945 -1.942 -2.651 1.00 5.25 C ATOM 4 O MET A 9 2.832 -2.783 -2.800 1.00 71.11 O ATOM 5 CB MET A 9 3.634 -0.663 -1.319 1.00 70.21 C ATOM 6 CG MET A 9 3.825 -1.705 -0.229 1.00 64.42 C ATOM 7 SD MET A 9 5.463 -1.631 0.523 1.00 75.53 S ATOM 8 CE MET A 9 6.145 -3.204 0.003 1.00 42.54 C ATOM 0 HA MET A 9 2.139 0.186 -2.608 1.00 31.04 H new ATOM 0 HB2 MET A 9 4.347 -0.854 -2.121 1.00 70.21 H new ATOM 0 HB3 MET A 9 3.866 0.322 -0.914 1.00 70.21 H new ATOM 0 HG2 MET A 9 3.068 -1.561 0.542 1.00 64.42 H new ATOM 0 HG3 MET A 9 3.667 -2.698 -0.649 1.00 64.42 H new ATOM 0 HE1 MET A 9 7.123 -3.347 0.463 1.00 42.54 H new ATOM 0 HE2 MET A 9 5.478 -4.009 0.311 1.00 42.54 H new ATOM 0 HE3 MET A 9 6.250 -3.214 -1.082 1.00 42.54 H new ATOM 18 N LYS A 10 0.712 -2.101 -3.119 1.00 22.14 N ATOM 19 CA LYS A 10 0.320 -3.299 -3.852 1.00 3.20 C ATOM 20 C LYS A 10 -0.377 -2.933 -5.158 1.00 62.05 C ATOM 21 O LYS A 10 -1.264 -2.079 -5.181 1.00 44.14 O ATOM 22 CB LYS A 10 -0.603 -4.168 -2.995 1.00 1.53 C ATOM 23 CG LYS A 10 0.119 -5.290 -2.269 1.00 73.13 C ATOM 24 CD LYS A 10 -0.817 -6.448 -1.963 1.00 45.20 C ATOM 25 CE LYS A 10 -1.873 -6.055 -0.942 1.00 33.51 C ATOM 26 NZ LYS A 10 -2.138 -7.151 0.031 1.00 33.31 N ATOM 0 H LYS A 10 -0.034 -1.415 -3.004 1.00 22.14 H new ATOM 0 HA LYS A 10 1.223 -3.862 -4.087 1.00 3.20 H new ATOM 0 HB2 LYS A 10 -1.105 -3.537 -2.262 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -1.378 -4.597 -3.631 1.00 1.53 H new ATOM 0 HG2 LYS A 10 0.950 -5.644 -2.879 1.00 73.13 H new ATOM 0 HG3 LYS A 10 0.544 -4.909 -1.340 1.00 73.13 H new ATOM 0 HD2 LYS A 10 -1.302 -6.778 -2.882 1.00 45.20 H new ATOM 0 HD3 LYS A 10 -0.241 -7.293 -1.586 1.00 45.20 H new ATOM 0 HE2 LYS A 10 -1.546 -5.164 -0.406 1.00 33.51 H new ATOM 0 HE3 LYS A 10 -2.798 -5.795 -1.457 1.00 33.51 H new ATOM 0 HZ1 LYS A 10 -2.863 -6.844 0.710 1.00 33.31 H new ATOM 0 HZ2 LYS A 10 -2.474 -7.993 -0.478 1.00 33.31 H new ATOM 0 HZ3 LYS A 10 -1.262 -7.382 0.541 1.00 33.31 H new ATOM 40 N ILE A 11 0.029 -3.585 -6.243 1.00 35.22 N ATOM 41 CA ILE A 11 -0.560 -3.330 -7.552 1.00 4.22 C ATOM 42 C ILE A 11 -0.989 -4.629 -8.225 1.00 20.14 C ATOM 43 O ILE A 11 -0.333 -5.661 -8.083 1.00 64.13 O ATOM 44 CB ILE A 11 0.424 -2.587 -8.476 1.00 33.05 C ATOM 45 CG1 ILE A 11 0.854 -1.264 -7.840 1.00 5.25 C ATOM 46 CG2 ILE A 11 -0.209 -2.345 -9.838 1.00 32.03 C ATOM 47 CD1 ILE A 11 2.111 -0.682 -8.448 1.00 4.04 C ATOM 0 H ILE A 11 0.763 -4.293 -6.241 1.00 35.22 H new ATOM 0 HA ILE A 11 -1.436 -2.703 -7.387 1.00 4.22 H new ATOM 0 HB ILE A 11 1.310 -3.207 -8.614 1.00 33.05 H new ATOM 0 HG12 ILE A 11 0.044 -0.542 -7.940 1.00 5.25 H new ATOM 0 HG13 ILE A 11 1.014 -1.418 -6.773 1.00 5.25 H new ATOM 0 HG21 ILE A 11 0.498 -1.819 -10.480 1.00 32.03 H new ATOM 0 HG22 ILE A 11 -0.470 -3.301 -10.293 1.00 32.03 H new ATOM 0 HG23 ILE A 11 -1.109 -1.742 -9.719 1.00 32.03 H new ATOM 0 HD11 ILE A 11 2.357 0.255 -7.948 1.00 4.04 H new ATOM 0 HD12 ILE A 11 2.934 -1.386 -8.325 1.00 4.04 H new ATOM 0 HD13 ILE A 11 1.949 -0.496 -9.510 1.00 4.04 H new ATOM 59 N LYS A 12 -2.095 -4.571 -8.959 1.00 22.31 N ATOM 60 CA LYS A 12 -2.612 -5.742 -9.658 1.00 1.14 C ATOM 61 C LYS A 12 -2.605 -5.522 -11.167 1.00 11.30 C ATOM 62 O LYS A 12 -3.245 -4.599 -11.672 1.00 13.23 O ATOM 63 CB LYS A 12 -4.032 -6.058 -9.184 1.00 55.10 C ATOM 64 CG LYS A 12 -4.201 -5.987 -7.676 1.00 63.31 C ATOM 65 CD LYS A 12 -4.933 -7.205 -7.139 1.00 74.32 C ATOM 66 CE LYS A 12 -6.338 -7.309 -7.713 1.00 52.40 C ATOM 67 NZ LYS A 12 -7.292 -7.908 -6.740 1.00 33.54 N ATOM 0 H LYS A 12 -2.651 -3.725 -9.085 1.00 22.31 H new ATOM 0 HA LYS A 12 -1.963 -6.587 -9.429 1.00 1.14 H new ATOM 0 HB2 LYS A 12 -4.726 -5.360 -9.652 1.00 55.10 H new ATOM 0 HB3 LYS A 12 -4.306 -7.056 -9.525 1.00 55.10 H new ATOM 0 HG2 LYS A 12 -3.222 -5.912 -7.202 1.00 63.31 H new ATOM 0 HG3 LYS A 12 -4.753 -5.085 -7.413 1.00 63.31 H new ATOM 0 HD2 LYS A 12 -4.371 -8.106 -7.384 1.00 74.32 H new ATOM 0 HD3 LYS A 12 -4.986 -7.149 -6.052 1.00 74.32 H new ATOM 0 HE2 LYS A 12 -6.687 -6.317 -8.000 1.00 52.40 H new ATOM 0 HE3 LYS A 12 -6.316 -7.914 -8.619 1.00 52.40 H new ATOM 0 HZ1 LYS A 12 -8.238 -7.961 -7.169 1.00 33.54 H new ATOM 0 HZ2 LYS A 12 -6.973 -8.864 -6.485 1.00 33.54 H new ATOM 0 HZ3 LYS A 12 -7.333 -7.317 -5.885 1.00 33.54 H new ATOM 81 N ILE A 13 -1.879 -6.375 -11.882 1.00 34.15 N ATOM 82 CA ILE A 13 -1.792 -6.274 -13.333 1.00 74.40 C ATOM 83 C ILE A 13 -2.612 -7.367 -14.010 1.00 75.30 C ATOM 84 O ILE A 13 -2.378 -8.557 -13.796 1.00 51.13 O ATOM 85 CB ILE A 13 -0.334 -6.368 -13.817 1.00 65.45 C ATOM 86 CG1 ILE A 13 0.562 -5.442 -12.992 1.00 54.31 C ATOM 87 CG2 ILE A 13 -0.243 -6.022 -15.296 1.00 71.22 C ATOM 88 CD1 ILE A 13 1.321 -6.154 -11.895 1.00 32.40 C ATOM 0 H ILE A 13 -1.343 -7.144 -11.480 1.00 34.15 H new ATOM 0 HA ILE A 13 -2.195 -5.299 -13.606 1.00 74.40 H new ATOM 0 HB ILE A 13 0.012 -7.393 -13.681 1.00 65.45 H new ATOM 0 HG12 ILE A 13 1.274 -4.952 -13.656 1.00 54.31 H new ATOM 0 HG13 ILE A 13 -0.051 -4.658 -12.548 1.00 54.31 H new ATOM 0 HG21 ILE A 13 0.794 -6.093 -15.623 1.00 71.22 H new ATOM 0 HG22 ILE A 13 -0.853 -6.719 -15.871 1.00 71.22 H new ATOM 0 HG23 ILE A 13 -0.605 -5.006 -15.455 1.00 71.22 H new ATOM 0 HD11 ILE A 13 1.935 -5.436 -11.352 1.00 32.40 H new ATOM 0 HD12 ILE A 13 0.615 -6.621 -11.208 1.00 32.40 H new ATOM 0 HD13 ILE A 13 1.961 -6.920 -12.333 1.00 32.40 H new ATOM 100 N VAL A 14 -3.575 -6.956 -14.830 1.00 2.24 N ATOM 101 CA VAL A 14 -4.428 -7.900 -15.541 1.00 54.52 C ATOM 102 C VAL A 14 -4.007 -8.029 -17.000 1.00 60.45 C ATOM 103 O VAL A 14 -4.185 -7.117 -17.808 1.00 11.14 O ATOM 104 CB VAL A 14 -5.907 -7.474 -15.481 1.00 55.13 C ATOM 105 CG1 VAL A 14 -6.468 -7.685 -14.083 1.00 60.12 C ATOM 106 CG2 VAL A 14 -6.062 -6.023 -15.913 1.00 21.40 C ATOM 0 H VAL A 14 -3.783 -5.975 -15.018 1.00 2.24 H new ATOM 0 HA VAL A 14 -4.315 -8.865 -15.046 1.00 54.52 H new ATOM 0 HB VAL A 14 -6.474 -8.098 -16.172 1.00 55.13 H new ATOM 0 HG11 VAL A 14 -7.514 -7.378 -14.060 1.00 60.12 H new ATOM 0 HG12 VAL A 14 -6.393 -8.739 -13.816 1.00 60.12 H new ATOM 0 HG13 VAL A 14 -5.900 -7.089 -13.369 1.00 60.12 H new ATOM 0 HG21 VAL A 14 -7.113 -5.739 -15.864 1.00 21.40 H new ATOM 0 HG22 VAL A 14 -5.482 -5.382 -15.249 1.00 21.40 H new ATOM 0 HG23 VAL A 14 -5.702 -5.907 -16.935 1.00 21.40 H new ATOM 116 N PRO A 15 -3.434 -9.191 -17.350 1.00 14.02 N ATOM 117 CA PRO A 15 -2.976 -9.469 -18.714 1.00 52.13 C ATOM 118 C PRO A 15 -4.134 -9.633 -19.693 1.00 14.15 C ATOM 119 O PRO A 15 -5.162 -10.223 -19.359 1.00 43.24 O ATOM 120 CB PRO A 15 -2.208 -10.785 -18.569 1.00 72.04 C ATOM 121 CG PRO A 15 -2.800 -11.439 -17.369 1.00 0.23 C ATOM 122 CD PRO A 15 -3.191 -10.323 -16.440 1.00 4.32 C ATOM 0 HA PRO A 15 -2.377 -8.652 -19.117 1.00 52.13 H new ATOM 0 HB2 PRO A 15 -2.321 -11.409 -19.456 1.00 72.04 H new ATOM 0 HB3 PRO A 15 -1.141 -10.608 -18.437 1.00 72.04 H new ATOM 0 HG2 PRO A 15 -3.666 -12.042 -17.641 1.00 0.23 H new ATOM 0 HG3 PRO A 15 -2.082 -12.108 -16.895 1.00 0.23 H new ATOM 0 HD2 PRO A 15 -4.082 -10.573 -15.863 1.00 4.32 H new ATOM 0 HD3 PRO A 15 -2.400 -10.100 -15.724 1.00 4.32 H new ATOM 130 N ALA A 16 -3.961 -9.108 -20.901 1.00 11.51 N ATOM 131 CA ALA A 16 -4.991 -9.198 -21.928 1.00 72.32 C ATOM 132 C ALA A 16 -4.769 -10.413 -22.823 1.00 43.10 C ATOM 133 O ALA A 16 -4.873 -10.323 -24.046 1.00 55.13 O ATOM 134 CB ALA A 16 -5.020 -7.925 -22.761 1.00 21.12 C ATOM 0 H ALA A 16 -3.117 -8.616 -21.193 1.00 11.51 H new ATOM 0 HA ALA A 16 -5.954 -9.316 -21.432 1.00 72.32 H new ATOM 0 HB1 ALA A 16 -5.794 -8.007 -23.524 1.00 21.12 H new ATOM 0 HB2 ALA A 16 -5.235 -7.073 -22.116 1.00 21.12 H new ATOM 0 HB3 ALA A 16 -4.052 -7.782 -23.241 1.00 21.12 H new ATOM 140 N VAL A 17 -4.460 -11.549 -22.205 1.00 52.22 N ATOM 141 CA VAL A 17 -4.223 -12.782 -22.946 1.00 50.11 C ATOM 142 C VAL A 17 -4.537 -14.005 -22.092 1.00 74.11 C ATOM 143 O VAL A 17 -4.390 -13.978 -20.871 1.00 44.51 O ATOM 144 CB VAL A 17 -2.765 -12.872 -23.435 1.00 11.43 C ATOM 145 CG1 VAL A 17 -2.537 -11.934 -24.610 1.00 52.33 C ATOM 146 CG2 VAL A 17 -1.803 -12.560 -22.299 1.00 3.53 C ATOM 0 H VAL A 17 -4.368 -11.641 -21.193 1.00 52.22 H new ATOM 0 HA VAL A 17 -4.888 -12.765 -23.810 1.00 50.11 H new ATOM 0 HB VAL A 17 -2.575 -13.891 -23.773 1.00 11.43 H new ATOM 0 HG11 VAL A 17 -1.502 -12.011 -24.942 1.00 52.33 H new ATOM 0 HG12 