USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 1 MET CE :methyl -115:sc= -0.0121 (180deg=-0.104) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.688 K(o=0.69,f=-6.1!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -59:sc= 0.245 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.368 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.235) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.0155 K(o=0.016,f=-3.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 75:sc= -0.214 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.8) USER MOD Single : A 51 SER OG : rot 180:sc= -0.19 USER MOD Single : A 53 LYS NZ :NH3+ -134:sc=-0.000273 (180deg=-0.204) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.11) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.38 X(o=-2.4,f=-1.9!) USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0143) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0828) USER MOD Single : A 68 LYS NZ :NH3+ -135:sc= 0.583 (180deg=-0.131) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.086 16.792 1.733 1.00 0.00 N ATOM 2 CA MET A 1 -15.729 17.331 1.428 1.00 0.00 C ATOM 3 C MET A 1 -14.756 16.981 2.556 1.00 0.00 C ATOM 4 O MET A 1 -14.947 17.368 3.693 1.00 0.00 O ATOM 5 CB MET A 1 -15.917 18.845 1.331 1.00 0.00 C ATOM 6 CG MET A 1 -14.723 19.462 0.601 1.00 0.00 C ATOM 7 SD MET A 1 -14.800 21.266 0.733 1.00 0.00 S ATOM 8 CE MET A 1 -16.039 21.535 -0.559 1.00 0.00 C ATOM 0 H1 MET A 1 -17.738 17.036 0.960 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.035 15.758 1.830 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.432 17.206 2.622 1.00 0.00 H new ATOM 0 HA MET A 1 -15.314 16.913 0.511 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.840 19.074 0.799 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.009 19.275 2.328 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.791 19.095 1.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.730 19.163 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.591 22.092 -1.382 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.398 20.573 -0.925 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.875 22.102 -0.149 1.00 0.00 H new ATOM 20 N LYS A 2 -13.714 16.253 2.246 1.00 0.00 N ATOM 21 CA LYS A 2 -12.720 15.873 3.295 1.00 0.00 C ATOM 22 C LYS A 2 -11.294 16.121 2.794 1.00 0.00 C ATOM 23 O LYS A 2 -10.357 15.477 3.229 1.00 0.00 O ATOM 24 CB LYS A 2 -12.952 14.382 3.538 1.00 0.00 C ATOM 25 CG LYS A 2 -13.864 14.199 4.755 1.00 0.00 C ATOM 26 CD LYS A 2 -13.329 13.068 5.635 1.00 0.00 C ATOM 27 CE LYS A 2 -14.468 12.469 6.459 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.279 13.008 7.834 1.00 0.00 N ATOM 0 H LYS A 2 -13.508 15.905 1.310 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.839 16.459 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.406 13.926 2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.000 13.877 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.913 15.126 5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.879 13.971 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.873 12.297 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.550 13.447 6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.439 12.754 6.054 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.428 11.380 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.026 12.639 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.349 12.715 8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.330 14.046 7.810 1.00 0.00 H new ATOM 42 N LYS A 3 -11.126 17.046 1.884 1.00 0.00 N ATOM 43 CA LYS A 3 -9.762 17.339 1.349 1.00 0.00 C ATOM 44 C LYS A 3 -8.869 17.904 2.457 1.00 0.00 C ATOM 45 O LYS A 3 -9.160 17.769 3.631 1.00 0.00 O ATOM 46 CB LYS A 3 -9.974 18.380 0.245 1.00 0.00 C ATOM 47 CG LYS A 3 -9.122 18.017 -0.974 1.00 0.00 C ATOM 48 CD LYS A 3 -9.463 18.954 -2.135 1.00 0.00 C ATOM 49 CE LYS A 3 -8.641 18.563 -3.365 1.00 0.00 C ATOM 50 NZ LYS A 3 -8.822 19.690 -4.322 1.00 0.00 N ATOM 0 H LYS A 3 -11.876 17.612 1.488 1.00 0.00 H new ATOM 0 HA LYS A 3 -9.270 16.443 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.027 18.420 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.703 19.371 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.063 18.097 -0.727 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.305 16.982 -1.263 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.527 18.896 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.252 19.987 -1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.590 18.426 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.991 17.623 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.287 19.495 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.831 19.792 -4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.474 20.570 -3.891 1.00 0.00 H new ATOM 64 N LYS A 4 -7.786 18.539 2.087 1.00 0.00 N ATOM 65 CA LYS A 4 -6.865 19.122 3.095 1.00 0.00 C ATOM 66 C LYS A 4 -6.277 20.433 2.546 1.00 0.00 C ATOM 67 O LYS A 4 -6.937 21.146 1.814 1.00 0.00 O ATOM 68 CB LYS A 4 -5.782 18.055 3.307 1.00 0.00 C ATOM 69 CG LYS A 4 -6.422 16.761 3.817 1.00 0.00 C ATOM 70 CD LYS A 4 -5.376 15.941 4.577 1.00 0.00 C ATOM 71 CE LYS A 4 -4.976 16.684 5.854 1.00 0.00 C ATOM 72 NZ LYS A 4 -4.319 15.654 6.707 1.00 0.00 N ATOM 0 H LYS A 4 -7.502 18.677 1.117 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.355 19.369 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.256 17.867 2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.042 18.412 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.264 16.992 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.816 16.183 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.778 14.959 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.500 15.777 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.297 17.508 5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.846 17.112 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.016 16.087 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.992 14.886 6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.490 15.269 6.210 1.00 0.00 H new ATOM 86 N ASP A 5 -5.052 20.759 2.885 1.00 0.00 N ATOM 87 CA ASP A 5 -4.441 22.021 2.373 1.00 0.00 C ATOM 88 C ASP A 5 -3.667 21.747 1.072 1.00 0.00 C ATOM 89 O ASP A 5 -3.365 20.609 0.771 1.00 0.00 O ATOM 90 CB ASP A 5 -3.486 22.465 3.480 1.00 0.00 C ATOM 91 CG ASP A 5 -4.165 23.524 4.351 1.00 0.00 C ATOM 92 OD1 ASP A 5 -5.192 23.215 4.932 1.00 0.00 O ATOM 93 OD2 ASP A 5 -3.647 24.626 4.421 1.00 0.00 O ATOM 0 H ASP A 5 -4.451 20.204 3.494 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.187 22.782 2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.197 21.609 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.572 22.869 3.045 1.00 0.00 H new ATOM 98 N PRO A 6 -3.370 22.796 0.334 1.00 0.00 N ATOM 99 CA PRO A 6 -2.626 22.630 -0.939 1.00 0.00 C ATOM 100 C PRO A 6 -1.157 22.296 -0.662 1.00 0.00 C ATOM 101 O PRO A 6 -0.508 21.622 -1.439 1.00 0.00 O ATOM 102 CB PRO A 6 -2.750 23.995 -1.611 1.00 0.00 C ATOM 103 CG PRO A 6 -2.975 24.960 -0.492 1.00 0.00 C ATOM 104 CD PRO A 6 -3.687 24.210 0.603 1.00 0.00 C ATOM 0 HA PRO A 6 -3.013 21.819 -1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.848 24.243 -2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.578 24.012 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.027 25.360 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.571 25.808 -0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.337 24.516 1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.762 24.390 0.576 1.00 0.00 H new ATOM 112 N ASN A 7 -0.634 22.763 0.444 1.00 0.00 N ATOM 113 CA ASN A 7 0.793 22.478 0.782 1.00 0.00 C ATOM 114 C ASN A 7 0.878 21.364 1.830 1.00 0.00 C ATOM 115 O ASN A 7 1.801 21.310 2.621 1.00 0.00 O ATOM 116 CB ASN A 7 1.343 23.796 1.336 1.00 0.00 C ATOM 117 CG ASN A 7 0.552 24.218 2.580 1.00 0.00 C ATOM 118 OD1 ASN A 7 -0.658 24.311 2.542 1.00 0.00 O ATOM 119 ND2 ASN A 7 1.192 24.479 3.686 1.00 0.00 N