VAL A 17 -3.202 -12.208 -25.429 1.00 52.33 H new ATOM 0 HG13 VAL A 17 -2.744 -10.909 -24.303 1.00 52.33 H new ATOM 0 HG21 VAL A 17 -0.777 -12.628 -22.662 1.00 3.53 H new ATOM 0 HG22 VAL A 17 -1.991 -11.552 -21.929 1.00 3.53 H new ATOM 0 HG23 VAL A 17 -1.950 -13.276 -21.491 1.00 3.53 H new ATOM 156 N GLY A 18 -4.972 -15.079 -22.744 1.00 32.50 N ATOM 157 CA GLY A 18 -5.301 -16.299 -22.029 1.00 5.33 C ATOM 158 C GLY A 18 -6.248 -16.054 -20.871 1.00 24.34 C ATOM 159 O GLY A 18 -5.932 -16.369 -19.724 1.00 62.52 O ATOM 0 H GLY A 18 -5.103 -15.126 -23.755 1.00 32.50 H new ATOM 0 HA2 GLY A 18 -5.753 -17.011 -22.720 1.00 5.33 H new ATOM 0 HA3 GLY A 18 -4.385 -16.756 -21.655 1.00 5.33 H new ATOM 163 N GLY A 19 -7.413 -15.489 -21.170 1.00 52.23 N ATOM 164 CA GLY A 19 -8.391 -15.210 -20.134 1.00 65.14 C ATOM 165 C GLY A 19 -8.113 -13.907 -19.411 1.00 72.11 C ATOM 166 O GLY A 19 -8.983 -13.041 -19.322 1.00 23.42 O ATOM 0 H GLY A 19 -7.698 -15.219 -22.112 1.00 52.23 H new ATOM 0 HA2 GLY A 19 -9.385 -15.170 -20.578 1.00 65.14 H new ATOM 0 HA3 GLY A 19 -8.396 -16.028 -19.414 1.00 65.14 H new ATOM 170 N GLY A 20 -6.897 -13.767 -18.891 1.00 74.53 N ATOM 171 CA GLY A 20 -6.530 -12.559 -18.177 1.00 53.31 C ATOM 172 C GLY A 20 -6.696 -12.699 -16.677 1.00 12.41 C ATOM 173 O GLY A 20 -7.772 -12.439 -16.138 1.00 21.14 O ATOM 0 H GLY A 20 -6.160 -14.469 -18.952 1.00 74.53 H new ATOM 0 HA2 GLY A 20 -5.494 -12.308 -18.403 1.00 53.31 H new ATOM 0 HA3 GLY A 20 -7.143 -11.731 -18.532 1.00 53.31 H new ATOM 177 N SER A 21 -5.629 -13.112 -16.001 1.00 2.30 N ATOM 178 CA SER A 21 -5.663 -13.291 -14.554 1.00 64.23 C ATOM 179 C SER A 21 -4.843 -12.212 -13.854 1.00 23.13 C ATOM 180 O SER A 21 -3.672 -11.988 -14.162 1.00 0.32 O ATOM 181 CB SER A 21 -5.131 -14.676 -14.178 1.00 53.24 C ATOM 182 OG SER A 21 -5.741 -15.151 -12.991 1.00 1.24 O ATOM 0 H SER A 21 -4.730 -13.329 -16.432 1.00 2.30 H new ATOM 0 HA SER A 21 -6.699 -13.206 -14.226 1.00 64.23 H new ATOM 0 HB2 SER A 21 -5.320 -15.375 -14.993 1.00 53.24 H new ATOM 0 HB3 SER A 21 -4.051 -14.629 -14.042 1.00 53.24 H new ATOM 0 HG SER A 21 -5.386 -16.038 -12.773 1.00 1.24 H new ATOM 188 N PRO A 22 -5.471 -11.527 -12.887 1.00 54.43 N ATOM 189 CA PRO A 22 -4.820 -10.460 -12.122 1.00 0.43 C ATOM 190 C PRO A 22 -3.747 -10.994 -11.180 1.00 23.34 C ATOM 191 O PRO A 22 -3.984 -11.936 -10.422 1.00 72.22 O ATOM 192 CB PRO A 22 -5.971 -9.841 -11.325 1.00 33.34 C ATOM 193 CG PRO A 22 -6.977 -10.933 -11.204 1.00 35.24 C ATOM 194 CD PRO A 22 -6.866 -11.741 -12.467 1.00 54.32 C ATOM 0 HA PRO A 22 -4.303 -9.752 -12.770 1.00 0.43 H new ATOM 0 HB2 PRO A 22 -5.636 -9.501 -10.345 1.00 33.34 H new ATOM 0 HB3 PRO A 22 -6.387 -8.974 -11.838 1.00 33.34 H new ATOM 0 HG2 PRO A 22 -6.779 -11.550 -10.327 1.00 35.24 H new ATOM 0 HG3 PRO A 22 -7.982 -10.527 -11.088 1.00 35.24 H new ATOM 0 HD2 PRO A 22 -7.075 -12.796 -12.289 1.00 54.32 H new ATOM 0 HD3 PRO A 22 -7.571 -11.400 -13.225 1.00 54.32 H new ATOM 202 N LEU A 23 -2.566 -10.388 -11.231 1.00 21.02 N ATOM 203 CA LEU A 23 -1.455 -10.803 -10.381 1.00 32.11 C ATOM 204 C LEU A 23 -1.054 -9.685 -9.424 1.00 51.13 C ATOM 205 O LEU A 23 -0.750 -8.571 -9.850 1.00 14.02 O ATOM 206 CB LEU A 23 -0.256 -11.211 -11.238 1.00 61.04 C ATOM 207 CG LEU A 23 -0.544 -12.202 -12.367 1.00 25.13 C ATOM 208 CD1 LEU A 23 0.362 -11.932 -13.558 1.00 61.11 C ATOM 209 CD2 LEU A 23 -0.371 -13.633 -11.877 1.00 13.52 C ATOM 0 H LEU A 23 -2.353 -9.607 -11.852 1.00 21.02 H new ATOM 0 HA LEU A 23 -1.781 -11.660 -9.792 1.00 32.11 H new ATOM 0 HB2 LEU A 23 0.177 -10.311 -11.674 1.00 61.04 H new ATOM 0 HB3 LEU A 23 0.501 -11.645 -10.585 1.00 61.04 H new ATOM 0 HG LEU A 23 -1.578 -12.070 -12.686 1.00 25.13 H new ATOM 0 HD11 LEU A 23 0.143 -12.647 -14.351 1.00 61.11 H new ATOM 0 HD12 LEU A 23 0.190 -10.920 -13.924 1.00 61.11 H new ATOM 0 HD13 LEU A 23 1.404 -12.036 -13.254 1.00 61.11 H new ATOM 0 HD21 LEU A 23 -0.580 -14.325 -12.693 1.00 13.52 H new ATOM 0 HD22 LEU A 23 0.653 -13.778 -11.531 1.00 13.52 H new ATOM 0 HD23 LEU A 23 -1.062 -13.822 -11.055 1.00 13.52 H new ATOM 221 N GLU A 24 -1.054 -9.991 -8.131 1.00 24.43 N ATOM 222 CA GLU A 24 -0.688 -9.012 -7.114 1.00 40.34 C ATOM 223 C GLU A 24 0.804 -9.081 -6.803 1.00 63.43 C ATOM 224 O GLU A 24 1.342 -10.153 -6.523 1.00 63.40 O ATOM 225 CB GLU A 24 -1.498 -9.243 -5.837 1.00 2.22 C ATOM 226 CG GLU A 24 -2.066 -7.968 -5.238 1.00 15.53 C ATOM 227 CD GLU A 24 -3.020 -8.237 -4.090 1.00 2.03 C ATOM 228 OE1 GLU A 24 -3.231 -9.422 -3.759 1.00 31.31 O ATOM 229 OE2 GLU A 24 -3.554 -7.261 -3.522 1.00 34.41 O ATOM 0 H GLU A 24 -1.303 -10.909 -7.763 1.00 24.43 H new ATOM 0 HA GLU A 24 -0.914 -8.020 -7.504 1.00 40.34 H new ATOM 0 HB2 GLU A 24 -2.317 -9.928 -6.055 1.00 2.22 H new ATOM 0 HB3 GLU A 24 -0.863 -9.731 -5.097 1.00 2.22 H new ATOM 0 HG2 GLU A 24 -1.247 -7.340 -4.886 1.00 15.53 H new ATOM 0 HG3 GLU A 24 -2.586 -7.407 -6.014 1.00 15.53 H new ATOM 236 N LEU A 25 1.468 -7.932 -6.855 1.00 53.44 N ATOM 237 CA LEU A 25 2.898 -7.861 -6.580 1.00 5.31 C ATOM 238 C LEU A 25 3.246 -6.576 -5.834 1.00 64.32 C ATOM 239 O LEU A 25 2.484 -5.610 -5.855 1.00 24.45 O ATOM 240 CB LEU A 25 3.693 -7.938 -7.884 1.00 45.25 C ATOM 241 CG LEU A 25 4.636 -9.134 -8.027 1.00 13.34 C ATOM 242 CD1 LEU A 25 4.198 -10.024 -9.179 1.00 32.31 C ATOM 243 CD2 LEU A 25 6.069 -8.663 -8.229 1.00 15.32 C ATOM 0 H LEU A 25 1.038 -7.036 -7.085 1.00 53.44 H new ATOM 0 HA LEU A 25 3.164 -8.709 -5.949 1.00 5.31 H new ATOM 0 HB2 LEU A 25 2.988 -7.955 -8.715 1.00 45.25 H new ATOM 0 HB3 LEU A 25 4.280 -7.025 -7.983 1.00 45.25 H new ATOM 0 HG LEU A 25 4.593 -9.718 -7.107 1.00 13.34 H new ATOM 0 HD11 LEU A 25 4.881 -10.869 -9.265 1.00 32.31 H new ATOM 0 HD12 LEU A 25 3.188 -10.390 -8.992 1.00 32.31 H new ATOM 0 HD13 LEU A 25 4.210 -9.451 -10.106 1.00 32.31 H new ATOM 0 HD21 LEU A 25 6.725 -9.527 -8.329 1.00 15.32 H new ATOM 0 HD22 LEU A 25 6.129 -8.056 -9.132 1.00 15.32 H new ATOM 0 HD23 LEU A 25 6.381 -8.068 -7.371 1.00 15.32 H new ATOM 255 N GLU A 26 4.403 -6.573 -5.179 1.00 21.21 N ATOM 256 CA GLU A 26 4.852 -5.406 -4.428 1.00 72.53 C ATOM 257 C GLU A 26 5.870 -4.602 -5.231 1.00 2.21 C ATOM 258 O GLU A 26 7.011 -5.027 -5.411 1.00 63.21 O ATOM 259 CB GLU A 26 5.463 -5.836 -3.093 1.00 10.32 C ATOM 260 CG GLU A 26 6.545 -6.894 -3.231 1.00 11.35 C ATOM 261 CD GLU A 26 7.829 -6.511 -2.520 1.00 35.44 C ATOM 262 OE1 GLU A 26 8.335 -5.397 -2.766 1.00 53.10 O ATOM 263 OE2 GLU A 26 8.327 -7.328 -1.716 1.00 54.31 O ATOM 0 H GLU A 26 5.046 -7.365 -5.153 1.00 21.21 H new ATOM 0 HA GLU A 26 3.986 -4.773 -4.236 1.00 72.53 H new ATOM 0 HB2 GLU A 26 5.883 -4.961 -2.597 1.00 10.32 H new ATOM 0 HB3 GLU A 26 4.672 -6.219 -2.448 1.00 10.32 H new ATOM 0 HG2 GLU A 26 6.178 -7.838 -2.828 1.00 11.35 H new ATOM 0 HG3 GLU A 26 6.754 -7.059 -4.288 1.00 11.35 H new ATOM 270 N VAL A 27 5.449 -3.436 -5.711 1.00 74.34 N ATOM 271 CA VAL A 27 6.323 -2.571 -6.494 1.00 74.04 C ATOM 272 C VAL A 27 6.103 -1.104 -6.141 1.00 65.23 C ATOM 273 O VAL A 27 5.135 -0.756 -5.466 1.00 44.34 O ATOM 274 CB VAL A 27 6.095 -2.763 -8.006 1.00 25.44 C ATOM 275 CG1 VAL A 27 6.710 -4.073 -8.476 1.00 2.12 C ATOM 276 CG2 VAL A 27 4.610 -2.715 -8.331 1.00 43.12 C ATOM 0 H VAL A 27 4.508 -3.069 -5.571 1.00 74.34 H new ATOM 0 HA VAL A 27 7.348 -2.851 -6.250 1.00 74.04 H new ATOM 0 HB VAL A 27 6.586 -1.947 -8.537 1.00 25.44 H new ATOM 0 HG11 VAL A 27 6.539 -4.192 -9.546 1.00 2.12 H new ATOM 0 HG12 VAL A 27 7.782 -4.063 -8.278 1.00 2.12 H new ATOM 0 HG13 VAL A 27 6.250 -4.904 -7.941 1.00 2.12 H new ATOM 0 HG21 VAL A 27 4.468 -2.852 -9.403 1.00 43.12 H new ATOM 0 HG22 VAL A 27 4.094 -3.509 -7.792 1.00 43.12 H new ATOM 0 HG23 VAL A 27 4.203 -1.749 -8.032 1.00 43.12 H new ATOM 286 N ALA A 28 7.010 -0.248 -6.603 1.00 35.51 N ATOM 287 CA ALA A 28 6.914 1.182 -6.338 1.00 61.32 C ATOM 288 C ALA A 28 7.079 1.990 -7.621 1.00 31.31 C ATOM 289 O ALA A 28 8.140 2.000 -8.244 1.00 45.15 O ATOM 290 CB ALA A 28 7.957 1.599 -5.312 1.00 14.14 C ATOM 0 H ALA A 28 7.819 -0.520 -7.162 1.00 35.51 H new ATOM 0 HA ALA A 28 5.922 1.387 -5.936 1.00 61.32 H new ATOM 0 HB1 ALA A 28 7.874 2.669 -5.123 1.00 14.14 H new ATOM 0 HB2 ALA A 28 7.792 1.053 -4.383 1.00 14.14 H new ATOM 0 HB3 ALA A 28 8.953 1.374 -5.693 1.00 14.14 H new ATOM 296 N PRO A 29 6.005 2.683 -8.027 1.00 12.04 N ATOM 297 CA PRO A 29 6.006 3.507 -9.239 