ATOM 0 H ASN A 7 -1.135 23.330 1.128 1.00 0.00 H new ATOM 0 HA ASN A 7 1.363 22.136 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.397 23.681 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.280 24.574 0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.676 24.761 4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.209 24.401 3.718 1.00 0.00 H new ATOM 126 N ALA A 8 -0.080 20.476 1.833 1.00 0.00 N ATOM 127 CA ALA A 8 -0.071 19.356 2.821 1.00 0.00 C ATOM 128 C ALA A 8 0.454 18.071 2.161 1.00 0.00 C ATOM 129 O ALA A 8 0.049 17.746 1.062 1.00 0.00 O ATOM 130 CB ALA A 8 -1.534 19.180 3.233 1.00 0.00 C ATOM 0 H ALA A 8 -0.873 20.478 1.191 1.00 0.00 H new ATOM 0 HA ALA A 8 0.574 19.565 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.612 18.372 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.901 20.105 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.133 18.937 2.355 1.00 0.00 H new ATOM 136 N PRO A 9 1.337 17.368 2.842 1.00 0.00 N ATOM 137 CA PRO A 9 1.886 16.112 2.272 1.00 0.00 C ATOM 138 C PRO A 9 0.822 15.010 2.310 1.00 0.00 C ATOM 139 O PRO A 9 0.954 14.043 3.033 1.00 0.00 O ATOM 140 CB PRO A 9 3.056 15.774 3.194 1.00 0.00 C ATOM 141 CG PRO A 9 2.727 16.436 4.494 1.00 0.00 C ATOM 142 CD PRO A 9 1.903 17.655 4.172 1.00 0.00 C ATOM 0 HA PRO A 9 2.193 16.209 1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.164 14.696 3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.998 16.145 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.174 15.757 5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.637 16.715 5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.119 17.813 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.515 18.557 4.158 1.00 0.00 H new ATOM 150 N LYS A 10 -0.209 15.141 1.498 1.00 0.00 N ATOM 151 CA LYS A 10 -1.305 14.112 1.418 1.00 0.00 C ATOM 152 C LYS A 10 -1.633 13.465 2.777 1.00 0.00 C ATOM 153 O LYS A 10 -1.376 14.029 3.824 1.00 0.00 O ATOM 154 CB LYS A 10 -0.760 13.074 0.434 1.00 0.00 C ATOM 155 CG LYS A 10 -1.645 13.026 -0.810 1.00 0.00 C ATOM 156 CD LYS A 10 -1.602 14.376 -1.532 1.00 0.00 C ATOM 157 CE LYS A 10 -1.890 14.171 -3.021 1.00 0.00 C ATOM 158 NZ LYS A 10 -0.554 13.953 -3.644 1.00 0.00 N ATOM 0 H LYS A 10 -0.338 15.937 0.873 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.247 14.560 1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.263 13.326 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.728 12.093 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.305 12.235 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.670 12.787 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.337 15.055 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.624 14.839 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.545 13.315 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.389 15.040 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.668 13.805 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.046 14.787 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.106 13.115 -3.221 1.00 0.00 H new ATOM 172 N ARG A 11 -2.193 12.281 2.755 1.00 0.00 N ATOM 173 CA ARG A 11 -2.531 11.580 4.030 1.00 0.00 C ATOM 174 C ARG A 11 -1.571 10.398 4.235 1.00 0.00 C ATOM 175 O ARG A 11 -1.043 9.872 3.275 1.00 0.00 O ATOM 176 CB ARG A 11 -3.966 11.083 3.846 1.00 0.00 C ATOM 177 CG ARG A 11 -4.941 12.221 4.151 1.00 0.00 C ATOM 178 CD ARG A 11 -5.057 13.138 2.932 1.00 0.00 C ATOM 179 NE ARG A 11 -6.476 13.587 2.922 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.095 13.772 1.788 1.00 0.00 C ATOM 181 NH1 ARG A 11 -6.764 14.775 1.022 1.00 0.00 N ATOM 182 NH2 ARG A 11 -8.044 12.956 1.423 1.00 0.00 N ATOM 0 H ARG A 11 -2.431 11.769 1.906 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.441 12.228 4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.112 10.728 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.158 10.238 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.920 11.816 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.594 12.789 5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.375 13.985 3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.804 12.608 2.014 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.965 13.750 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.022 15.413 1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.247 14.921 0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.303 12.173 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.528 13.100 0.537 1.00 0.00 H new ATOM 196 N PRO A 12 -1.362 10.013 5.476 1.00 0.00 N ATOM 197 CA PRO A 12 -0.443 8.885 5.764 1.00 0.00 C ATOM 198 C PRO A 12 -1.084 7.541 5.365 1.00 0.00 C ATOM 199 O PRO A 12 -2.061 7.133 5.961 1.00 0.00 O ATOM 200 CB PRO A 12 -0.241 8.957 7.273 1.00 0.00 C ATOM 201 CG PRO A 12 -1.451 9.655 7.794 1.00 0.00 C ATOM 202 CD PRO A 12 -1.945 10.572 6.705 1.00 0.00 C ATOM 0 HA PRO A 12 0.492 8.951 5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.143 7.961 7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.668 9.504 7.523 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.222 8.935 8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.210 10.222 8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.034 10.587 6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.619 11.599 6.870 1.00 0.00 H new ATOM 210 N PRO A 13 -0.515 6.887 4.372 1.00 0.00 N ATOM 211 CA PRO A 13 -1.057 5.587 3.921 1.00 0.00 C ATOM 212 C PRO A 13 -0.530 4.459 4.812 1.00 0.00 C ATOM 213 O PRO A 13 0.319 4.677 5.657 1.00 0.00 O ATOM 214 CB PRO A 13 -0.518 5.446 2.502 1.00 0.00 C ATOM 215 CG PRO A 13 0.727 6.281 2.458 1.00 0.00 C ATOM 216 CD PRO A 13 0.660 7.284 3.584 1.00 0.00 C ATOM 0 HA PRO A 13 -2.145 5.536 3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.300 4.404 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.248 5.791 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.611 5.652 2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.809 6.791 1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.567 7.262 4.188 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.556 8.300 3.203 1.00 0.00 H new ATOM 224 N SER A 14 -1.023 3.259 4.631 1.00 0.00 N ATOM 225 CA SER A 14 -0.547 2.118 5.470 1.00 0.00 C ATOM 226 C SER A 14 -0.977 0.780 4.856 1.00 0.00 C ATOM 227 O SER A 14 -1.740 0.034 5.441 1.00 0.00 O ATOM 228 CB SER A 14 -1.213 2.327 6.830 1.00 0.00 C ATOM 229 OG SER A 14 -0.799 1.297 7.718 1.00 0.00 O ATOM 0 H SER A 14 -1.734 3.021 3.939 1.00 0.00 H new ATOM 0 HA SER A 14 0.540 2.089 5.546 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.942 3.302 7.234 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.298 2.316 6.722 1.00 0.00 H new ATOM 0 HG SER A 14 -1.055 0.425 7.350 1.00 0.00 H new ATOM 235 N ALA A 15 -0.497 0.469 3.673 1.00 0.00 N ATOM 236 CA ALA A 15 -0.866 -0.819 2.990 1.00 0.00 C ATOM 237 C ALA A 15 -2.349 -0.818 2.618 1.00 0.00 C ATOM 238 O ALA A 15 -2.698 -0.627 1.469 1.00 0.00 O ATOM 239 CB ALA A 15 -0.538 -1.958 3.971 1.00 0.00 C ATOM 0 H ALA A 15 0.144 1.060 3.143 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.307 -0.947 2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.791 -2.915 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.526 -1.939 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.116 -1.828 4.886 1.00 0.00 H new ATOM 245 N PHE A 16 -3.227 -1.043 3.570 1.00 0.00 N ATOM 246 CA PHE A 16 -4.701 -1.068 3.267 1.00 0.00 C ATOM 247 C PHE A 16 -5.119 0.141 2.422 1.00 0.00 C ATOM 248 O PHE A 16 -5.785 0.001 1.413 1.00 0.00 O ATOM 249 CB PHE A 16 -5.381 -1.007 4.634 1.00 0.00 C ATOM 250 CG PHE A 16 -6.809 -1.479 4.507 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.084 -2.742 3.969 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.859 -0.653 4.926 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.409 -3.179 3.850 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.184 -1.090 4.806 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.458 -2.353 4.268 1.00 0.00 C ATOM 0 H PHE A 16 -2.987 -1.211 4.547 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.976 -1.955 2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.843 -1.630 5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.357 0.012 5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.274 -3.379 3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.647 0.321 5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.621 -4.154 3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.994 -0.453 5.128 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.480 -2.690 4.176 1.00 0.00 H new ATOM 265 N PHE A 17 -4.729 1.322 2.828 1.00 0.00 N ATOM 266 CA PHE A 17 -5.095 2.545 2.050 1.00 0.00 C ATOM 267 C PHE A 17 -4.549 2.439 0.622 1.00 0.00 C ATOM 268 O PHE A 17 -5.170 2.888 -0.323 1.00 0.00 O ATOM 269 CB PHE A 17 -4.435 3.709 2.790 1.00 0.00 C ATOM 270 CG PHE A 17 -5.080 5.008 2.367 1.00 0.00 C ATOM 271 CD1 PHE A 17 -4.688 5.627 1.176 1.00 0.00 C ATOM 272 CD2 PHE A 17 -6.069 5.591 3.168 1.00 0.00 C ATOM 273 CE1 PHE A 17 -5.286 6.832 0.783 1.00 0.00 C ATOM 274 CE2 PHE A 17 -6.667 6.794 2.775 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.276 7.415 1.583 1.00 0.00 C ATOM 0 H PHE A 17 -4.172 1.493 3.665 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.174 2.677 1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.538 3.574 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.367 3.733 2.572 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.925 5.177 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.370 5.113 4.088 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.983 7.311 -0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.431 7.244 3.392 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.738 8.343 1.281 1.00 0.00 H new ATOM 285 N LEU A 18 -3.389 1.853 0.465 1.00 0.00 N ATOM 286 CA LEU A 18 -2.787 1.720 -0.899 1.00 0.00 C ATOM 287 C LEU A 18 -3.517 0.639 -1.699 1.00 0.00 C ATOM 288 O LEU A 18 -3.634 0.725 -2.907 1.00 0.00 O ATOM 289 CB LEU A 18 -1.319 1.300 -0.681 1.00 0.00 C ATOM 290 CG LEU A 18 -0.612 2.202 0.351 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.875 1.848 0.390 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.765 3.679 -0.040 1.00 0.00 C ATOM 0 H LEU A 18 -2.831 1.460 1.223 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.863 2.654 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.284 0.264 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.784 1.344 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.064 2.043 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.381 2.482 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.993 0.803 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.313 2.006 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.261 4.305 0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.319 3.844 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.823 3.939 -0.074 1.00 0.00 H new ATOM 304 N PHE A 19 -3.999 -0.382 -1.036 1.00 0.00 N ATOM 305 CA PHE A 19 -4.712 -1.483 -1.756 1.00 0.00 C ATOM 306 C PHE A 19 -6.153 -1.075 -2.075 1.00 0.00 C ATOM 307 O PHE A 19 -6.580 -1.119 -3.212 1.00 0.00 O ATOM 308 CB PHE A 19 -4.694 -2.667 -0.787 1.00 0.00 C ATOM 309 CG PHE A 19 -5.270 -3.885 -1.468 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.455 -4.685 -2.278 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.620 -4.215 -1.290 1.00 0.00 C ATOM 312 CE1 PHE A 19 -4.988 -5.816 -2.909 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.153 -5.345 -1.921 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.337 -6.145 -2.731 1.00 0.00 C ATOM 0 H PHE A 19 -3.930 -0.501 -0.025 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.237 -1.723 -2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.673 -2.868 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.273 -2.429 0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.415 -4.430 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.249 -3.598 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.359 -6.434 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.193 -5.600 -1.783 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.749 -7.016 -3.219 1.00 0.00 H new ATOM 324 N CYS A 20 -6.905 -0.688 -1.076 1.00 0.00 N ATOM 325 CA CYS A 20 -8.328 -0.283 -1.312 1.00 0.00 C ATOM 326 C CYS A 20 -8.404 0.858 -2.332 1.00 0.00 C ATOM 327 O CYS A 20 -9.094 0.764 -3.329 1.00 0.00 O ATOM 328 CB CYS A 20 -8.846 0.185 0.050 1.00 0.00 C ATOM 329 SG CYS A 20 -10.655 0.156 0.049 1.00 0.00 S ATOM 0 H CYS A 20 -6.596 -0.634 -0.105 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.920 -1.105 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.462 -0.461 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.488 1.193 0.261 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.096 0.551 1.206 1.00 0.00 H new ATOM 335 N SER A 21 -7.700 1.934 -2.088 1.00 0.00 N ATOM 336 CA SER A 21 -7.728 3.093 -3.039 1.00 0.00 C ATOM 337 C SER A 21 -7.336 2.651 -4.456 1.00 0.00 C ATOM 338 O SER A 21 -7.666 3.306 -5.427 1.00 0.00 O ATOM 339 CB SER A 21 -6.703 4.086 -2.491 1.00 0.00 C ATOM 340 OG SER A 21 -6.765 5.288 -3.248 1.00 0.00 O ATOM 0 H SER A 21 -7.105 2.063 -1.270 1.00 0.00 H new ATOM 0 HA SER A 21 -8.725 3.527 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.905 4.293 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.701 3.660 -2.545 1.00 0.00 H new ATOM 0 HG SER A 21 -6.110 5.928 -2.899 1.00 0.00 H new ATOM 346 N GLU A 22 -6.628 1.555 -4.580 1.00 0.00 N ATOM 347 CA GLU A 22 -6.208 1.081 -5.933 1.00 0.00 C ATOM 348 C GLU A 22 -7.111 -0.057 -6.419 1.00 0.00 C ATOM 349 O GLU A 22 -7.242 -0.284 -7.607 1.00 0.00 O ATOM 350 CB GLU A 22 -4.779 0.581 -5.748 1.00 0.00 C ATOM 351 CG GLU A 22 -3.805 1.757 -5.845 1.00 0.00 C ATOM 352 CD GLU A 22 -3.827 2.325 -7.265 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.462 1.602 -8.177 1.00 0.00 O ATOM 354 OE2 GLU A 22 -4.210 3.473 -7.416 1.00 0.00 O ATOM 0 H GLU A 22 -6.324 0.969 -3.802 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.278 1.873 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.677 0.091 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.543 -0.163 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.081 2.531 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.797 1.430 -5.589 1.00 0.00 H new ATOM 361 N TYR A 23 -7.723 -0.781 -5.514 1.00 0.00 N ATOM 362 CA TYR A 23 -8.606 -1.914 -5.931 1.00 0.00 C ATOM 363 C TYR A 23 -10.082 -1.492 -5.973 1.00 0.00 C ATOM 364 O TYR A 23 -10.959 -2.326 -6.078 1.00 0.00 O ATOM 365 CB TYR A 23 -8.389 -2.990 -4.865 1.00 0.00 C ATOM 366 CG TYR A 23 -7.200 -3.840 -5.245 1.00 0.00 C ATOM 367 CD1 TYR A 23 -5.915 -3.284 -5.250 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.382 -5.185 -5.590 1.00 0.00 C ATOM 369 CE1 TYR A 23 -4.813 -4.072 -5.602 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.280 -5.972 -5.942 1.00 0.00 C ATOM 371 CZ TYR A 23 -4.995 -5.416 -5.947 1.00 0.00 C ATOM 372 OH TYR A 23 -3.908 -6.193 -6.295 1.00 0.00 O ATOM 0 H TYR A 23 -7.649 -0.637 -4.507 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.364 -2.262 -6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.222 -2.526 -3.893 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.280 -3.611 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.774 -2.247 -4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.373 -5.615 -5.584 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.822 -3.643 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.421 -7.009 -6.210 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.209 -7.102 -6.505 1.00 0.00 H new ATOM 382 N ARG A 24 -10.365 -0.212 -5.902 1.00 0.00 N ATOM 383 CA ARG A 24 -11.780 0.248 -5.949 1.00 0.00 C ATOM 384 C ARG A 24 -12.277 0.454 -7.394 1.00 0.00 C ATOM 385 O ARG A 24 -13.372 0.033 -7.697 1.00 0.00 O ATOM 386 CB ARG A 24 -11.812 1.566 -5.191 1.00 0.00 C ATOM 387 CG ARG A 24 -11.924 1.291 -3.690 1.00 0.00 C ATOM 388 CD ARG A 24 -11.464 2.525 -2.908 1.00 0.00 C ATOM 389 NE ARG A 24 -12.149 2.431 -1.585 1.00 0.00 