1.00 60.32 C ATOM 298 C PRO A 29 6.876 4.751 -9.094 1.00 61.42 C ATOM 299 O PRO A 29 7.182 5.424 -10.078 1.00 34.44 O ATOM 300 CB PRO A 29 4.535 3.899 -9.403 1.00 65.11 C ATOM 301 CG PRO A 29 3.969 3.828 -8.027 1.00 71.31 C ATOM 302 CD PRO A 29 4.707 2.717 -7.332 1.00 74.34 C ATOM 0 HA PRO A 29 6.417 2.972 -10.095 1.00 60.32 H new ATOM 0 HB2 PRO A 29 4.436 4.901 -9.820 1.00 65.11 H new ATOM 0 HB3 PRO A 29 4.017 3.219 -10.080 1.00 65.11 H new ATOM 0 HG2 PRO A 29 4.102 4.773 -7.501 1.00 71.31 H new ATOM 0 HG3 PRO A 29 2.898 3.627 -8.055 1.00 71.31 H new ATOM 0 HD2 PRO A 29 4.826 2.918 -6.267 1.00 74.34 H new ATOM 0 HD3 PRO A 29 4.179 1.767 -7.420 1.00 74.34 H new ATOM 310 N ASN A 30 7.272 5.050 -7.861 1.00 62.43 N ATOM 311 CA ASN A 30 8.108 6.213 -7.588 1.00 54.41 C ATOM 312 C ASN A 30 9.585 5.873 -7.755 1.00 45.41 C ATOM 313 O ASN A 30 10.459 6.671 -7.416 1.00 14.51 O ATOM 314 CB ASN A 30 7.849 6.732 -6.172 1.00 31.31 C ATOM 315 CG ASN A 30 8.417 5.813 -5.107 1.00 75.03 C ATOM 316 OD1 ASN A 30 7.575 4.935 -4.574 1.00 5.13 O flip ATOM 317 ND2 ASN A 30 9.597 5.892 -4.769 1.00 62.42 N flip ATOM 0 H ASN A 30 7.027 4.503 -7.035 1.00 62.43 H new ATOM 0 HA ASN A 30 7.850 6.991 -8.306 1.00 54.41 H new ATOM 0 HB2 ASN A 30 8.289 7.723 -6.065 1.00 31.31 H new ATOM 0 HB3 ASN A 30 6.775 6.842 -6.019 1.00 31.31 H new ATOM 0 HD21 ASN A 30 10.208 6.582 -5.206 1.00 62.42 H new ATOM 0 HD22 ASN A 30 9.965 5.267 -4.052 1.00 62.42 H new ATOM 324 N ALA A 31 9.858 4.683 -8.281 1.00 15.44 N ATOM 325 CA ALA A 31 11.229 4.239 -8.495 1.00 71.44 C ATOM 326 C ALA A 31 11.582 4.245 -9.979 1.00 3.42 C ATOM 327 O ALA A 31 12.260 5.153 -10.463 1.00 13.03 O ATOM 328 CB ALA A 31 11.431 2.849 -7.909 1.00 41.31 C ATOM 0 H ALA A 31 9.147 4.010 -8.567 1.00 15.44 H new ATOM 0 HA ALA A 31 11.895 4.936 -7.986 1.00 71.44 H new ATOM 0 HB1 ALA A 31 12.460 2.530 -8.076 1.00 41.31 H new ATOM 0 HB2 ALA A 31 11.228 2.872 -6.838 1.00 41.31 H new ATOM 0 HB3 ALA A 31 10.751 2.148 -8.392 1.00 41.31 H new ATOM 334 N THR A 32 11.120 3.227 -10.697 1.00 60.14 N ATOM 335 CA THR A 32 11.389 3.115 -12.125 1.00 71.33 C ATOM 336 C THR A 32 10.346 2.242 -12.814 1.00 51.23 C ATOM 337 O THR A 32 9.879 1.252 -12.250 1.00 45.25 O ATOM 338 CB THR A 32 12.788 2.527 -12.389 1.00 42.20 C ATOM 339 OG1 THR A 32 13.412 2.172 -11.150 1.00 1.51 O ATOM 340 CG2 THR A 32 13.662 3.524 -13.135 1.00 52.23 C ATOM 0 H THR A 32 10.557 2.468 -10.313 1.00 60.14 H new ATOM 0 HA THR A 32 11.343 4.124 -12.535 1.00 71.33 H new ATOM 0 HB THR A 32 12.673 1.636 -13.006 1.00 42.20 H new ATOM 0 HG1 THR A 32 14.300 1.798 -11.327 1.00 1.51 H new ATOM 0 HG21 THR A 32 14.645 3.087 -13.310 1.00 52.23 H new ATOM 0 HG22 THR A 32 13.199 3.770 -14.091 1.00 52.23 H new ATOM 0 HG23 THR A 32 13.769 4.431 -12.540 1.00 52.23 H new ATOM 348 N VAL A 33 9.984 2.615 -14.038 1.00 12.33 N ATOM 349 CA VAL A 33 8.997 1.865 -14.805 1.00 14.21 C ATOM 350 C VAL A 33 9.542 0.504 -15.221 1.00 24.24 C ATOM 351 O VAL A 33 8.857 -0.512 -15.109 1.00 4.15 O ATOM 352 CB VAL A 33 8.560 2.637 -16.064 1.00 54.21 C ATOM 353 CG1 VAL A 33 7.579 1.812 -16.883 1.00 13.00 C ATOM 354 CG2 VAL A 33 7.952 3.978 -15.682 1.00 40.42 C ATOM 0 H VAL A 33 10.360 3.432 -14.519 1.00 12.33 H new ATOM 0 HA VAL A 33 8.133 1.724 -14.156 1.00 14.21 H new ATOM 0 HB VAL A 33 9.441 2.825 -16.678 1.00 54.21 H new ATOM 0 HG11 VAL A 33 7.282 2.374 -17.768 1.00 13.00 H new ATOM 0 HG12 VAL A 33 8.054 0.879 -17.188 1.00 13.00 H new ATOM 0 HG13 VAL A 33 6.698 1.591 -16.281 1.00 13.00 H new ATOM 0 HG21 VAL A 33 7.649 4.510 -16.584 1.00 40.42 H new ATOM 0 HG22 VAL A 33 7.081 3.815 -15.047 1.00 40.42 H new ATOM 0 HG23 VAL A 33 8.690 4.571 -15.141 1.00 40.42 H new ATOM 364 N GLY A 34 10.782 0.491 -15.701 1.00 61.24 N ATOM 365 CA GLY A 34 11.400 -0.752 -16.127 1.00 11.45 C ATOM 366 C GLY A 34 11.707 -1.674 -14.964 1.00 5.24 C ATOM 367 O GLY A 34 11.653 -2.896 -15.100 1.00 41.44 O ATOM 0 H GLY A 34 11.370 1.319 -15.803 1.00 61.24 H new ATOM 0 HA2 GLY A 34 10.738 -1.262 -16.827 1.00 11.45 H new ATOM 0 HA3 GLY A 34 12.322 -0.530 -16.664 1.00 11.45 H new ATOM 371 N ALA A 35 12.033 -1.088 -13.816 1.00 23.00 N ATOM 372 CA ALA A 35 12.351 -1.865 -12.625 1.00 34.45 C ATOM 373 C ALA A 35 11.130 -2.633 -12.129 1.00 30.41 C ATOM 374 O ALA A 35 11.213 -3.825 -11.830 1.00 12.33 O ATOM 375 CB ALA A 35 12.886 -0.956 -11.528 1.00 75.21 C ATOM 0 H ALA A 35 12.084 -0.078 -13.686 1.00 23.00 H new ATOM 0 HA ALA A 35 13.122 -2.589 -12.889 1.00 34.45 H new ATOM 0 HB1 ALA A 35 13.119 -1.550 -10.645 1.00 75.21 H new ATOM 0 HB2 ALA A 35 13.789 -0.456 -11.878 1.00 75.21 H new ATOM 0 HB3 ALA A 35 12.133 -0.209 -11.275 1.00 75.21 H new ATOM 381 N VAL A 36 9.997 -1.943 -12.044 1.00 31.54 N ATOM 382 CA VAL A 36 8.759 -2.561 -11.584 1.00 54.03 C ATOM 383 C VAL A 36 8.237 -3.569 -12.602 1.00 71.10 C ATOM 384 O VAL A 36 7.741 -4.635 -12.237 1.00 32.01 O ATOM 385 CB VAL A 36 7.669 -1.505 -11.320 1.00 2.34 C ATOM 386 CG1 VAL A 36 8.069 -0.604 -10.161 1.00 41.11 C ATOM 387 CG2 VAL A 36 7.404 -0.687 -12.575 1.00 23.13 C ATOM 0 H VAL A 36 9.911 -0.956 -12.288 1.00 31.54 H new ATOM 0 HA VAL A 36 8.990 -3.076 -10.651 1.00 54.03 H new ATOM 0 HB VAL A 36 6.747 -2.019 -11.048 1.00 2.34 H new ATOM 0 HG11 VAL A 36 7.287 0.136 -9.989 1.00 41.11 H new ATOM 0 HG12 VAL A 36 8.204 -1.206 -9.262 1.00 41.11 H new ATOM 0 HG13 VAL A 36 9.003 -0.096 -10.401 1.00 41.11 H new ATOM 0 HG21 VAL A 36 6.631 0.054 -12.370 1.00 23.13 H new ATOM 0 HG22 VAL A 36 8.320 -0.181 -12.880 1.00 23.13 H new ATOM 0 HG23 VAL A 36 7.070 -1.347 -13.376 1.00 23.13 H new ATOM 397 N ARG A 37 8.353 -3.225 -13.880 1.00 71.15 N ATOM 398 CA ARG A 37 7.892 -4.100 -14.952 1.00 2.01 C ATOM 399 C ARG A 37 8.692 -5.399 -14.975 1.00 31.34 C ATOM 400 O ARG A 37 8.134 -6.482 -15.160 1.00 4.31 O ATOM 401 CB ARG A 37 8.010 -3.392 -16.303 1.00 60.41 C ATOM 402 CG ARG A 37 7.373 -4.160 -17.450 1.00 41.11 C ATOM 403 CD ARG A 37 7.704 -3.530 -18.794 1.00 3.11 C ATOM 404 NE ARG A 37 9.126 -3.636 -19.113 1.00 14.04 N ATOM 405 CZ ARG A 37 9.689 -4.735 -19.602 1.00 51.23 C ATOM 406 NH1 ARG A 37 8.955 -5.816 -19.829 1.00 10.45 N ATOM 407 NH2 ARG A 37 10.989 -4.754 -19.867 1.00 50.11 N ATOM 0 H ARG A 37 8.762 -2.347 -14.199 1.00 71.15 H new ATOM 0 HA ARG A 37 6.845 -4.341 -14.766 1.00 2.01 H new ATOM 0 HB2 ARG A 37 7.543 -2.410 -16.231 1.00 60.41 H new ATOM 0 HB3 ARG A 37 9.064 -3.228 -16.527 1.00 60.41 H new ATOM 0 HG2 ARG A 37 7.721 -5.193 -17.435 1.00 41.11 H new ATOM 0 HG3 ARG A 37 6.292 -4.186 -17.316 1.00 41.11 H new ATOM 0 HD2 ARG A 37 7.120 -4.016 -19.576 1.00 3.11 H new ATOM 0 HD3 ARG A 37 7.412 -2.480 -18.784 1.00 3.11 H new ATOM 0 HE ARG A 37 9.719 -2.822 -18.951 1.00 14.04 H new ATOM 0 HH11 ARG A 37 7.955 -5.805 -19.628 1.00 10.45 H new ATOM 0 HH12 ARG A 37 9.390 -6.658 -20.205 1.00 10.45 H new ATOM 0 HH21 ARG A 37 11.557 -3.924 -19.695 1.00 50.11 H new ATOM 0 HH22 ARG A 37 11.421 -5.598 -20.243 1.00 50.11 H new ATOM 421 N THR A 38 10.003 -5.285 -14.785 1.00 51.13 N ATOM 422 CA THR A 38 10.880 -6.449 -14.786 1.00 13.04 C ATOM 423 C THR A 38 10.670 -7.296 -13.536 1.00 15.03 C ATOM 424 O THR A 38 10.709 -8.525 -13.592 1.00 21.20 O ATOM 425 CB THR A 38 12.361 -6.036 -14.869 1.00 63.32 C ATOM 426 OG1 THR A 38 12.564 -5.163 -15.986 1.00 24.03 O ATOM 427 CG2 THR A 38 13.257 -7.259 -15.006 1.00 14.45 C ATOM 0 H THR A 38 10.481 -4.398 -14.628 1.00 51.13 H new ATOM 0 HA THR A 38 10.624 -7.037 -15.668 1.00 13.04 H new ATOM 0 HB THR A 38 12.622 -5.515 -13.948 1.00 63.32 H new ATOM 0 HG1 THR A 38 12.234 -4.267 -15.765 1.00 24.03 H new ATOM 0 HG21 THR A 38 14.298 -6.942 -15.063 1.00 14.45 H new ATOM 0 HG22 THR A 38 13.122 -7.908 -14.141 1.00 14.45 H new ATOM 0 HG23 THR A 38 12.993 -7.804 -15.913 1.00 14.45 H new ATOM 435 N LYS A 39 10.445 -6.631 -12.407 1.00 62.42 N ATOM 436 CA LYS A 39 10.226 -7.323 -11.142 1.00 44.42 C ATOM 437 C LYS A 39 8.957 -8.167 -11.196 1.00 63.21 C ATOM 438 O LYS A 39 8.951 -9.323 -10.773 1.00 35.30 O ATOM 439 CB LYS A 39 10.132 -6.313 -9.996 1.00 32.43 C ATOM 440 CG LYS A 39 10.271 -6.941 -8.620 1.00 33.43 C ATOM 441 CD LYS A 39 11.680 -6.784 -8.074 1.00 43.35 C ATOM 442 CE LYS A 39 12.550 -7.983 -8.422 1.00 15.43 C ATOM 443 NZ LYS A 39 12.798 -8.849 -7.236 1.00 61.34 N ATOM 0 H LYS A 39 10.410 -5.614 -12.343 1.00 62.42 H new ATOM 0 HA LYS A 39 11.074 -7.985 -10.966 1.00 44.42 H new ATOM 0 HB2 LYS A 39 10.909 -5.559 -10.122 1.00 32.43 H new ATOM 0 HB3 LYS A 39 9.174 -5.796 -10.056 1.00 32.43 H new ATOM 0 HG2 LYS A 39 9.561 -6.478 -7.935 1.00 33.43 H new ATOM 0 HG3 LYS A 39 10.017 -8.000 -8.675 1.00 33.43 H new ATOM 0 HD2 LYS A 39 12.129 -5.877 -8.479 1.00 43.35 H new ATOM 0 HD3 LYS A 39 11.640 -6.664 -6.991 1.00 43.35 H new ATOM 0 HE2 LYS A 39 12.067 -8.568 -9.205 1.00 15.43 H new ATOM 0 HE3 LYS A 39 13.502 -7.637 -8.825 1.00 15.43 H new ATOM 0 HZ1 LYS A 39 13.394 -9.655 -7.513 1.00 61.34 H new ATOM 0 HZ2 LYS A 39 13.282 -8.298 -6.499 1.00 61.34 H new ATOM 0 HZ3 LYS A 39 11.891 -9.200 -6.867 1.00 61.34 H new ATOM 457 N VAL A 40 7.885 -7.583 -11.720 1.00 53.34 N ATOM 458 CA VAL A 40 6.610 -8.283 -11.832 1.00 45.41 C ATOM 459 C VAL A 40 6.685 -9.399 -12.868 1.00 4.31 C ATOM 460 O VAL A 40 6.251 -10.523 -12.616 1.00 73.22 O ATOM 461 CB VAL A 40 5.472 -7.318 -12.214 1.00 70.11 C ATOM 462 CG1 VAL A 40 4.159 -8.073 -12.361 1.00 4.42 C ATOM 463 CG2 VAL A 40 5.346 -6.208 -11.182 1.00 12.02 C ATOM 0 H VAL A 40 7.873 -6.626 -12.074 1.00 53.34 H new ATOM 0 HA VAL A 40 6.398 -8.714 -10.853 1.00 45.41 H new ATOM 0 HB VAL A 40 5.712 -6.863 -13.175 1.00 70.11 H new ATOM 0 HG11 VAL A 40 3.366 -7.375 -12.631 1.00 4.42 H new ATOM 0 HG12 VAL A 40 4.259 -8.828 -13.141 1.00 4.42 H new ATOM 0 HG13 VAL A 40 3.910 -8.557 -11.417 1.00 4.42 H new ATOM 0 HG21 VAL A 40 4.537 -5.536 -11.468 1.00 12.02 H new ATOM 0 HG22 VAL A 40 5.129 -6.642 -10.206 1.00 12.02 H new ATOM 0 HG23 VAL A 40 6.281 -5.650 -11.132 1.00 12.02 H new ATOM 473 N CYS A 41 7.240 -9.081 -14.033 1.00 15.15 N ATOM 474 CA CYS A 41 7.372 -10.057 -15.108 1.00 74.31 C ATOM 475 C CYS A 41 8.140 -11.287 -14.635 1.00 1.20 C ATOM 476 O CYS A 41 7.736 -12.420 -14.892 1.00 21.40 O ATOM 477 CB CYS A 41 8.079 -9.430 -16.310 1.00 60.13 C ATOM 478 SG CYS A 41 7.812 -10.312 -17.866 1.00 44.42 S ATOM 0 H CYS A 41 7.605 -8.155 -14.256 1.00 15.15 H new ATOM 0 HA CYS A 41 6.371 -10.369 -15.407 1.00 74.31 H new ATOM 0 HB2 CYS A 41 7.736 -8.402 -16.424 1.00 60.13 H new ATOM 0 HB3 CYS A 41 9.149 -9.388 -16.107 1.00 60.13 H new ATOM 0 HG CYS A 41 8.656 -11.297 -17.957 1.00 44.42 H new ATOM 484 N ALA A 42 9.251 -11.054 -13.944 1.00 30.04 N ATOM 485 CA ALA A 42 10.076 -12.142 -13.434 1.00 60.43 C ATOM 486 C ALA A 42 9.308 -12.986 -12.423 1.00 21.43 C ATOM 487 O ALA A 42 9.395 -14.214 -12.431 1.00 45.21 O ATOM 488 CB ALA A 42 11.348 -11.591 -12.807 1.00 62.55 C ATOM 0 H ALA A 42 9.600 -10.121 -13.725 1.00 30.04 H new ATOM 0 HA ALA A 42 10.346 -12.784 -14.273 1.00 60.43 H new ATOM 0 HB1 ALA A 42 11.954 -12.415 -12.430 1.00 62.55 H new ATOM 0 HB2 ALA A 42 11.913 -11.038 -13.557 1.00 62.55 H new ATOM 0 HB3 ALA A 42 11.089 -10.925 -11.984 1.00 62.55 H new ATOM 494 N MET A 43 8.557 -12.320 -11.552 1.00 72.12 N ATOM 495 CA MET A 43 7.773 -13.010 -10.534 1.00 62.32 C ATOM 496 C MET A 43 6.774 -13.969 -11.174 1.00 41.15 C ATOM 497 O MET A 43 6.414 -14.990 -10.588 1.00 11.31 O ATOM 498 CB MET A 43 7.035 -11.999 -9.655 1.00 45.30 C ATOM 499 CG MET A 43 7.048 -12.355 -8.177 1.00 40.23 C ATOM 500 SD MET A 43 5.962 -13.740 -7.787 1.00 71.25 S ATOM 501 CE MET A 43 5.879 -13.613 -6.003 1.00 34.42 C ATOM 0 H MET A 43 8.475 -11.304 -11.531 1.00 72.12 H new ATOM 0 HA MET A 43 8.458 -13.588 -9.914 1.00 62.32 H new ATOM 0 HB2 MET A 43 7.487 -11.016 -9.788 1.00 45.30 H new ATOM 0 HB3 MET A 43 6.002 -11.922 -9.993 1.00 45.30 H new ATOM 0 HG2 MET A 43 8.066 -12.601 -7.875 1.00 40.23 H new ATOM 0 HG3 MET A 43 6.744 -11.485 -7.595 1.00 40.23 H new ATOM 0 HE1 MET A 43 5.241 -14.405 -5.611 1.00 34.42 H new ATOM 0 HE2 MET A 43 6.880 -13.713 -5.584 1.00 34.42 H new ATOM 0 HE3 MET A 43 5.465 -12.643 -5.726 1.00 34.42 H new ATOM 511 N LYS A 44 6.329 -13.634 -12.381 1.00 3.01 N ATOM 512 CA LYS A 44 5.372 -14.465 -13.102 1.00 5.10 C ATOM 513 C LYS A 44 6.079 -15.337 -14.135 1.00 21.23 C ATOM 514 O LYS A 44 5.470 -16.223 -14.736 1.00 4.24 O ATOM 515 CB LYS A 44 4.323 -13.590 -13.791 1.00 11.44 C ATOM 516 CG LYS A 44 3.727 -12.527 -12.883 1.00 71.23 C ATOM 517 CD LYS A 44 2.789 -13.135 -11.854 1.00 22.22 C ATOM 518 CE LYS A 44 3.545 -13.605 -10.620 1.00 60.24 C ATOM 519 NZ LYS A 44 2.801 -13.306 -9.366 1.00 15.40 N ATOM 0 H LYS A 44 6.616 -12.792 -12.880 1.00 3.01 H new ATOM 0 HA LYS A 44 4.877 -15.115 -12.380 1.00 5.10 H new ATOM 0 HB2 LYS A 44 4.777 -13.105 -14.655 1.00 11.44 H new ATOM 0 HB3 LYS A 44 3.522 -14.226 -14.167 1.00 11.44 H new ATOM 0 HG2 LYS A 44 4.528 -11.991 -12.374 1.00 71.23 H new ATOM 0 HG3 LYS A 44 3.185 -11.796 -13.484 1.00 71.23 H new ATOM 0 HD2 LYS A 44 2.039 -12.399 -11.564 1.00 22.22 H new ATOM 0 HD3 LYS A 44 2.256 -13.976 -12.298 1.00 22.22 H new ATOM 0 HE2 LYS A 44 3.722 -14.678 -10.690 1.00 60.24 H new ATOM 0 HE3 LYS A 44 4.522 -13.122 -10.587 1.00 60.24 H new ATOM 0 HZ1 LYS A 44 3.452 -13.353 -8.556 1.00 15.40 H new ATOM 0 HZ2 LYS A 44 2.390 -12.352 -9.425 1.00 15.40 H new ATOM 0 HZ3 LYS A 44 2.040 -14.004 -9.239 1.00 15.40 H new ATOM 533 N LYS A 45 7.368 -15.082 -14.335 1.00 74.35 N ATOM 534 CA LYS A 45 8.159 -15.846 -15.293 1.00 52.43 C ATOM 535 C LYS A 45 7.633 -15.650 -16.712 1.00 31.23 C ATOM 536 O LYS A 45 7.300 -16.616 -17.400 1.00 32.12 O ATOM 537 CB LYS A 45 8.140 -17.332 -14.931 1.00 63.43 C ATOM 538 CG LYS A 45 9.388 -18.080 -15.368 1.00 21.30 C ATOM 539 CD LYS A 45 10.624 -17.573 -14.645 1.00 2.33 C ATOM 540 CE LYS A 45 11.693 -17.111 -15.624 1.00 32.32 C ATOM 541 NZ LYS A 45 13.060 -17.213 -15.041 1.00 54.45 N ATOM 0 H LYS A 45 7.887 -14.352 -13.847 1.00 74.35 H new ATOM 0 HA LYS A 45 9.185 -15.482 -15.251 1.00 52.43 H new ATOM 0 HB2 LYS A 45 8.025 -17.433 -13.852 1.00 63.43 H new ATOM 0 HB3 LYS A 45 7.268 -17.798 -15.390 1.00 63.43 H new ATOM 0 HG2 LYS A 45 9.262 -19.145 -15.172 1.00 21.30 H new ATOM 0 HG3 LYS A 45 9.523 -17.967 -16.444 1.00 21.30 H new ATOM 0 HD2 LYS A 45 10.350 -16.747 -13.988 1.00 2.33 H new ATOM 0 HD3 LYS A 45 11.026 -18.364 -14.012 1.00 2.33 H new ATOM 0 HE2 LYS A 45 11.639 -17.713 -16.531 1.00 32.32 H new ATOM 0 HE3 LYS A 45 11.498 -16.079 -15.914 1.00 32.32 H new ATOM 0 HZ1 LYS A 45 13.760 -16.889 -15.739 1.00 54.45 H new ATOM 0 HZ2 LYS A 45 13.119 -16.619 -14.189 1.00 54.45 H new ATOM 0 HZ3 LYS A 45 13.256 -18.202 -14.787 1.00 54.45 H new ATOM 555 N LEU A 46 7.562 -14.396 -17.144 1.00 32.12 N ATOM 556 CA LEU A 46 7.078 -14.074 -18.482 1.00 32.22 C ATOM 557 C LEU A 46 8.181 -13.438 -19.321 1.00 52.35 C ATOM 558 O LEU A 46 9.171 -12.923 -18.802 1.00 64.02 O ATOM 559 CB LEU A 46 5.877 -13.131 -18.398 1.00 15.13 C ATOM 560 CG LEU A 46 4.514 -13.795 -18.198 1.00 30.43 C ATOM 561 CD1 LEU A 46 3.701 -13.043 -17.156 1.00 12.21 C ATOM 562 CD2 LEU A 46 3.758 -13.869 -19.516 1.00 53.11 C ATOM 0 H LEU A 46 7.833 -13.585 -16.587 1.00 32.12 H new ATOM 0 HA LEU A 46 6.770 -15.002 -18.964 1.00 32.22 H new ATOM 0 HB2 LEU A 46 6.044 -12.435 -17.576 1.00 15.13 H new ATOM 0 HB3 LEU A 46 5.840 -12.540 -19.313 1.00 15.13 H new ATOM 0 HG LEU A 46 4.676 -14.811 -17.838 1.00 30.43 H new ATOM 0 HD11 LEU A 46 2.735 -13.530 -17.027 1.00 12.21 H new ATOM 0 HD12 LEU A 46 4.237 -13.043 -16.207 1.00 12.21 H new ATOM 0 HD13 LEU A 46 3.548 -12.015 -17.486 1.00 12.21 H new ATOM 0 HD21 LEU A 46 2.791 -14.344 -19.354 1.00 53.11 H new ATOM 0 HD22 LEU A 46 3.607 -12.862 -19.906 1.00 53.11 H new ATOM 0 HD23 LEU A 46 4.334 -14.453 -20.234 1.00 53.11 H new ATOM 574 N PRO A 47 8.006 -13.471 -20.651 1.00 4.40 N ATOM 575 CA PRO A 47 8.975 -12.899 -21.591 1.00 3.12 C ATOM 576 C PRO A 47 9.008 -11.375 -21.534 1.00 63.53 C ATOM 577 O PRO A 47 8.053 -10.695 -21.911 1.00 24.53 O ATOM 578 CB PRO A 47 8.468 -13.373 -22.955 1.00 51.51 C ATOM 579 CG PRO A 47 7.009 -13.599 -22.759 1.00 14.11 C ATOM 580 CD PRO A 47 6.850 -14.068 -21.339 1.00 55.21 C ATOM 0 HA PRO A 47 9.994 -13.213 -21.367 1.00 3.12 H new ATOM 0 HB2 PRO A 47 8.653 -12.626 -23.727 1.00 51.51 H new ATOM 0 HB3 PRO A 47 8.972 -14.287 -23.269 1.00 51.51 H new ATOM 0 HG2 PRO A 47 6.445 -12.682 -22.933 1.00 14.11 H new ATOM 0 HG3 PRO A 47 6.632 -14.343 -23.460 1.00 14.11 H new ATOM 0 HD2 PRO A 47 5.908 -13.731 -20.908 1.00 55.21 H new ATOM 0 HD3 PRO A 47 6.860 -15.156 -21.272 1.00 55.21 H new ATOM 588 N PRO A 48 10.133 -10.825 -21.054 1.00 12.44 N ATOM 589 CA PRO A 48 10.317 -9.375 -20.938 1.00 2.14 C ATOM 590 C PRO A 48 10.450 -8.697 -22.297 1.00 52.10 C ATOM 591 O PRO A 48 10.141 -7.514 -22.444 1.00 73.32 O ATOM 592 CB PRO A 48 11.621 -9.245 -20.146 1.00 70.41 C ATOM 593 CG PRO A 48 12.360 -10.509 -20.423 1.00 74.14 C ATOM 594 CD PRO A 48 11.311 -11.574 -20.587 1.00 30.43 C ATOM 0 HA PRO A 48 9.463 -8.893 -20.462 1.00 2.14 H new ATOM 0 HB2 PRO A 48 12.193 -8.374 -20.465 1.00 70.41 H new ATOM 0 HB3 PRO A 48 11.427 -9.125 -19.080 1.00 70.41 H new ATOM 0 HG2 PRO A 48 12.967 -10.417 -21.324 1.00 74.14 H new ATOM 0 HG3 PRO A 48 13.038 -10.752 -19.605 1.00 74.14 H new ATOM 0 HD2 PRO A 48 11.617 -12.332 -21.308 1.00 30.43 H new ATOM 0 HD3 PRO A 48 11.112 -12.090 -19.648 1.00 30.43 H new ATOM 602 N ASP A 49 10.910 -9.453 -23.287 1.00 43.25 N ATOM 603 CA ASP A 49 11.082 -8.925 -24.636 1.00 2.20 C ATOM 604 C ASP A 49 9.771 -8.982 -25.413 1.00 72.12 C ATOM 605 O ASP A 49 9.574 -8.241 -26.377 1.00 3.00 O ATOM 606 CB ASP A 49 12.165 -9.709 -25.379 1.00 53.25 C ATOM 607 CG ASP A 49 12.269 -9.311 -26.839 1.00 12.24 C ATOM 608 OD1 ASP A 49 12.901 -8.273 -27.127 1.00 53.23 O ATOM 609 OD2 ASP A 49 11.719 -10.038 -27.692 1.00 41.21 O ATOM 0 H ASP A 49 11.171 -10.433 -23.181 1.00 43.25 H new ATOM 0 HA ASP A 49 11.390 -7.883 -24.555 1.00 2.20 H new ATOM 0 HB2 ASP A 49 13.126 -9.546 -24.892 1.00 53.25 H new ATOM 0 HB3 ASP A 49 11.949 -10.775 -25.310 1.00 53.25 H new ATOM 614 N THR A 50 8.875 -9.868 -24.989 1.00 22.14 N ATOM 615 CA THR A 50 7.584 -10.024 -25.645 1.00 74.24 C ATOM 616 C THR A 50 6.443 -9.613 -24.721 1.00 44.42 C ATOM 617 O THR A 50 5.367 -10.210 -24.741 1.00 73.22 O ATOM 618 CB THR A 50 7.358 -11.477 -26.104 1.00 65.31 C ATOM 619 OG1 THR A 50 8.617 -12.112 -26.356 1.00 61.01 O ATOM 620 CG2 THR A 50 6.502 -11.522 -27.360 1.00 52.34 C ATOM 0 H THR A 50 9.021 -10.489 -24.193 1.00 22.14 H new ATOM 0 HA THR A 50 7.594 -9.372 -26.518 1.00 74.24 H new ATOM 0 HB THR A 50 6.835 -12.008 -25.309 1.00 65.31 H new ATOM 0 HG1 THR A 50 8.465 -13.036 -26.646 1.00 61.01 H new ATOM 0 HG21 THR A 50 6.357 -12.559 -27.664 1.00 52.34 H new ATOM 0 HG22 THR A 50 5.534 -11.064 -27.157 1.00 52.34 H new ATOM 0 HG23 THR A 50 7.001 -10.976 -28.160 1.00 52.34 H new ATOM 628 N THR A 51 6.685 -8.587 -23.911 1.00 4.13 N ATOM 629 CA THR A 51 5.679 -8.095 -22.978 1.00 71.52 C ATOM 630 C THR A 51 5.723 -6.575 -22.872 1.00 61.42 C ATOM 631 O THR A 51 6.791 -5.969 -22.955 1.00 42.22 O ATOM 632 CB THR A 51 5.869 -8.702 -21.575 1.00 71.33 C ATOM 633 OG1 THR A 51 4.722 -8.427 -20.763 1.00 71.52 O ATOM 634 CG2 THR A 51 7.115 -8.142 -20.907 1.00 45.25 C ATOM 0 H THR A 51 7.570 -8.080 -23.882 1.00 4.13 H new ATOM 0 HA THR A 51 4.709 -8.401 -23.370 1.00 71.52 H new ATOM 0 HB THR A 51 5.988 -9.780 -21.683 1.00 71.33 H new ATOM 0 HG1 THR A 51 4.850 -8.818 -19.873 1.00 71.52 H new ATOM 0 HG21 THR A 51 7.228 -8.585 -19.918 1.00 45.25 H new ATOM 0 HG22 THR A 51 7.990 -8.378 -21.513 1.00 45.25 H new ATOM 0 HG23 THR A 51 7.021 -7.060 -20.811 1.00 45.25 H new ATOM 642 N ARG A 52 4.557 -5.966 -22.688 1.00 12.41 N ATOM 643 CA ARG A 52 4.463 -4.515 -22.571 1.00 31.41 C ATOM 644 C ARG A 52 3.539 -4.121 -21.423 1.00 34.24 C ATOM 645 O ARG A 52 2.663 -4.891 -21.024 1.00 2.41 O ATOM 646 CB ARG A 52 3.955 -3.909 -23.880 1.00 53.31 C ATOM 647 CG ARG A 52 5.062 -3.567 -24.863 1.00 63.24 C ATOM 648 CD ARG A 52 5.104 -4.554 -26.020 1.00 41.40 C ATOM 649 NE ARG A 52 6.247 -4.319 -26.898 1.00 71.15 N ATOM 650 CZ ARG A 52 6.435 -4.960 -28.047 1.00 22.14 C ATOM 651 NH1 ARG A 52 5.560 -5.870 -28.453 1.00 3.31 N ATOM 652 NH2 ARG A 52 7.500 -4.691 -28.791 1.00 61.31 N ATOM 0 H ARG A 52 3.664 -6.454 -22.617 1.00 12.41 H new ATOM 0 HA ARG A 52 5.460 -4.127 -22.362 1.00 31.41 H new ATOM 0 HB2 ARG A 52 3.266 -4.610 -24.351 1.00 53.31 H new ATOM 0 HB3 ARG A 52 3.388 -3.006 -23.656 1.00 53.31 H new ATOM 0 HG2 ARG A 52 4.909 -2.559 -25.249 1.00 63.24 H new ATOM 0 HG3 ARG A 52 6.022 -3.569 -24.347 1.00 63.24 H new ATOM 0 HD2 ARG A 52 5.151 -5.570 -25.628 1.00 41.40 H new ATOM 0 HD3 ARG A 52 4.182 -4.477 -26.596 1.00 41.40 H new ATOM 0 HE ARG A 52 6.939 -3.625 -26.614 1.00 71.15 H new ATOM 0 HH11 ARG A 52 4.740 -6.079 -27.883 1.00 3.31 H new ATOM 0 HH12 ARG A 52 5.707 -6.361 -29.335 1.00 3.31 H new ATOM 0 HH21 ARG A 52 8.175 -3.992 -28.481 1.00 61.31 H new ATOM 0 HH22 ARG A 52 7.644 -5.183 -29.673 1.00 61.31 H new ATOM 666 N LEU A 53 3.739 -2.919 -20.895 1.00 3.12 N ATOM 667 CA LEU A 53 2.924 -2.422 -19.792 1.00 4.15 C ATOM 668 C LEU A 53 2.421 -1.011 -20.079 1.00 3.13 C ATOM 669 O LEU A 53 3.198 -0.122 -20.430 1.00 71.13 O ATOM 670 CB LEU A 53 3.730 -2.434 -18.491 1.00 53.30 C ATOM 671 CG LEU A 53 3.364 -1.360 -17.465 1.00 62.05 C ATOM 672 CD1 LEU A 53 1.905 -1.486 -17.058 1.00 34.35 C ATOM 673 CD2 LEU A 53 4.271 -1.456 -16.247 1.00 13.20 C ATOM 0 H LEU A 53 4.459 -2.270 -21.213 1.00 3.12 H new ATOM 0 HA LEU A 53 2.062 -3.080 -19.684 1.00 4.15 H new ATOM 0 HB2 LEU A 53 3.612 -3.411 -18.023 1.00 53.30 H new ATOM 0 HB3 LEU A 53 4.786 -2.326 -18.740 1.00 53.30 H new ATOM 0 HG LEU A 53 3.508 -0.382 -17.924 1.00 62.05 H new ATOM 0 HD11 LEU A 53 1.663 -0.714 -16.328 1.00 34.35 H new ATOM 0 HD12 LEU A 53 1.271 -1.366 -17.936 1.00 34.35 H new ATOM 0 HD13 LEU A 53 1.734 -2.468 -16.618 1.00 34.35 H new ATOM 0 HD21 LEU A 53 3.997 -0.685 -15.527 1.00 13.20 H new ATOM 0 HD22 LEU A 53 4.160 -2.438 -15.787 1.00 13.20 H new ATOM 0 HD23 LEU A 53 5.308 -1.314 -16.553 1.00 13.20 H new ATOM 685 N THR A 54 1.116 -0.811 -19.925 1.00 0.45 N ATOM 686 CA THR A 54 0.509 0.492 -20.166 1.00 51.20 C ATOM 687 C THR A 54 -0.326 0.940 -18.971 1.00 63.35 C ATOM 688 O THR A 54 -1.005 0.131 -18.338 1.00 64.03 O ATOM 689 CB THR A 54 -0.382 0.472 -21.422 1.00 55.41 C ATOM 690 OG1 THR A 54 -0.351 -0.826 -22.025 1.00 31.23 O ATOM 691 CG2 THR A 54 0.078 1.516 -22.429 1.00 21.41 C ATOM 0 H THR A 54 0.459 -1.535 -19.634 1.00 0.45 H new ATOM 0 HA THR A 54 1.325 1.198 -20.319 1.00 51.20 H new ATOM 0 HB THR A 54 -1.403 0.707 -21.120 1.00 55.41 H new ATOM 0 HG1 THR A 54 -0.922 -0.830 -22.822 1.00 31.23 H new ATOM 0 HG21 THR A 54 -0.566 1.483 -23.308 1.00 21.41 H new ATOM 0 HG22 THR A 54 0.024 2.506 -21.977 1.00 21.41 H new ATOM 0 HG23 THR A 54 1.106 1.308 -22.725 1.00 21.41 H new ATOM 699 N TYR A 55 -0.271 2.232 -18.669 1.00 34.01 N ATOM 700 CA TYR A 55 -1.022 2.787 -17.548 1.00 65.34 C ATOM 701 C TYR A 55 -1.866 3.977 -17.994 1.00 24.00 C ATOM 702 O TYR A 55 -1.368 4.899 -18.641 1.00 34.01 O ATOM 703 CB TYR A 55 -0.068 3.213 -16.431 1.00 15.14 C ATOM 704 CG TYR A 55 -0.768 3.838 -15.244 1.00 65.23 C ATOM 705 CD1 TYR A 55 -1.839 3.202 -14.630 1.00 72.21 C ATOM 706 CD2 TYR A 55 -0.355 5.064 -14.737 1.00 54.11 C ATOM 707 CE1 TYR A 55 -2.481 3.769 -13.547 1.00 11.54 C ATOM 708 CE2 TYR A 55 -0.991 5.639 -13.653 1.00 65.41 C ATOM 709 CZ TYR A 55 -2.053 4.988 -13.062 1.00 31.33 C ATOM 710 OH TYR A 55 -2.689 5.556 -11.982 1.00 30.24 O ATOM 0 H TYR A 55 0.285 2.915 -19.184 1.00 34.01 H new ATOM 0 HA TYR A 55 -1.690 2.013 -17.171 1.00 65.34 H new ATOM 0 HB2 TYR A 55 0.495 2.343 -16.094 1.00 15.14 H new ATOM 0 HB3 TYR A 55 0.654 3.924 -16.832 1.00 15.14 H new ATOM 0 HD1 TYR A 55 -2.176 2.247 -15.006 1.00 72.21 H new ATOM 0 HD2 TYR A 55 0.477 5.576 -15.198 1.00 54.11 H new ATOM 0 HE1 TYR A 55 -3.313 3.261 -13.082 1.00 11.54 H new ATOM 0 HE2 TYR A 55 -0.658 6.593 -13.271 1.00 65.41 H new ATOM 0 HH TYR A 55 -3.618 5.245 -11.948 1.00 30.24 H new ATOM 720 N LYS A 56 -3.147 3.950 -17.642 1.00 44.12 N ATOM 721 CA LYS A 56 -4.062 5.026 -18.002 1.00 52.15 C ATOM 722 C LYS A 56 -4.065 5.256 -19.510 1.00 51.04 C ATOM 723 O LYS A 56 -4.231 6.383 -19.976 1.00 33.41 O ATOM 724 CB LYS A 56 -3.673 6.318 -17.280 1.00 35.24 C ATOM 725 CG LYS A 56 -4.780 7.358 -17.255 1.00 71.14 C ATOM 726 CD LYS A 56 -5.621 7.248 -15.995 1.00 35.30 C ATOM 727 CE LYS A 56 -7.041 6.802 -16.310 1.00 31.43 C ATOM 728 NZ LYS A 56 -7.981 7.954 -16.382 1.00 54.13 N ATOM 0 H LYS A 56 -3.575 3.194 -17.107 1.00 44.12 H new ATOM 0 HA LYS A 56 -5.066 4.733 -17.694 1.00 52.15 H new ATOM 0 HB2 LYS A 56 -3.387 6.080 -16.256 1.00 35.24 H new ATOM 0 HB3 LYS A 56 -2.795 6.745 -17.765 1.00 35.24 H new ATOM 0 HG2 LYS A 56 -4.345 8.355 -17.317 1.00 71.14 H new ATOM 0 HG3 LYS A 56 -5.417 7.233 -18.131 1.00 71.14 H new ATOM 0 HD2 LYS A 56 -5.159 6.538 -15.309 1.00 35.30 H new ATOM 0 HD3 LYS A 56 -5.645 8.212 -15.487 1.00 35.30 H new ATOM 