N ATOM 390 CZ ARG A 24 -11.927 3.337 -0.672 1.00 0.00 C ATOM 391 NH1 ARG A 24 -10.702 3.645 -0.343 1.00 0.00 N ATOM 392 NH2 ARG A 24 -12.930 3.933 -0.087 1.00 0.00 N ATOM 0 H ARG A 24 -9.672 0.531 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.438 -0.501 -5.508 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.909 2.139 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.657 2.169 -5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.954 1.046 -3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.314 0.429 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.380 2.534 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.736 3.444 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.789 1.660 -1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.919 3.178 -0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.528 4.353 0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.887 3.691 -0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.757 4.641 0.627 1.00 0.00 H new ATOM 406 N PRO A 25 -11.486 1.095 -8.252 1.00 0.00 N ATOM 407 CA PRO A 25 -11.945 1.325 -9.651 1.00 0.00 C ATOM 408 C PRO A 25 -12.063 -0.005 -10.402 1.00 0.00 C ATOM 409 O PRO A 25 -12.713 -0.087 -11.428 1.00 0.00 O ATOM 410 CB PRO A 25 -10.873 2.232 -10.249 1.00 0.00 C ATOM 411 CG PRO A 25 -9.657 1.992 -9.426 1.00 0.00 C ATOM 412 CD PRO A 25 -10.128 1.633 -8.039 1.00 0.00 C ATOM 0 HA PRO A 25 -12.934 1.779 -9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.693 1.992 -11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.175 3.278 -10.209 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.057 1.187 -9.850 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.026 2.881 -9.401 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.475 0.895 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.142 2.504 -7.384 1.00 0.00 H new ATOM 420 N LYS A 26 -11.476 -1.054 -9.878 1.00 0.00 N ATOM 421 CA LYS A 26 -11.593 -2.386 -10.536 1.00 0.00 C ATOM 422 C LYS A 26 -13.010 -2.909 -10.313 1.00 0.00 C ATOM 423 O LYS A 26 -13.693 -3.317 -11.232 1.00 0.00 O ATOM 424 CB LYS A 26 -10.589 -3.277 -9.812 1.00 0.00 C ATOM 425 CG LYS A 26 -10.420 -4.591 -10.578 1.00 0.00 C ATOM 426 CD LYS A 26 -11.528 -5.564 -10.174 1.00 0.00 C ATOM 427 CE LYS A 26 -11.108 -6.992 -10.530 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.372 -7.780 -10.513 1.00 0.00 N ATOM 0 H LYS A 26 -10.921 -1.042 -9.022 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.400 -2.353 -11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.629 -2.767 -9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.932 -3.478 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.458 -4.406 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.444 -5.026 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.722 -5.487 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.456 -5.308 -10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.632 -7.031 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.389 -7.383 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.166 -8.772 -10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.799 -7.730 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.034 -7.389 -11.213 1.00 0.00 H new ATOM 442 N ILE A 27 -13.451 -2.886 -9.080 1.00 0.00 N ATOM 443 CA ILE A 27 -14.828 -3.366 -8.745 1.00 0.00 C ATOM 444 C ILE A 27 -15.865 -2.635 -9.595 1.00 0.00 C ATOM 445 O ILE A 27 -16.908 -3.166 -9.914 1.00 0.00 O ATOM 446 CB ILE A 27 -15.063 -2.976 -7.269 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.956 -3.512 -6.341 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.411 -3.531 -6.809 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.715 -5.000 -6.581 1.00 0.00 C ATOM 0 H ILE A 27 -12.910 -2.552 -8.283 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.919 -4.437 -8.923 1.00 0.00 H new ATOM 0 HB ILE A 27 -15.050 -1.888 -7.210 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -13.033 -2.958 -6.512 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.238 -3.349 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.581 -3.258 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.206 -3.115 -7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.409 -4.617 -6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.929 -5.354 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.633 -5.554 -6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.410 -5.157 -7.616 1.00 0.00 H new ATOM 461 N LYS A 28 -15.595 -1.402 -9.908 1.00 0.00 N ATOM 462 CA LYS A 28 -16.582 -0.588 -10.684 1.00 0.00 C ATOM 463 C LYS A 28 -16.634 -1.062 -12.140 1.00 0.00 C ATOM 464 O LYS A 28 -17.684 -1.074 -12.756 1.00 0.00 O ATOM 465 CB LYS A 28 -16.136 0.900 -10.626 1.00 0.00 C ATOM 466 CG LYS A 28 -15.401 1.288 -9.323 1.00 0.00 C ATOM 467 CD LYS A 28 -16.110 0.766 -8.063 1.00 0.00 C ATOM 468 CE LYS A 28 -17.552 1.281 -8.024 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.437 2.711 -7.622 1.00 0.00 N ATOM 0 H LYS A 28 -14.732 -0.916 -9.662 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.577 -0.701 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.483 1.106 -11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.014 1.536 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.385 0.894 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.320 2.373 -9.266 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.104 -0.324 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.574 1.093 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.034 1.181 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.154 0.717 -7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.984 2.872 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.438 2.944 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.809 3.316 -8.382 1.00 0.00 H new ATOM 483 N SER A 29 -15.512 -1.447 -12.692 1.00 0.00 N ATOM 484 CA SER A 29 -15.494 -1.917 -14.114 1.00 0.00 C ATOM 485 C SER A 29 -16.405 -3.137 -14.292 1.00 0.00 C ATOM 486 O SER A 29 -16.899 -3.397 -15.373 1.00 0.00 O ATOM 487 CB SER A 29 -14.039 -2.293 -14.395 1.00 0.00 C ATOM 488 OG SER A 29 -13.867 -2.492 -15.793 1.00 0.00 O ATOM 0 H SER A 29 -14.607 -1.457 -12.222 1.00 0.00 H new ATOM 0 HA SER A 29 -15.858 -1.150 -14.798 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.373 -1.505 -14.043 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.774 -3.200 -13.852 1.00 0.00 H new ATOM 0 HG SER A 29 -12.935 -2.732 -15.977 1.00 0.00 H new ATOM 494 N GLU A 30 -16.624 -3.886 -13.241 1.00 0.00 N ATOM 495 CA GLU A 30 -17.496 -5.096 -13.345 1.00 0.00 C ATOM 496 C GLU A 30 -18.758 -4.932 -12.489 1.00 0.00 C ATOM 497 O GLU A 30 -19.764 -5.572 -12.733 1.00 0.00 O ATOM 498 CB GLU A 30 -16.634 -6.245 -12.816 1.00 0.00 C ATOM 499 CG GLU A 30 -16.085 -7.063 -13.987 1.00 0.00 C ATOM 500 CD GLU A 30 -17.176 -7.995 -14.515 1.00 0.00 C ATOM 501 OE1 GLU A 30 -17.457 -8.981 -13.852 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.713 -7.710 -15.573 1.00 0.00 O ATOM 0 H GLU A 30 -16.236 -3.712 -12.314 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.835 -5.270 -14.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.812 -5.850 -12.219 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.226 -6.884 -12.160 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.745 -6.398 -14.781 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.221 -7.644 -13.665 1.00 0.00 H new ATOM 509 N HIS A 31 -18.713 -4.082 -11.495 1.00 0.00 N ATOM 510 CA HIS A 31 -19.913 -3.877 -10.625 1.00 0.00 C ATOM 511 C HIS A 31 -20.335 -2.401 -10.669 1.00 0.00 C ATOM 512 O HIS A 31 -19.793 -1.588 -9.946 1.00 0.00 O ATOM 513 CB HIS A 31 -19.487 -4.265 -9.200 1.00 0.00 C ATOM 514 CG HIS A 31 -18.820 -5.617 -9.193 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.443 -5.756 -9.227 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.326 -6.893 -9.160 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.168 -7.073 -9.212 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.280 -7.811 -9.172 1.00 0.00 N ATOM 0 H HIS A 31 -17.898 -3.521 -11.247 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.759 -4.478 -10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.804 -3.515 -8.802 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.359 -4.281 -8.546 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.761 -4.998 -9.258 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.376 -7.146 -9.129 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.169 -7.483 -9.230 1.00 0.00 H new ATOM 526 N PRO A 32 -21.289 -2.091 -11.519 1.00 0.00 N ATOM 527 CA PRO A 32 -21.761 -0.691 -11.637 1.00 0.00 C ATOM 528 C PRO A 32 -22.640 -0.325 -10.444 1.00 0.00 C ATOM 529 O PRO A 32 -22.681 0.813 -10.014 1.00 0.00 O ATOM 530 CB PRO A 32 -22.569 -0.690 -12.930 1.00 0.00 C ATOM 531 CG PRO A 32 -23.011 -2.105 -13.127 1.00 0.00 C ATOM 532 CD PRO A 32 -22.011 -2.992 -12.432 1.00 0.00 C ATOM 0 HA PRO A 32 -20.949 0.036 -11.651 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.424 -0.018 -12.858 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -21.965 -0.347 -13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.009 -2.256 -12.715 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.065 -2.346 -14.189 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.505 -3.796 -11.887 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.333 -3.460 -13.145 1.00 0.00 H new ATOM 540 N GLY A 33 -23.342 -1.286 -9.908 1.00 0.00 N ATOM 541 CA GLY A 33 -24.225 -1.016 -8.740 1.00 0.00 C ATOM 542 C GLY A 33 -23.400 -0.982 -7.445 1.00 0.00 C ATOM 543 O GLY A 33 -23.865 -0.508 -6.429 1.00 0.00 O ATOM 0 H GLY A 33 -23.341 -2.253 -10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.739 -0.065 -8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.993 -1.787 -8.670 1.00 0.00 H new ATOM 547 N LEU A 34 -22.190 -1.496 -7.470 1.00 0.00 N ATOM 548 CA LEU A 34 -21.333 -1.509 -6.234 1.00 0.00 C ATOM 549 C LEU A 34 -21.093 -0.084 -5.708 1.00 0.00 C ATOM 550 O LEU A 34 -20.075 0.523 -5.980 1.00 0.00 O ATOM 551 CB LEU A 34 -20.001 -2.148 -6.676 1.00 0.00 C ATOM 552 CG LEU A 34 -19.765 -3.480 -5.940 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.574 -3.212 -4.448 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.960 -4.424 -6.148 1.00 0.00 C ATOM 0 H LEU A 34 -21.756 -1.909 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.809 -2.060 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -20.014 -2.319 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.178 -1.463 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.870 -3.953 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.407 -4.155 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.713 -2.560 -4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.466 -2.730 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.779 -5.361 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.864 -3.958 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.085 -4.623 -7.212 1.00 0.00 H new ATOM 566 N SER A 35 -22.026 0.447 -4.959 1.00 0.00 N ATOM 567 CA SER A 35 -21.860 1.829 -4.409 1.00 0.00 C ATOM 568 C SER A 35 -20.761 1.832 -3.345 1.00 0.00 C ATOM 569 O SER A 35 -20.265 0.791 -2.958 1.00 0.00 O ATOM 570 CB SER A 35 -23.212 2.181 -3.787 1.00 0.00 C ATOM 571 OG SER A 35 -24.199 2.233 -4.809 1.00 0.00 O ATOM 0 H SER A 35 -22.898 -0.017 -4.704 1.00 0.00 H new ATOM 0 HA SER A 35 -21.572 2.549 -5.175 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.486 1.437 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.151 3.141 -3.275 1.00 0.00 H new ATOM 0 HG SER A 35 -25.067 2.457 -4.414 1.00 0.00 H new ATOM 577 N ILE A 36 -20.376 2.991 -2.863 1.00 0.00 N ATOM 578 CA ILE A 36 -19.303 3.053 -1.815 1.00 0.00 C ATOM 579 C ILE A 36 -19.706 2.191 -0.608 1.00 0.00 C ATOM 580 O ILE A 36 -18.862 1.669 0.099 1.00 0.00 O ATOM 581 CB ILE A 36 -19.179 4.544 -1.438 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.422 5.280 -2.548 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.395 4.699 -0.125 1.00 0.00 C ATOM 584 CD1 ILE A 36 -19.411 5.818 -3.583 1.00 0.00 C ATOM 0 H ILE A 36 -20.756 3.894 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.348 2.665 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.179 4.961 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.844 6.101 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.713 4.604 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.315 5.756 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.916 4.172 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.397 4.279 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.866 6.340 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.970 4.989 -4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -20.103 6.509 -3.101 1.00 0.00 H new ATOM 596 N GLY A 37 -20.985 2.038 -0.374 1.00 0.00 N ATOM 597 CA GLY A 37 -21.444 1.209 0.778 1.00 0.00 C ATOM 598 C GLY A 37 -20.942 -0.224 0.599 1.00 0.00 C ATOM 599 O GLY A 37 -20.127 -0.702 1.363 1.00 0.00 O ATOM 0 H GLY A 37 -21.731 2.453 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.068 1.624 1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.532 1.221 0.839 1.00 0.00 H new ATOM 603 N ASP A 38 -21.413 -0.904 -0.414 1.00 0.00 N ATOM 604 CA ASP A 38 -20.961 -2.307 -0.655 1.00 0.00 C ATOM 605 C ASP A 38 -19.502 -2.327 -1.122 1.00 0.00 C ATOM 606 O ASP A 38 -18.771 -3.254 -0.844 1.00 0.00 O ATOM 607 CB ASP A 38 -21.881 -2.843 -1.754 1.00 0.00 C ATOM 608 CG ASP A 38 -21.838 -4.373 -1.755 1.00 0.00 C ATOM 609 OD1 ASP A 38 -20.752 -4.915 -1.865 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.894 -4.975 -1.646 1.00 0.00 O ATOM 0 H ASP A 38 -22.092 -0.548 -1.086 1.00 0.00 H new ATOM 0 HA ASP A 38 -21.012 -2.912 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.902 -2.497 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.567 -2.459 -2.725 1.00 0.00 H new ATOM 615 N THR A 39 -19.073 -1.301 -1.814 1.00 0.00 N ATOM 616 CA THR A 39 -17.654 -1.256 -2.294 1.00 0.00 C ATOM 617 C THR A 39 -16.698 -1.210 -1.097 1.00 0.00 C ATOM 618 O THR A 39 -15.588 -1.706 -1.163 1.00 0.00 O ATOM 619 CB THR A 39 -17.556 0.024 -3.135 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.382 -0.107 -4.281 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.110 0.261 -3.583 1.00 0.00 C ATOM 0 H THR A 39 -19.642 -0.493 -2.068 1.00 0.00 H new ATOM 0 HA THR A 39 -17.381 -2.135 -2.877 1.00 0.00 H new ATOM 0 HB THR A 39 -17.882 0.870 -2.530 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.321 -0.006 -4.020 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.058 1.173 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.470 0.363 -2.707 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.772 -0.584 -4.183 1.00 0.00 H new ATOM 629 N ALA A 40 -17.121 -0.622 -0.009 1.00 0.00 N ATOM 630 CA ALA A 40 -16.240 -0.544 1.194 1.00 0.00 C ATOM 631 C ALA A 40 -16.190 -1.902 1.899 1.00 0.00 C ATOM 632 O ALA A 40 -15.140 -2.351 2.319 1.00 0.00 O ATOM 633 CB ALA A 40 -16.886 0.507 2.098 1.00 0.00 C ATOM 0 H ALA A 40 -18.040 -0.192 0.099 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.214 -0.280 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.293 0.620 3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.931 1.461 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.895 0.190 2.361 1.00 0.00 H new ATOM 639 N LYS A 41 -17.318 -2.550 2.039 1.00 0.00 N ATOM 640 CA LYS A 41 -17.343 -3.878 2.728 1.00 0.00 C ATOM 641 C LYS A 41 -17.076 -5.034 1.746 1.00 0.00 C ATOM 642 O LYS A 41 -16.873 -6.160 2.162 1.00 0.00 O ATOM 643 CB LYS A 41 -18.742 -3.990 3.357 1.00 0.00 C ATOM 644 CG LYS A 41 -19.820 -4.089 2.271 1.00 0.00 C ATOM 645 CD LYS A 41 -21.190 -3.778 2.881 1.00 0.00 C ATOM 646 CE LYS A 41 -21.267 -2.295 3.265 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.834 -2.281 4.643 1.00 0.00 N ATOM 0 H LYS A 41 -18.223 -2.218 1.706 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.557 -3.948 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.787 -4.868 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.933 -3.122 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.603 -3.390 1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.822 -5.088 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.978 -4.019 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -21.355 -4.399 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.282 -1.829 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.900 -1.741 2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.917 -1.299 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.775 -2.724 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -21.207 -2.810 5.282 1.00 0.00 H new ATOM 661 N LYS A 42 -17.065 -4.775 0.457 1.00 0.00 N ATOM 662 CA LYS A 42 -16.799 -5.874 -0.525 1.00 0.00 C ATOM 663 C LYS A 42 -15.291 -6.132 -0.615 1.00 0.00 C ATOM 664 O LYS A 42 -14.822 -7.216 -0.329 1.00 0.00 O ATOM 665 CB LYS A 42 -17.351 -5.360 -1.863 1.00 0.00 C ATOM 666 CG LYS A 42 -17.085 -6.382 -2.975 1.00 0.00 C ATOM 667 CD LYS A 42 -17.827 -7.695 -2.670 1.00 0.00 C ATOM 668 CE LYS A 42 -18.814 -8.009 -3.799 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.145 -9.060 -4.615 1.00 0.00 N ATOM 0 H LYS A 42 -17.228 -3.856 0.046 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.267 -6.816 -0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.422 -5.177 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.884 -4.408 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.415 -5.983 -3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.015 -6.570 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.112 -8.511 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.359 -7.611 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.766 -8.363 -3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.026 -7.122 -4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.761 -9.327 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.245 -8.693 -4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.962 -9.895 -4.023 1.00 0.00 H new ATOM 683 N LEU A 43 -14.531 -5.140 -1.018 1.00 0.00 N ATOM 684 CA LEU A 43 -13.044 -5.311 -1.140 1.00 0.00 C ATOM 685 C LEU A 43 -12.446 -5.936 0.130 1.00 0.00 C ATOM 686 O LEU A 43 -11.410 -6.572 0.087 1.00 0.00 O ATOM 687 CB LEU A 43 -12.496 -3.896 -1.341 1.00 0.00 C ATOM 688 CG LEU A 43 -12.805 -3.424 -2.762 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.786 -1.896 -2.809 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.750 -3.976 -3.722 1.00 0.00 C ATOM 0 H LEU A 43 -14.877 -4.214 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.787 -5.979 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.942 -3.216 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.420 -3.884 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.791 -3.784 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.006 -1.560 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.537 -1.502 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.801 -1.535 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.969 -3.640 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.765 -3.616 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.763 -5.065 -3.690 1.00 0.00 H new ATOM 702 N GLY A 44 -13.095 -5.762 1.254 1.00 0.00 N ATOM 703 CA GLY A 44 -12.572 -6.347 2.524 1.00 0.00 C ATOM 704 C GLY A 44 -12.630 -7.874 2.441 1.00 0.00 C ATOM 705 O GLY A 44 -11.761 -8.565 2.936 1.00 0.00 O ATOM 0 H GLY A 44 -13.966 -5.239 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.546 -6.020 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.162 -5.995 3.370 1.00 0.00 H new ATOM 709 N GLU A 45 -13.657 -8.405 1.820 1.00 0.00 N ATOM 710 CA GLU A 45 -13.794 -9.894 1.699 1.00 0.00 C ATOM 711 C GLU A 45 -12.514 -10.520 1.128 1.00 0.00 C ATOM 712 O GLU A 45 -12.135 -11.616 1.492 1.00 0.00 O ATOM 713 CB GLU A 45 -14.965 -10.110 0.738 1.00 0.00 C ATOM 714 CG GLU A 45 -15.498 -11.536 0.891 1.00 0.00 C ATOM 715 CD GLU A 45 -16.408 -11.871 -0.292 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.559 -11.469 -0.263 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.936 -12.524 -1.210 1.00 0.00 O ATOM 0 H GLU A 45 -14.410 -7.869 1.389 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.963 -10.362 2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.757 -9.391 0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.642 -9.940 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.669 -12.242 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.050 -11.631 1.826 1.00 0.00 H new ATOM 724 N MET A 46 -11.849 -9.827 0.238 1.00 0.00 N ATOM 725 CA MET A 46 -10.593 -10.373 -0.357 1.00 0.00 C ATOM 726 C MET A 46 -9.402 -10.052 0.549 1.00 0.00 C ATOM 727 O MET A 46 -8.541 -10.880 0.777 1.00 0.00 O ATOM 728 CB MET A 46 -10.446 -9.663 -1.703 1.00 0.00 C ATOM 729 CG MET A 46 -11.642 -10.003 -2.595 1.00 0.00 C ATOM 730 SD MET A 46 -11.256 -9.572 -4.310 1.00 0.00 S ATOM 731 CE MET A 46 -11.888 -11.085 -5.073 1.00 0.00 C ATOM 0 H MET A 46 -12.123 -8.905 -0.102 1.00 0.00 H new ATOM 0 HA MET A 46 -10.628 -11.456 -0.472 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.386 -8.585 -1.553 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.519 -9.969 -2.188 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.876 -11.065 -2.519 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.525 -9.458 -2.261 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.749 -11.034 -6.153 1.00 0.00 H new ATOM 0 HE2 MET A 46 -11.347 -11.945 -4.678 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.950 -11.190 -4.849 1.00 0.00 H new ATOM 741 N TRP A 47 -9.345 -8.845 1.059 1.00 0.00 N ATOM 742 CA TRP A 47 -8.206 -8.444 1.949 1.00 0.00 C ATOM 743 C TRP A 47 -8.000 -9.462 3.078 1.00 0.00 C ATOM 744 O TRP A 47 -6.882 -9.742 3.468 1.00 0.00 O ATOM 745 CB TRP A 47 -8.603 -7.084 2.525 1.00 0.00 C ATOM 746 CG TRP A 47 -7.462 -6.530 3.316 1.00 0.00 C ATOM 747 CD1 TRP A 47 -7.486 -6.279 4.646 1.00 0.00 C ATOM 748 CD2 TRP A 47 -6.129 -6.162 2.855 1.00 0.00 C ATOM 749 NE1 TRP A 47 -6.254 -5.777 5.029 1.00 0.00 N ATOM 750 CE2 TRP A 47 -5.385 -5.686 3.959 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.502 -6.192 1.596 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -4.064 -5.257 3.821 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -4.174 -5.762 1.453 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.456 -5.295 2.563 1.00 0.00 C ATOM 0 H TRP A 47 -10.040 -8.117 0.897 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.267 -8.400 1.398 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.869 -6.399 1.720 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.484 -7.188 3.159 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.329 -6.443 5.301 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.017 -5.507 5.984 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.046 -6.548 0.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.516 -4.898 4.