0 HE2 LYS A 56 -7.051 6.265 -17.259 1.00 31.43 H new ATOM 0 HE3 LYS A 56 -7.380 6.104 -15.545 1.00 31.43 H new ATOM 0 HZ1 LYS A 56 -8.938 7.608 -16.598 1.00 54.13 H new ATOM 0 HZ2 LYS A 56 -7.991 8.452 -15.469 1.00 54.13 H new ATOM 0 HZ3 LYS A 56 -7.672 8.608 -17.129 1.00 54.13 H new ATOM 742 N GLY A 57 -3.881 4.180 -20.269 1.00 73.32 N ATOM 743 CA GLY A 57 -3.868 4.286 -21.716 1.00 63.14 C ATOM 744 C GLY A 57 -2.623 4.979 -22.235 1.00 54.12 C ATOM 745 O GLY A 57 -2.561 5.364 -23.403 1.00 3.53 O ATOM 0 H GLY A 57 -3.741 3.237 -19.907 1.00 73.32 H new ATOM 0 HA2 GLY A 57 -3.933 3.289 -22.151 1.00 63.14 H new ATOM 0 HA3 GLY A 57 -4.750 4.835 -22.045 1.00 63.14 H new ATOM 749 N ARG A 58 -1.631 5.140 -21.366 1.00 33.44 N ATOM 750 CA ARG A 58 -0.384 5.794 -21.742 1.00 30.11 C ATOM 751 C ARG A 58 0.802 4.853 -21.554 1.00 20.52 C ATOM 752 O ARG A 58 0.763 3.948 -20.720 1.00 61.03 O ATOM 753 CB ARG A 58 -0.178 7.063 -20.912 1.00 74.32 C ATOM 754 CG ARG A 58 1.052 7.860 -21.313 1.00 61.22 C ATOM 755 CD ARG A 58 0.876 9.341 -21.019 1.00 3.32 C ATOM 756 NE ARG A 58 2.090 10.103 -21.302 1.00 14.32 N ATOM 757 CZ ARG A 58 3.141 10.139 -20.491 1.00 21.32 C ATOM 758 NH1 ARG A 58 3.128 9.458 -19.353 1.00 10.42 N ATOM 759 NH2 ARG A 58 4.209 10.855 -20.818 1.00 11.32 N ATOM 0 H ARG A 58 -1.667 4.826 -20.396 1.00 33.44 H new ATOM 0 HA ARG A 58 -0.448 6.064 -22.796 1.00 30.11 H new ATOM 0 HB2 ARG A 58 -1.059 7.697 -21.009 1.00 74.32 H new ATOM 0 HB3 ARG A 58 -0.096 6.790 -19.860 1.00 74.32 H new ATOM 0 HG2 ARG A 58 1.922 7.482 -20.777 1.00 61.22 H new ATOM 0 HG3 ARG A 58 1.247 7.720 -22.376 1.00 61.22 H new ATOM 0 HD2 ARG A 58 0.054 9.734 -21.617 1.00 3.32 H new ATOM 0 HD3 ARG A 58 0.601 9.473 -19.973 1.00 3.32 H new ATOM 0 HE ARG A 58 2.133 10.637 -22.170 1.00 14.32 H new ATOM 0 HH11 ARG A 58 2.309 8.905 -19.099 1.00 10.42 H new ATOM 0 HH12 ARG A 58 3.937 9.487 -18.732 1.00 10.42 H new ATOM 0 HH21 ARG A 58 4.223 11.379 -21.693 1.00 11.32 H new ATOM 0 HH22 ARG A 58 5.016 10.882 -20.194 1.00 11.32 H new ATOM 773 N ALA A 59 1.855 5.072 -22.335 1.00 12.03 N ATOM 774 CA ALA A 59 3.052 4.245 -22.253 1.00 61.22 C ATOM 775 C ALA A 59 4.172 4.971 -21.515 1.00 72.32 C ATOM 776 O ALA A 59 4.633 6.027 -21.950 1.00 62.21 O ATOM 777 CB ALA A 59 3.511 3.841 -23.647 1.00 13.33 C ATOM 0 H ALA A 59 1.903 5.815 -23.032 1.00 12.03 H new ATOM 0 HA ALA A 59 2.804 3.346 -21.689 1.00 61.22 H new ATOM 0 HB1 ALA A 59 4.406 3.224 -23.571 1.00 13.33 H new ATOM 0 HB2 ALA A 59 2.721 3.275 -24.141 1.00 13.33 H new ATOM 0 HB3 ALA A 59 3.735 4.735 -24.229 1.00 13.33 H new ATOM 783 N LEU A 60 4.604 4.399 -20.397 1.00 4.22 N ATOM 784 CA LEU A 60 5.671 4.993 -19.597 1.00 74.32 C ATOM 785 C LEU A 60 6.879 4.065 -19.527 1.00 22.13 C ATOM 786 O LEU A 60 6.749 2.847 -19.650 1.00 32.23 O ATOM 787 CB LEU A 60 5.166 5.300 -18.186 1.00 61.21 C ATOM 788 CG LEU A 60 3.806 5.993 -18.096 1.00 3.34 C ATOM 789 CD1 LEU A 60 2.687 4.966 -18.029 1.00 53.31 C ATOM 790 CD2 LEU A 60 3.758 6.917 -16.887 1.00 60.30 C ATOM 0 H LEU A 60 4.233 3.525 -20.023 1.00 4.22 H new ATOM 0 HA LEU A 60 5.978 5.923 -20.077 1.00 74.32 H new ATOM 0 HB2 LEU A 60 5.112 4.364 -17.629 1.00 61.21 H new ATOM 0 HB3 LEU A 60 5.904 5.926 -17.686 1.00 61.21 H new ATOM 0 HG LEU A 60 3.666 6.594 -18.994 1.00 3.34 H new ATOM 0 HD11 LEU A 60 1.727 5.478 -17.965 1.00 53.31 H new ATOM 0 HD12 LEU A 60 2.709 4.345 -18.925 1.00 53.31 H new ATOM 0 HD13 LEU A 60 2.822 4.338 -17.149 1.00 53.31 H new ATOM 0 HD21 LEU A 60 2.783 7.402 -16.838 1.00 60.30 H new ATOM 0 HD22 LEU A 60 3.920 6.337 -15.979 1.00 60.30 H new ATOM 0 HD23 LEU A 60 4.536 7.675 -16.977 1.00 60.30 H new ATOM 802 N LYS A 61 8.056 4.649 -19.326 1.00 32.31 N ATOM 803 CA LYS A 61 9.289 3.876 -19.235 1.00 34.51 C ATOM 804 C LYS A 61 10.408 4.707 -18.617 1.00 42.24 C ATOM 805 O LYS A 61 10.823 4.463 -17.484 1.00 62.04 O ATOM 806 CB LYS A 61 9.710 3.383 -20.622 1.00 14.45 C ATOM 807 CG LYS A 61 11.073 2.715 -20.641 1.00 44.05 C ATOM 808 CD LYS A 61 11.001 1.318 -21.234 1.00 70.14 C ATOM 809 CE LYS A 61 10.461 0.313 -20.229 1.00 35.14 C ATOM 810 NZ LYS A 61 11.351 -0.873 -20.097 1.00 20.34 N ATOM 0 H LYS A 61 8.182 5.656 -19.223 1.00 32.31 H new ATOM 0 HA LYS A 61 9.103 3.016 -18.592 1.00 34.51 H new ATOM 0 HB2 LYS A 61 8.964 2.678 -20.990 1.00 14.45 H new ATOM 0 HB3 LYS A 61 9.719 4.227 -21.311 1.00 14.45 H new ATOM 0 HG2 LYS A 61 11.769 3.322 -21.221 1.00 44.05 H new ATOM 0 HG3 LYS A 61 11.467 2.661 -19.626 1.00 44.05 H new ATOM 0 HD2 LYS A 61 10.363 1.329 -22.118 1.00 70.14 H new ATOM 0 HD3 LYS A 61 11.994 1.009 -21.562 1.00 70.14 H new ATOM 0 HE2 LYS A 61 10.351 0.794 -19.257 1.00 35.14 H new ATOM 0 HE3 LYS A 61 9.467 -0.011 -20.538 1.00 35.14 H new ATOM 0 HZ1 LYS A 61 11.097 -1.404 -19.240 1.00 20.34 H new ATOM 0 HZ2 LYS A 61 11.239 -1.485 -20.930 1.00 20.34 H new ATOM 0 HZ3 LYS A 61 12.340 -0.559 -20.029 1.00 20.34 H new ATOM 824 N ASP A 62 10.892 5.690 -19.369 1.00 13.55 N ATOM 825 CA ASP A 62 11.962 6.560 -18.894 1.00 13.24 C ATOM 826 C ASP A 62 11.432 7.568 -17.878 1.00 25.44 C ATOM 827 O ASP A 62 12.198 8.324 -17.280 1.00 4.23 O ATOM 828 CB ASP A 62 12.610 7.294 -20.068 1.00 43.41 C ATOM 829 CG ASP A 62 14.008 6.789 -20.366 1.00 3.12 C ATOM 830 OD1 ASP A 62 14.264 5.587 -20.143 1.00 43.44 O ATOM 831 OD2 ASP A 62 14.847 7.596 -20.820 1.00 72.44 O ATOM 0 H ASP A 62 10.560 5.904 -20.310 1.00 13.55 H new ATOM 0 HA ASP A 62 12.712 5.939 -18.405 1.00 13.24 H new ATOM 0 HB2 ASP A 62 11.987 7.176 -20.955 1.00 43.41 H new ATOM 0 HB3 ASP A 62 12.651 8.361 -19.848 1.00 43.41 H new ATOM 836 N THR A 63 10.117 7.573 -17.687 1.00 53.02 N ATOM 837 CA THR A 63 9.484 8.488 -16.746 1.00 5.52 C ATOM 838 C THR A 63 10.047 8.307 -15.340 1.00 75.15 C ATOM 839 O THR A 63 9.924 9.192 -14.494 1.00 74.24 O ATOM 840 CB THR A 63 7.958 8.287 -16.706 1.00 12.42 C ATOM 841 OG1 THR A 63 7.466 8.008 -18.021 1.00 51.22 O ATOM 842 CG2 THR A 63 7.264 9.522 -16.151 1.00 12.03 C ATOM 0 H THR A 63 9.469 6.953 -18.172 1.00 53.02 H new ATOM 0 HA THR A 63 9.700 9.498 -17.094 1.00 5.52 H new ATOM 0 HB THR A 63 7.742 7.443 -16.051 1.00 12.42 H new ATOM 0 HG1 THR A 63 6.486 8.038 -18.017 1.00 51.22 H new ATOM 0 HG21 THR A 63 6.187 9.357 -16.132 1.00 12.03 H new ATOM 0 HG22 THR A 63 7.619 9.715 -15.139 1.00 12.03 H new ATOM 0 HG23 THR A 63 7.488 10.381 -16.784 1.00 12.03 H new ATOM 850 N GLU A 64 10.664 7.154 -15.099 1.00 50.53 N ATOM 851 CA GLU A 64 11.245 6.858 -13.795 1.00 52.20 C ATOM 852 C GLU A 64 10.161 6.772 -12.724 1.00 24.11 C ATOM 853 O GLU A 64 9.716 5.683 -12.361 1.00 32.34 O ATOM 854 CB GLU A 64 12.270 7.928 -13.414 1.00 22.02 C ATOM 855 CG GLU A 64 13.711 7.487 -13.610 1.00 41.41 C ATOM 856 CD GLU A 64 14.688 8.646 -13.553 1.00 22.52 C ATOM 857 OE1 GLU A 64 14.484 9.632 -14.290 1.00 52.14 O ATOM 858 OE2 GLU A 64 15.658 8.565 -12.769 1.00 74.25 O ATOM 0 H GLU A 64 10.774 6.411 -15.789 1.00 50.53 H new ATOM 0 HA GLU A 64 11.746 5.892 -13.859 1.00 52.20 H new ATOM 0 HB2 GLU A 64 12.088 8.822 -14.010 1.00 22.02 H new ATOM 0 HB3 GLU A 64 12.122 8.205 -12.370 1.00 22.02 H new ATOM 0 HG2 GLU A 64 13.972 6.759 -12.842 1.00 41.41 H new ATOM 0 HG3 GLU A 64 13.806 6.984 -14.572 1.00 41.41 H new ATOM 865 N THR A 65 9.741 7.929 -12.221 1.00 24.54 N ATOM 866 CA THR A 65 8.712 7.985 -11.190 1.00 42.02 C ATOM 867 C THR A 65 7.338 8.238 -11.799 1.00 51.32 C ATOM 868 O THR A 65 7.226 8.731 -12.923 1.00 25.42 O ATOM 869 CB THR A 65 9.013 9.085 -10.155 1.00 43.42 C ATOM 870 OG1 THR A 65 8.861 10.377 -10.755 1.00 22.22 O ATOM 871 CG2 THR A 65 10.424 8.939 -9.605 1.00 11.23 C ATOM 0 H THR A 65 10.098 8.840 -12.511 1.00 24.54 H new ATOM 0 HA THR A 65 8.712 7.017 -10.690 1.00 42.02 H new ATOM 0 HB THR A 65 8.306 8.982 -9.332 1.00 43.42 H new ATOM 0 HG1 THR A 65 9.052 11.071 -10.090 1.00 22.22 H new ATOM 0 HG21 THR A 65 10.614 9.727 -8.876 1.00 11.23 H new ATOM 0 HG22 THR A 65 10.528 7.967 -9.124 1.00 11.23 H new ATOM 0 HG23 THR A 65 11.143 9.019 -10.421 1.00 11.23 H new ATOM 879 N LEU A 66 6.293 7.900 -11.051 1.00 43.05 N ATOM 880 CA LEU A 66 4.924 8.092 -11.518 1.00 24.22 C ATOM 881 C LEU A 66 4.117 8.910 -10.515 1.00 42.22 C ATOM 882 O LEU A 66 3.286 9.733 -10.898 1.00 30.30 O ATOM 883 CB LEU A 66 4.250 6.739 -11.750 1.00 35.21 C ATOM 884 CG LEU A 66 3.838 6.432 -13.190 1.00 43.24 C ATOM 885 CD1 LEU A 66 2.989 7.560 -13.755 1.00 10.53 C ATOM 886 CD2 LEU A 66 5.067 6.202 -14.058 1.00 71.42 C ATOM 0 H LEU A 66 6.367 7.492 -10.119 1.00 43.05 H new ATOM 0 HA LEU A 66 4.960 8.639 -12.460 1.00 24.22 H new ATOM 0 HB2 LEU A 66 4.928 5.955 -11.413 1.00 35.21 H new ATOM 0 HB3 LEU A 66 3.362 6.685 -11.120 1.00 35.21 H new ATOM 0 HG LEU A 66 3.241 5.520 -13.190 1.00 43.24 H new ATOM 0 HD11 LEU A 66 2.705 7.323 -14.781 1.00 10.53 H new ATOM 0 HD12 LEU A 66 2.091 7.679 -13.148 1.00 10.53 H new ATOM 0 HD13 LEU A 66 3.561 8.488 -13.742 1.00 10.53 H new ATOM 0 HD21 LEU A 66 4.755 5.985 -15.080 1.00 71.42 H new ATOM 0 HD22 LEU A 66 5.690 7.096 -14.051 1.00 71.42 H new ATOM 0 HD23 LEU A 66 5.637 5.360 -13.666 1.00 71.42 H new ATOM 898 N GLU A 67 4.370 8.680 -9.231 1.00 22.44 N ATOM 899 CA GLU A 67 3.667 9.397 -8.174 1.00 4.24 C ATOM 900 C GLU A 67 3.873 10.903 -8.309 1.00 12.22 C ATOM 901 O GLU A 67 3.025 11.696 -7.897 1.00 65.51 O ATOM 902 CB GLU A 67 4.150 8.927 -6.800 1.00 34.03 C ATOM 903 CG GLU A 67 5.547 9.409 -6.447 1.00 54.30 C ATOM 904 CD GLU A 67 5.541 10.760 -5.758 1.00 12.10 C ATOM 905 OE1 GLU A 67 4.687 10.971 -4.871 1.00 61.25 O ATOM 906 OE2 GLU A 67 6.391 11.606 -6.106 1.00 11.43 O ATOM 0 H GLU A 67 5.056 8.003 -8.898 1.00 22.44 H new ATOM 0 HA GLU A 67 2.603 9.183 -8.270 1.00 4.24 H new ATOM 0 HB2 GLU A 67 3.451 9.277 -6.040 1.00 34.03 H new ATOM 0 HB3 GLU A 67 4.133 7.838 -6.772 1.00 34.03 H new ATOM 0 HG2 GLU A 67 6.027 8.676 -5.798 1.00 54.30 H new ATOM 0 HG3 GLU A 67 6.146 9.471 -7.355 1.00 54.30 H new ATOM 913 N SER A 68 5.005 11.290 -8.888 1.00 53.52 N ATOM 914 CA SER A 68 5.325 12.701 -9.074 1.00 74.12 C ATOM 915 C SER A 68 4.333 13.362 -10.027 1.00 64.34 C ATOM 916 O SER A 68 4.250 14.588 -10.103 1.00 13.33 O ATOM 917 CB SER A 68 6.748 12.856 -9.613 1.00 2.13 C ATOM 918 OG SER A 68 7.093 14.223 -9.756 1.00 1.12 O ATOM 0 H SER A 68 5.716 10.647 -9.236 1.00 53.52 H new ATOM 0 HA SER A 68 5.255 13.195 -8.105 1.00 74.12 H new ATOM 0 HB2 SER A 68 7.451 12.369 -8.937 1.00 2.13 H new ATOM 0 HB3 SER A 68 6.832 12.354 -10.577 1.00 2.13 H new ATOM 0 HG SER A 68 6.279 14.755 -9.880 1.00 1.12 H new ATOM 924 N LEU A 69 3.584 12.540 -10.754 1.00 51.21 N ATOM 925 CA LEU A 69 2.597 13.043 -11.704 1.00 2.14 C ATOM 926 C LEU A 69 1.197 13.018 -11.099 1.00 2.34 C ATOM 927 O LEU A 69 0.269 13.625 -11.631 1.00 72.32 O ATOM 928 CB LEU A 69 2.625 12.211 -12.987 1.00 43.31 C ATOM 929 CG LEU A 69 3.645 12.641 -14.043 1.00 34.41 C ATOM 930 CD1 LEU A 69 5.030 12.763 -13.428 1.00 63.25 C ATOM 931 CD2 LEU A 69 3.658 11.655 -15.203 1.00 4.34 C ATOM 0 H LEU A 69 3.641 11.523 -10.704 1.00 51.21 H new ATOM 0 HA LEU A 69 2.852 14.076 -11.942 1.00 2.14 H new ATOM 0 HB2 LEU A 69 2.824 11.173 -12.719 1.00 43.31 H new ATOM 0 HB3 LEU A 69 1.632 12.239 -13.437 1.00 43.31 H new ATOM 0 HG LEU A 69 3.354 13.619 -14.427 1.00 34.41 H new ATOM 0 HD11 LEU A 69 5.742 13.070 -14.194 1.00 63.25 H new ATOM 0 HD12 LEU A 69 5.010 13.507 -12.632 1.00 63.25 H new ATOM 0 HD13 LEU A 69 5.332 11.800 -13.017 1.00 63.25 H new ATOM 0 HD21 LEU A 69 4.389 11.976 -15.945 1.00 4.34 H new ATOM 0 HD22 LEU A 69 3.925 10.664 -14.835 1.00 4.34 H new ATOM 0 HD23 LEU A 69 2.669 11.618 -15.660 1.00 4.34 H new ATOM 943 N GLY A 70 1.054 12.314 -9.980 1.00 73.30 N ATOM 944 CA GLY A 70 -0.235 12.225 -9.320 1.00 34.24 C ATOM 945 C GLY A 70 -0.722 10.795 -9.187 1.00 42.24 C ATOM 946 O GLY A 70 -1.915 10.552 -9.004 1.00 24.11 O ATOM 0 H GLY A 70 1.808 11.804 -9.519 1.00 73.30 H new ATOM 0 HA2 GLY A 70 -0.164 12.675 -8.330 1.00 34.24 H new ATOM 0 HA3 GLY A 70 -0.968 12.804 -9.882 1.00 34.24 H new ATOM 950 N VAL A 71 0.204 9.846 -9.282 1.00 74.33 N ATOM 951 CA VAL A 71 -0.137 8.432 -9.173 1.00 12.32 C ATOM 952 C VAL A 71 -0.024 7.950 -7.731 1.00 65.31 C ATOM 953 O VAL A 71 0.886 8.346 -7.003 1.00 11.30 O ATOM 954 CB VAL A 71 0.770 7.565 -10.066 1.00 1.32 C ATOM 955 CG1 VAL A 71 0.426 6.092 -9.906 1.00 41.25 C ATOM 956 CG2 VAL A 71 0.652 7.994 -11.520 1.00 42.55 C ATOM 0 H VAL A 71 1.196 10.030 -9.434 1.00 74.33 H new ATOM 0 HA VAL A 71 -1.169 8.328 -9.508 1.00 12.32 H new ATOM 0 HB VAL A 71 1.804 7.708 -9.752 1.00 1.32 H new ATOM 0 HG11 VAL A 71 1.077 5.495 -10.545 1.00 41.25 H new ATOM 0 HG12 VAL A 71 0.567 5.796 -8.866 1.00 41.25 H new ATOM 0 HG13 VAL A 71 -0.613 5.928 -10.192 1.00 41.25 H new ATOM 0 HG21 VAL A 71 1.300 7.371 -12.137 1.00 42.55 H new ATOM 0 HG22 VAL A 71 -0.381 7.882 -11.850 1.00 42.55 H new ATOM 0 HG23 VAL A 71 0.953 9.037 -11.617 1.00 42.55 H new ATOM 966 N ALA A 72 -0.953 7.091 -7.325 1.00 61.24 N ATOM 967 CA ALA A 72 -0.956 6.552 -5.971 1.00 62.42 C ATOM 968 C ALA A 72 -0.878 5.029 -5.986 1.00 62.35 C ATOM 969 O ALA A 72 -1.049 4.399 -7.031 1.00 1.43 O ATOM 970 CB ALA A 72 -2.198 7.011 -5.223 1.00 34.21 C ATOM 0 H ALA A 72 -1.714 6.753 -7.915 1.00 61.24 H new ATOM 0 HA ALA A 72 -0.074 6.930 -5.454 1.00 62.42 H new ATOM 0 HB1 ALA A 72 -2.187 6.601 -4.213 1.00 34.21 H new ATOM 0 HB2 ALA A 72 -2.211 8.100 -5.172 1.00 34.21 H new ATOM 0 HB3 ALA A 72 -3.088 6.662 -5.747 1.00 34.21 H new ATOM 976 N ASP A 73 -0.618 4.443 -4.823 1.00 61.30 N ATOM 977 CA ASP A 73 -0.517 2.993 -4.703 1.00 34.13 C ATOM 978 C ASP A 73 -1.897 2.345 -4.773 1.00 23.13 C ATOM 979 O ASP A 73 -2.889 2.923 -4.331 1.00 44.40 O ATOM 980 CB ASP A 73 0.171 2.615 -3.390 1.00 42.13 C ATOM 981 CG ASP A 73 1.667 2.856 -3.431 1.00 64.14 C ATOM 982 OD1 ASP A 73 2.310 2.434 -4.416 1.00 52.22 O ATOM 983 OD2 ASP A 73 2.196 3.467 -2.479 1.00 70.23 O ATOM 0 H ASP A 73 -0.473 4.950 -3.950 1.00 61.30 H new ATOM 0 HA ASP A 73 0.081 2.625 -5.537 1.00 34.13 H new ATOM 0 HB2 ASP A 73 -0.265 3.193 -2.575 1.00 42.13 H new ATOM 0 HB3 ASP A 73 -0.019 1.564 -3.173 1.00 42.13 H new ATOM 988 N GLY A 74 -1.952 1.140 -5.332 1.00 65.12 N ATOM 989 CA GLY A 74 -3.214 0.434 -5.451 1.00 22.10 C ATOM 990 C GLY A 74 -3.869 0.641 -6.802 1.00 13.41 C ATOM 991 O GLY A 74 -5.079 0.462 -6.947 1.00 4.22 O ATOM 0 H GLY A 74 -1.145 0.640 -5.705 1.00 65.12 H new ATOM 0 HA2 GLY A 74 -3.047 -0.631 -5.291 1.00 22.10 H new ATOM 0 HA3 GLY A 74 -3.891 0.772 -4.667 1.00 22.10 H new ATOM 995 N ASP A 75 -3.071 1.022 -7.793 1.00 25.21 N ATOM 996 CA ASP A 75 -3.580 1.255 -9.139 1.00 72.22 C ATOM 997 C ASP A 75 -3.668 -0.052 -9.921 1.00 32.32 C ATOM 998 O ASP A 75 -3.369 -1.124 -9.395 1.00 21.43 O ATOM 999 CB ASP A 75 -2.685 2.248 -9.882 1.00 11.24 C ATOM 1000 CG ASP A 75 -3.344 3.602 -10.057 1.00 0.30 C ATOM 1001 OD1 ASP A 75 -4.404 3.666 -10.715 1.00 2.12 O ATOM 1002 OD2 ASP A 75 -2.800 4.598 -9.536 1.00 13.13 O ATOM 0 H ASP A 75 -2.068 1.176 -7.689 1.00 25.21 H new ATOM 0 HA ASP A 75 -4.582 1.675 -9.053 1.00 72.22 H new ATOM 0 HB2 ASP A 75 -1.750 2.370 -9.335 1.00 11.24 H new ATOM 0 HB3 ASP A 75 -2.431 1.842 -10.861 1.00 11.24 H new ATOM 1007 N LYS A 76 -4.082 0.044 -11.180 1.00 23.11 N ATOM 1008 CA LYS A 76 -4.209 -1.130 -12.036 1.00 15.25 C ATOM 1009 C LYS A 76 -3.377 -0.972 -13.304 1.00 11.31 C ATOM 1010 O LYS A 76 -3.455 0.050 -13.986 1.00 4.52 O ATOM 1011 CB LYS A 76 -5.677 -1.362 -12.402 1.00 31.14 C ATOM 1012 CG LYS A 76 -6.312 -0.196 -13.140 1.00 63.41 C ATOM 1013 CD LYS A 76 -7.821 -0.180 -12.964 1.00 2.31 C ATOM 1014 CE LYS A 76 -8.532 -0.721 -14.195 1.00 3.41 C ATOM 1015 NZ LYS A 76 -9.390 0.312 -14.838 1.00 52.23 N ATOM 0 H LYS A 76 -4.335 0.923 -11.631 1.00 23.11 H new ATOM 0 HA LYS A 76 -3.837 -1.993 -11.484 1.00 15.25 H new ATOM 0 HB2 LYS A 76 -5.751 -2.256 -13.021 1.00 31.14 H new ATOM 0 HB3 LYS A 76 -6.243 -1.556 -11.491 1.00 31.14 H new ATOM 0 HG2 LYS A 76 -5.892 0.740 -12.773 1.00 63.41 H new ATOM 0 HG3 LYS A 76 -6.069 -0.260 -14.201 1.00 63.41 H new ATOM 0 HD2 LYS A 76 -8.093 -0.777 -12.094 1.00 2.31 H new ATOM 0 HD3 LYS A 76 -8.155 0.839 -12.768 1.00 2.31 H new ATOM 0 HE2 LYS A 76 -7.794 -1.078 -14.913 1.00 3.41 H new ATOM 0 HE3 LYS A 76 -9.144 -1.578 -13.914 1.00 3.41 H new ATOM 0 HZ1 LYS A 76 -9.857 -0.096 -15.673 1.00 52.23 H new ATOM 0 HZ2 LYS A 76 -10.111 0.635 -14.161 1.00 52.23 H new ATOM 0 HZ3 LYS A 76 -8.802 1.119 -15.130 1.00 52.23 H new ATOM 1029 N PHE A 77 -2.582 -1.990 -13.615 1.00 73.23 N ATOM 1030 CA PHE A 77 -1.736 -1.964 -14.803 1.00 22.15 C ATOM 1031 C PHE A 77 -2.218 -2.977 -15.837 1.00 14.21 C ATOM 1032 O PHE A 77 -2.673 -4.067 -15.490 1.00 23.10 O ATOM 1033 CB PHE A 77 -0.282 -2.257 -14.425 1.00 13.00 C ATOM 1034 CG PHE A 77 0.408 -1.102 -13.758 1.00 44.23 C ATOM 1035 CD1 PHE A 77 0.354 0.168 -14.311 1.00 70.42 C ATOM 1036 CD2 PHE A 77 1.111 -1.285 -12.579 1.00 5.04 C ATOM 1037 CE1 PHE A 77 0.989 1.232 -13.700 1.00 43.01 C ATOM 1038 CE2 PHE A 77 1.748 -0.224 -11.963 1.00 25.13 C ATOM 1039 CZ PHE A 77 1.686 1.036 -12.524 1.00 3.32 C ATOM 0 H PHE A 77 -2.506 -2.843 -13.061 1.00 73.23 H new ATOM 0 HA PHE A 77 -1.798 -0.968 -15.241 1.00 22.15 H new ATOM 0 HB2 PHE A 77 -0.255 -3.120 -13.759 1.00 13.00 H new ATOM 0 HB3 PHE A 77 0.271 -2.530 -15.324 1.00 13.00 H new ATOM 0 HD1 PHE A 77 -0.191 0.327 -15.230 1.00 70.42 H new ATOM 0 HD2 PHE A 77 1.162 -2.268 -12.135 1.00 5.04 H new ATOM 0 HE1 PHE A 77 0.940 2.216 -14.142 1.00 43.01 H new ATOM 0 HE2 PHE A 77 2.293 -0.381 -11.044 1.00 25.13 H new ATOM 0 HZ PHE A 77 2.182 1.867 -12.044 1.00 3.32 H new ATOM 1049 N VAL A 78 -2.117 -2.608 -17.110 1.00 1.41 N ATOM 1050 CA VAL A 78 -2.542 -3.483 -18.196 1.00 11.41 C ATOM 1051 C VAL A 78 -1.347 -4.171 -18.847 1.00 15.41 C ATOM 1052 O VAL A 78 -0.418 -3.513 -19.317 1.00 11.34 O ATOM 1053 CB VAL A 78 -3.321 -2.704 -19.272 1.00 52.42 C ATOM 1054 CG1 VAL A 78 -3.882 -3.654 -20.319 1.00 30.33 C ATOM 1055 CG2 VAL A 78 -4.432 -1.883 -18.635 1.00 55.24 C ATOM 0 H VAL A 78 -1.744 -1.709 -17.415 1.00 1.41 H new ATOM 0 HA VAL A 78 -3.197 -4.236 -17.758 1.00 11.41 H new ATOM 0 HB VAL A 78 -2.634 -2.020 -19.769 1.00 52.42 H new ATOM 0 HG11 VAL A 78 -4.429 -3.085 -21.071 1.00 30.33 H new ATOM 0 HG12 VAL A 78 -3.064 -4.193 -20.796 1.00 30.33 H new ATOM 0 HG13 VAL A 78 -4.556 -4.365 -19.841 1.00 30.33 H new ATOM 0 HG21 VAL A 78 -4.972 -1.339 -19.410 1.00 55.24 H new ATOM 0 HG22 VAL A 78 -5.120 -2.546 -18.111 1.00 55.24 H new ATOM 0 HG23 VAL A 78 -4.001 -1.175 -17.928 1.00 55.24 H new ATOM 1065 N LEU A 79 -1.378 -5.498 -18.872 1.00 72.42 N ATOM 1066 CA LEU A 79 -0.298 -6.278 -19.467 1.00 4.42 C ATOM 1067 C LEU A 79 -0.717 -6.849 -20.817 1.00 54.45 C ATOM 1068 O LEU A 79 -1.773 -7.472 -20.938 1.00 3.31 O ATOM 1069 CB LEU A 79 0.117 -7.411 -18.527 1.00 73.54 C ATOM 1070 CG LEU A 79 1.616 -7.549 -18.262 1.00 63.22 C ATOM 1071 CD1 LEU A 79 2.171 -6.269 -17.657 1.00 42.02 C ATOM 1072 CD2 LEU A 79 1.890 -8.735 -17.349 1.00 34.14 C ATOM 0 H LEU A 79 -2.139 -6.057 -18.487 1.00 72.42 H new ATOM 0 HA LEU A 79 0.552 -5.614 -19.623 1.00 4.42 H new ATOM 0 HB2 LEU A 79 -0.389 -7.267 -17.572 1.00 73.54 H new ATOM 0 HB3 LEU A 79 -0.246 -8.351 -18.942 1.00 73.54 H new ATOM 0 HG LEU A 79 2.119 -7.725 -19.213 1.00 63.22 H new ATOM 0 HD11 LEU A 79 3.239 -6.386 -17.475 1.00 42.02 H new ATOM 0 HD12 LEU A 79 2.009 -5.441 -18.346 1.00 42.02 H new ATOM 0 HD13 LEU A 79 1.663 -6.062 -16.715 1.00 42.02 H new ATOM 0 HD21 LEU A 79 2.962 -8.817 -17.172 1.00 34.14 H new ATOM 0 HD22 LEU A 79 1.375 -8.590 -16.399 1.00 34.14 H new ATOM 0 HD23 LEU A 79 1.529 -9.649 -17.821 1.00 34.14 H new ATOM 1084 N ILE A 80 0.116 -6.634 -21.830 1.00 0.43 N ATOM 1085 CA ILE A 80 -0.167 -7.130 -23.171 1.00 14.24 C ATOM 1086 C ILE A 80 0.988 -7.971 -23.701 1.00 65.12 C ATOM 1087 O ILE A 80 2.124 -7.502 -23.790 1.00 32.04 O ATOM 1088 CB ILE A 80 -0.440 -5.975 -24.152 1.00 50.04 C ATOM 1089 CG1 ILE A 80 -0.686 -6.521 -25.560 1.00 52.13 C ATOM 1090 CG2 ILE A 80 0.724 -4.995 -24.154 1.00 61.52 C ATOM 1091 CD1 ILE A 80 -1.617 -5.662 -26.387 1.00 42.24 C ATOM 0 H ILE A 80 0.993 -6.119 -21.747 1.00 0.43 H new ATOM 0 HA ILE A 80 -1.060 -7.751 -23.096 1.00 14.24 H new ATOM 0 HB ILE A 80 -1.335 -5.445 -23.826 1.00 50.04 H new ATOM 0 HG12 ILE A 80 0.269 -6.611 -26.078 1.00 52.13 H new ATOM 0 HG13 ILE A 80 -1.103 -7.525 -25.484 1.00 52.13 H new ATOM 0 HG21 ILE A 80 0.516 -4.184 -24.852 1.00 61.52 H new ATOM 0 HG22 ILE A 80 0.857 -4.586 -23.152 1.00 61.52 H new ATOM 0 HG23 ILE A 80 1.634 -5.512 -24.459 1.00 61.52 H new ATOM 0 HD11 ILE A 80 -1.746 -6.109 -27.373 1.00 42.24 H new ATOM 0 HD12 ILE A 80 -2.585 -5.593 -25.891 1.00 42.24 H new ATOM 0 HD13 ILE A 80 -1.192 -4.664 -26.494 1.00 42.24 H new ATOM 1103 N THR A 81 0.692 -9.218 -24.056 1.00 2.24 N ATOM 1104 CA THR A 81 1.706 -10.125 -24.578 1.00 72.15 C ATOM 1105 C THR A 81 1.427 -10.480 -26.034 1.00 62.45 C ATOM 1106 O THR A 81 0.274 -10.643 -26.434 1.00 0.41 O ATOM 1107 CB THR A 81 1.780 -11.422 -23.751 1.00 12.14 C ATOM 1108 OG1 THR A 81 0.654 -12.257 -24.046 1.00 3.51 O ATOM 1109 CG2 THR A 81 1.811 -11.112 -22.262 1.00 21.35 C ATOM 0 H THR A 81 -0.242 -9.622 -23.991 1.00 2.24 H new ATOM 0 HA THR A 81 2.661 -9.605 -24.509 1.00 72.15 H new ATOM 0 HB THR A 81 2.699 -11.945 -24.017 1.00 12.14 H new ATOM 0 HG1 THR A 81 0.829 -13.167 -23.728 1.00 3.51 H new ATOM 0 HG21 THR A 81 1.863 -12.043 -21.698 1.00 21.35 H new ATOM 0 HG22 THR A 81 2.685 -10.501 -22.036 1.00 21.35 H new ATOM 0 HG23 THR A 81 0.907 -10.570 -21.984 1.00 21.35 H new ATOM 1117 N ARG A 82 2.490 -10.600 -26.823 1.00 60.52 N ATOM 1118 CA ARG A 82 2.359 -10.936 -28.236 1.00 20.41 C ATOM 1119 C ARG A 82 2.182 -12.440 -28.423 1.00 31.41 C ATOM 1120 O ARG A 82 2.748 -13.241 -27.678 1.00 62.21 O ATOM 1121 CB ARG A 82 3.587 -10.456 -29.012 1.00 73.21 C ATOM 1122 CG ARG A 82 3.358 -10.353 -30.511 1.00 74.42 C ATOM 1123 CD ARG A 82 2.828 -8.982 -30.901 1.00 33.30 C ATOM 1124 NE ARG A 82 3.270 -8.584 -32.234 1.00 51.55 N ATOM 1125 CZ ARG A 82 2.831 -7.497 -32.860 1.00 75.21 C ATOM 1126 NH1 ARG A 82 1.942 -6.705 -32.276 1.00 21.33 N ATOM 1127 NH2 ARG A 82 3.280 -7.201 -34.073 1.00 4.23 N ATOM 0 H ARG A 82 3.451 -10.470 -26.508 1.00 60.52 H new ATOM 0 HA ARG A 82 1.473 -10.432 -28.623 1.00 20.41 H new ATOM 0 HB2 ARG A 82 3.888 -9.480 -28.631 1.00 73.21 H new ATOM 0 HB3 ARG A 82 4.415 -11.140 -28.826 1.00 73.21 H new ATOM 0 HG2 ARG A 82 4.293 -10.546 -31.037 1.00 74.42 H new ATOM 0 HG3 ARG A 82 2.651 -11.121 -30.826 1.00 74.42 H new ATOM 0 HD2 ARG A 82 1.739 -8.992 -30.868 1.00 33.30 H new ATOM 0 HD3 ARG A 82 3.162 -8.243 -30.173 1.00 33.30 H new ATOM 0 HE ARG A 82 3.953 -9.172 -32.711 1.00 51.55 H new ATOM 0 HH11 ARG A 82 1.593 -6.929 -31.344 1.00 21.33 H new ATOM 0 HH12 ARG A 82 1.607 -5.871 -32.759 1.00 21.33 H new ATOM 0 HH21 ARG A 82 3.963 -7.808 -34.526 1.00 4.23 H new ATOM 0 HH22 ARG A 82 2.942 -6.366 -34.552 1.00 4.23 H new ATOM 1141 N THR A 83 1.391 -12.818 -29.423 1.00 22.23 N ATOM 1142 CA THR A 83 1.138 -14.225 -29.707 1.00 13.01 C ATOM 1143 C THR A 83 0.906 -14.452 -31.196 1.00 45.05 C ATOM 1144 O THR A 83 0.113 -15.308 -31.589 1.00 3.05 O ATOM 1145 CB THR A 83 -0.083 -14.745 -28.924 1.00 62.24 C ATOM 1146 OG1 THR A 83 -0.210 -16.161 -29.100 1.00 11.45 O ATOM 1147 CG2 THR A 83 -1.357 -14.055 -29.388 1.00 21.13 C ATOM 0 H THR A 83 0.915 -12.169 -30.049 1.00 22.23 H new ATOM 0 HA THR A 83 2.024 -14.776 -29.392 1.00 13.01 H new ATOM 0 HB THR A 83 0.068 -14.522 -27.868 1.00 62.24 H new ATOM 0 HG1 THR A 83 -0.127 -16.381 -30.051 1.00 11.45 H new ATOM 0 HG21 THR A 83 -2.205 -14.438 -28.821 1.00 21.13 H new ATOM 0 HG22 THR A 83 -1.268 -12.981 -29.227 1.00 21.13 H new ATOM 0 HG23 THR A 83 -1.511 -14.251 -30.449 1.00 21.13 H new ATOM 1155 N VAL A 84 1.605 -13.680 -32.023 1.00 73.35 N ATOM 1156 CA VAL A 84 1.477 -13.799 -33.471 1.00 54.30 C ATOM 1157 C VAL A 84 2.180 -15.050 -33.984 1.00 74.33 C ATOM 1158 O VAL A 84 3.001 -15.644 -33.287 1.00 33.13 O ATOM 1159 CB VAL A 84 2.058 -12.566 -34.189 1.00 12.04 C ATOM 1160 CG1 VAL A 84 1.308 -11.307 -33.779 1.00 64.15 C ATOM 1161 CG2 VAL A 84 3.544 -12.431 -33.895 1.00 3.30 C ATOM 0 H VAL A 84 2.265 -12.966 -31.715 1.00 73.35 H new ATOM 0 HA VAL A 84 0.411 -13.869 -33.690 1.00 54.30 H new ATOM 0 HB VAL A 84 1.934 -12.700 -35.264 1.00 12.04 H new ATOM 0 HG11 VAL A 84 1.732 -10.446 -34.296 1.00 64.15 H new ATOM 0 HG12 VAL A 84 0.256 -11.408 -34.045 1.00 64.15 H new ATOM 0 HG13 VAL A 84 1.398 -11.164 -32.702 1.00 64.15 H new ATOM 0 HG21 VAL A 84 3.939 -11.555 -34.410 1.00 3.30 H new ATOM 0 HG22 VAL A 84 3.694 -12.319 -32.821 1.00 3.30 H new ATOM 0 HG23 VAL A 84 4.066 -13.322 -34.243 1.00 3.30 H new ATOM 1171 N GLY A 85 1.851 -15.446 -35.211 1.00 25.14 N ATOM 1172 CA GLY A 85 2.461 -16.625 -35.797 1.00 72.25 C ATOM 1173 C GLY A 85 2.168 -16.753 -37.279 1.00 53.22 C ATOM 1174 O GLY A 85 2.651 -15.958 -38.085 1.00 12.41 O ATOM 0 H GLY A 85 1.174 -14.972 -35.808 1.00 25.14 H new ATOM 0 HA2 GLY A 85 3.540 -16.586 -35.645 1.00 72.25 H new ATOM 0 HA3 GLY A 85 2.098 -17.513 -35.280 1.00 72.25 H new TER 1178 GLY A 85