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.702 -5.791 0.482 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.434 -4.965 2.446 1.00 0.00 H new ATOM 765 N SER A 48 -9.066 -10.017 3.602 1.00 0.00 N ATOM 766 CA SER A 48 -8.926 -11.017 4.702 1.00 0.00 C ATOM 767 C SER A 48 -8.692 -12.413 4.118 1.00 0.00 C ATOM 768 O SER A 48 -8.074 -13.258 4.738 1.00 0.00 O ATOM 769 CB SER A 48 -10.255 -10.967 5.455 1.00 0.00 C ATOM 770 OG SER A 48 -10.096 -11.574 6.730 1.00 0.00 O ATOM 0 H SER A 48 -10.025 -9.820 3.315 1.00 0.00 H new ATOM 0 HA SER A 48 -8.081 -10.799 5.354 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.582 -9.934 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.028 -11.485 4.887 1.00 0.00 H new ATOM 0 HG SER A 48 -10.946 -11.542 7.216 1.00 0.00 H new ATOM 776 N GLU A 49 -9.181 -12.659 2.926 1.00 0.00 N ATOM 777 CA GLU A 49 -8.988 -14.002 2.292 1.00 0.00 C ATOM 778 C GLU A 49 -7.495 -14.313 2.162 1.00 0.00 C ATOM 779 O GLU A 49 -7.066 -15.433 2.370 1.00 0.00 O ATOM 780 CB GLU A 49 -9.635 -13.893 0.909 1.00 0.00 C ATOM 781 CG GLU A 49 -11.124 -14.230 1.014 1.00 0.00 C ATOM 782 CD GLU A 49 -11.304 -15.748 1.047 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.054 -16.377 0.032 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.689 -16.257 2.087 1.00 0.00 O ATOM 0 H GLU A 49 -9.705 -11.988 2.365 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.432 -14.803 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.506 -12.885 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.146 -14.573 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.546 -13.784 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.664 -13.808 0.166 1.00 0.00 H new ATOM 791 N GLN A 50 -6.702 -13.326 1.828 1.00 0.00 N ATOM 792 CA GLN A 50 -5.231 -13.554 1.693 1.00 0.00 C ATOM 793 C GLN A 50 -4.619 -13.817 3.073 1.00 0.00 C ATOM 794 O GLN A 50 -5.254 -13.600 4.088 1.00 0.00 O ATOM 795 CB GLN A 50 -4.673 -12.259 1.096 1.00 0.00 C ATOM 796 CG GLN A 50 -5.237 -12.055 -0.315 1.00 0.00 C ATOM 797 CD GLN A 50 -4.197 -12.483 -1.355 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.039 -11.839 -2.373 1.00 0.00 O ATOM 799 NE2 GLN A 50 -3.476 -13.549 -1.140 1.00 0.00 N ATOM 0 H GLN A 50 -7.010 -12.371 1.643 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.001 -14.416 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.937 -11.412 1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.584 -12.303 1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.150 -12.637 -0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.503 -11.008 -0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.608 -14.090 -0.286 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.780 -13.841 -1.826 1.00 0.00 H new ATOM 808 N SER A 51 -3.397 -14.284 3.115 1.00 0.00 N ATOM 809 CA SER A 51 -2.748 -14.563 4.432 1.00 0.00 C ATOM 810 C SER A 51 -1.243 -14.289 4.357 1.00 0.00 C ATOM 811 O SER A 51 -0.481 -15.088 3.849 1.00 0.00 O ATOM 812 CB SER A 51 -3.009 -16.045 4.696 1.00 0.00 C ATOM 813 OG SER A 51 -4.394 -16.314 4.523 1.00 0.00 O ATOM 0 H SER A 51 -2.822 -14.484 2.297 1.00 0.00 H new ATOM 0 HA SER A 51 -3.144 -13.929 5.226 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.419 -16.657 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.699 -16.306 5.708 1.00 0.00 H new ATOM 0 HG SER A 51 -4.566 -17.264 4.690 1.00 0.00 H new ATOM 819 N ALA A 52 -0.810 -13.160 4.867 1.00 0.00 N ATOM 820 CA ALA A 52 0.649 -12.812 4.843 1.00 0.00 C ATOM 821 C ALA A 52 1.224 -12.954 3.428 1.00 0.00 C ATOM 822 O ALA A 52 2.259 -13.562 3.229 1.00 0.00 O ATOM 823 CB ALA A 52 1.317 -13.808 5.795 1.00 0.00 C ATOM 0 H ALA A 52 -1.409 -12.459 5.302 1.00 0.00 H new ATOM 0 HA ALA A 52 0.820 -11.779 5.145 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.389 -13.615 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.896 -13.695 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.142 -14.824 5.440 1.00 0.00 H new ATOM 829 N LYS A 53 0.558 -12.397 2.449 1.00 0.00 N ATOM 830 CA LYS A 53 1.059 -12.493 1.046 1.00 0.00 C ATOM 831 C LYS A 53 0.815 -11.175 0.305 1.00 0.00 C ATOM 832 O LYS A 53 1.745 -10.490 -0.076 1.00 0.00 O ATOM 833 CB LYS A 53 0.252 -13.628 0.412 1.00 0.00 C ATOM 834 CG LYS A 53 1.138 -14.398 -0.569 1.00 0.00 C ATOM 835 CD LYS A 53 0.277 -15.367 -1.382 1.00 0.00 C ATOM 836 CE LYS A 53 1.180 -16.348 -2.131 1.00 0.00 C ATOM 837 NZ LYS A 53 1.550 -17.377 -1.120 1.00 0.00 N ATOM 0 H LYS A 53 -0.313 -11.879 2.562 1.00 0.00 H new ATOM 0 HA LYS A 53 2.131 -12.685 1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.121 -14.299 1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.618 -13.225 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.650 -13.704 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.908 -14.946 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.399 -15.910 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.342 -14.815 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.660 -16.796 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.064 -15.848 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.572 -17.562 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.308 -17.032 -0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.029 -18.256 -1.313 1.00 0.00 H new ATOM 851 N ASP A 54 -0.427 -10.821 0.094 1.00 0.00 N ATOM 852 CA ASP A 54 -0.737 -9.548 -0.630 1.00 0.00 C ATOM 853 C ASP A 54 -0.255 -8.337 0.173 1.00 0.00 C ATOM 854 O ASP A 54 0.004 -7.287 -0.381 1.00 0.00 O ATOM 855 CB ASP A 54 -2.261 -9.523 -0.768 1.00 0.00 C ATOM 856 CG ASP A 54 -2.662 -8.477 -1.811 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.714 -8.824 -2.979 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.911 -7.347 -1.423 1.00 0.00 O ATOM 0 H ASP A 54 -1.242 -11.358 0.392 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.237 -9.503 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.626 -10.506 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.720 -9.289 0.193 1.00 0.00 H new ATOM 863 N LYS A 55 -0.137 -8.473 1.470 1.00 0.00 N ATOM 864 CA LYS A 55 0.323 -7.323 2.308 1.00 0.00 C ATOM 865 C LYS A 55 1.848 -7.186 2.252 1.00 0.00 C ATOM 866 O LYS A 55 2.379 -6.095 2.291 1.00 0.00 O ATOM 867 CB LYS A 55 -0.130 -7.662 3.729 1.00 0.00 C ATOM 868 CG LYS A 55 -1.658 -7.643 3.799 1.00 0.00 C ATOM 869 CD LYS A 55 -2.133 -8.645 4.850 1.00 0.00 C ATOM 870 CE LYS A 55 -1.888 -8.074 6.249 1.00 0.00 C ATOM 871 NZ LYS A 55 -2.409 -9.109 7.184 1.00 0.00 N ATOM 0 H LYS A 55 -0.339 -9.330 1.985 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.088 -6.376 1.959 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.245 -8.644 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.285 -6.943 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.009 -6.642 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.080 -7.893 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.193 -8.857 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.602 -9.590 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.828 -7.887 6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.405 -7.124 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.276 -8.789 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.422 -9.261 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.893 -10.000 7.038 1.00 0.00 H new ATOM 885 N GLN A 56 2.553 -8.289 2.175 1.00 0.00 N ATOM 886 CA GLN A 56 4.057 -8.248 2.136 1.00 0.00 C ATOM 887 C GLN A 56 4.582 -7.192 1.138 1.00 0.00 C ATOM 888 O GLN A 56 5.385 -6.360 1.504 1.00 0.00 O ATOM 889 CB GLN A 56 4.479 -9.652 1.693 1.00 0.00 C ATOM 890 CG GLN A 56 4.871 -10.484 2.916 1.00 0.00 C ATOM 891 CD GLN A 56 6.230 -10.016 3.440 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.259 -10.487 2.997 1.00 0.00 O ATOM 893 NE2 GLN A 56 6.278 -9.103 4.370 1.00 0.00 N ATOM 0 H GLN A 56 2.151 -9.226 2.137 1.00 0.00 H new ATOM 0 HA GLN A 56 4.467 -7.970 3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.661 -10.136 1.159 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.318 -9.588 1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.115 -10.383 3.695 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.916 -11.540 2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.414 -8.708 4.742 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.179 -8.784 4.726 1.00 0.00 H new ATOM 902 N PRO A 57 4.124 -7.257 -0.092 1.00 0.00 N ATOM 903 CA PRO A 57 4.581 -6.280 -1.111 1.00 0.00 C ATOM 904 C PRO A 57 3.876 -4.929 -0.931 1.00 0.00 C ATOM 905 O PRO A 57 4.473 -3.883 -1.097 1.00 0.00 O ATOM 906 CB PRO A 57 4.169 -6.918 -2.431 1.00 0.00 C ATOM 907 CG PRO A 57 3.017 -7.805 -2.093 1.00 0.00 C ATOM 908 CD PRO A 57 3.168 -8.224 -0.652 1.00 0.00 C ATOM 0 HA PRO A 57 5.650 -6.077 -1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.883 -6.162 -3.162 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.990 -7.487 -2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.074 -7.280 -2.242 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.002 -8.678 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.214 -8.191 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.541 -9.245 -0.571 1.00 0.00 H new ATOM 916 N TYR A 58 2.603 -4.948 -0.624 1.00 0.00 N ATOM 917 CA TYR A 58 1.842 -3.668 -0.468 1.00 0.00 C ATOM 918 C TYR A 58 2.078 -3.019 0.907 1.00 0.00 C ATOM 919 O TYR A 58 1.464 -2.018 1.223 1.00 0.00 O ATOM 920 CB TYR A 58 0.366 -4.065 -0.635 1.00 0.00 C ATOM 921 CG TYR A 58 -0.242 -3.320 -1.802 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.570 -1.965 -1.676 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.473 -3.987 -3.012 1.00 0.00 C ATOM 924 CE1 TYR A 58 -1.130 -1.277 -2.759 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.033 -3.299 -4.094 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.362 -1.944 -3.968 1.00 0.00 C ATOM 927 OH TYR A 58 -1.915 -1.265 -5.035 1.00 0.00 O ATOM 0 H TYR A 58 2.056 -5.796 -0.474 1.00 0.00 H new ATOM 0 HA TYR A 58 2.162 -2.926 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.286 -5.140 -0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.185 -3.839 0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.391 -1.450 -0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.219 -5.032 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.383 -0.232 -2.662 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.212 -3.813 -5.027 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.008 -1.874 -5.797 1.00 0.00 H new ATOM 937 N GLU A 59 2.957 -3.556 1.722 1.00 0.00 N ATOM 938 CA GLU A 59 3.207 -2.928 3.061 1.00 0.00 C ATOM 939 C GLU A 59 4.488 -2.079 3.033 1.00 0.00 C ATOM 940 O GLU A 59 4.692 -1.231 3.882 1.00 0.00 O ATOM 941 CB GLU A 59 3.343 -4.093 4.052 1.00 0.00 C ATOM 942 CG GLU A 59 4.560 -4.963 3.697 1.00 0.00 C ATOM 943 CD GLU A 59 5.570 -4.944 4.849 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.395 -5.717 5.776 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.499 -4.155 4.784 1.00 0.00 O ATOM 0 H GLU A 59 3.506 -4.392 1.522 1.00 0.00 H new ATOM 0 HA GLU A 59 2.396 -2.257 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.449 -3.706 5.065 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.438 -4.700 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.241 -5.986 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.029 -4.593 2.785 1.00 0.00 H new ATOM 952 N GLN A 60 5.351 -2.298 2.067 1.00 0.00 N ATOM 953 CA GLN A 60 6.613 -1.501 1.992 1.00 0.00 C ATOM 954 C GLN A 60 6.336 -0.126 1.368 1.00 0.00 C ATOM 955 O GLN A 60 7.021 0.841 1.648 1.00 0.00 O ATOM 956 CB GLN A 60 7.567 -2.333 1.118 1.00 0.00 C ATOM 957 CG GLN A 60 7.049 -2.418 -0.324 1.00 0.00 C ATOM 958 CD GLN A 60 7.563 -3.701 -0.980 1.00 0.00 C ATOM 959 OE1 GLN A 60 6.840 -4.365 -1.695 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.793 -4.082 -0.766 1.00 0.00 N ATOM 0 H GLN A 60 5.234 -2.993 1.330 1.00 0.00 H new ATOM 0 HA GLN A 60 7.043 -1.311 2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.560 -1.884 1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.667 -3.336 1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.959 -2.406 -0.331 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.381 -1.549 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.402 -3.526 -0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.145 -4.936 -1.199 1.00 0.00 H new ATOM 969 N LYS A 61 5.336 -0.037 0.526 1.00 0.00 N ATOM 970 CA LYS A 61 5.005 1.272 -0.121 1.00 0.00 C ATOM 971 C LYS A 61 4.657 2.313 0.946 1.00 0.00 C ATOM 972 O LYS A 61 5.061 3.458 0.862 1.00 0.00 O ATOM 973 CB LYS A 61 3.792 0.987 -1.011 1.00 0.00 C ATOM 974 CG LYS A 61 3.438 2.242 -1.809 1.00 0.00 C ATOM 975 CD LYS A 61 2.506 1.868 -2.961 1.00 0.00 C ATOM 976 CE LYS A 61 2.561 2.954 -4.037 1.00 0.00 C ATOM 977 NZ LYS A 61 1.730 4.068 -3.501 1.00 0.00 N ATOM 0 H LYS A 61 4.733 -0.815 0.258 1.00 0.00 H new ATOM 0 HA LYS A 61 5.842 1.671 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.011 0.162 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.943 0.681 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.956 2.974 -1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.344 2.707 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.801 0.907 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.485 1.756 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.586 3.278 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.168 2.590 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.981 4.302 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.299 3.777 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.329 4.904 -3.345 1.00 0.00 H new ATOM 991 N ALA A 62 3.916 1.919 1.951 1.00 0.00 N ATOM 992 CA ALA A 62 3.544 2.880 3.036 1.00 0.00 C ATOM 993 C ALA A 62 4.774 3.261 3.873 1.00 0.00 C ATOM 994 O ALA A 62 4.726 4.183 4.664 1.00 0.00 O ATOM 995 CB ALA A 62 2.519 2.139 3.897 1.00 0.00 C ATOM 0 H ALA A 62 3.552 0.973 2.068 1.00 0.00 H new ATOM 0 HA ALA A 62 3.143 3.809 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.199 2.783 4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.656 1.872 3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.971 1.234 4.302 1.00 0.00 H new ATOM 1001 N ALA A 63 5.881 2.571 3.699 1.00 0.00 N ATOM 1002 CA ALA A 63 7.109 2.912 4.477 1.00 0.00 C ATOM 1003 C ALA A 63 7.963 3.942 3.718 1.00 0.00 C ATOM 1004 O ALA A 63 9.051 4.283 4.142 1.00 0.00 O ATOM 1005 CB ALA A 63 7.865 1.590 4.618 1.00 0.00 C ATOM 0 H ALA A 63 5.982 1.789 3.052 1.00 0.00 H new ATOM 0 HA ALA A 63 6.871 3.356 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.784 1.755 5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.241 0.869 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.109 1.203 3.629 1.00 0.00 H new ATOM 1011 N LYS A 64 7.470 4.456 2.614 1.00 0.00 N ATOM 1012 CA LYS A 64 8.236 5.480 1.845 1.00 0.00 C ATOM 1013 C LYS A 64 7.590 6.847 2.056 1.00 0.00 C ATOM 1014 O LYS A 64 8.256 7.860 2.152 1.00 0.00 O ATOM 1015 CB LYS A 64 8.127 5.048 0.384 1.00 0.00 C ATOM 1016 CG LYS A 64 9.014 3.824 0.142 1.00 0.00 C ATOM 1017 CD LYS A 64 10.486 4.232 0.231 1.00 0.00 C ATOM 1018 CE LYS A 64 11.367 3.064 -0.220 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.704 3.669 -0.477 1.00 0.00 N ATOM 0 H LYS A 64 6.565 4.206 2.214 1.00 0.00 H new ATOM 0 HA LYS A 64 9.277 5.556 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.091 4.813 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.431 5.865 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.795 3.052 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.803 3.397 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.671 5.104 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.735 4.516 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.424 2.292 0.548 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.968 2.592 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.365 2.930 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.620 4.395 -1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.062 4.105 0.397 1.00 0.00 H new ATOM 1033 N LEU A 65 6.284 6.868 2.133 1.00 0.00 N ATOM 1034 CA LEU A 65 5.553 8.153 2.345 1.00 0.00 C ATOM 1035 C LEU A 65 5.645 8.606 3.812 1.00 0.00 C ATOM 1036 O LEU A 65 5.119 9.642 4.174 1.00 0.00 O ATOM 1037 CB LEU A 65 4.102 7.845 1.971 1.00 0.00 C ATOM 1038 CG LEU A 65 3.888 8.117 0.482 1.00 0.00 C ATOM 1039 CD1 LEU A 65 4.516 6.989 -0.338 1.00 0.00 C ATOM 1040 CD2 LEU A 65 2.389 8.186 0.186 1.00 0.00 C ATOM 0 H LEU A 65 5.688 6.043 2.057 1.00 0.00 H new ATOM 0 HA LEU A 65 5.974 8.961 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.870 6.804 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.425 8.459 2.564 1.00 0.00 H new ATOM 0 HG LEU A 65 4.356 9.065 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.364 7.183 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.584 6.938 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.048 6.041 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.236 8.380 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.921 7.238 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.939 8.989 0.770 1.00 0.00 H new ATOM 1052 N LYS A 66 6.315 7.853 4.658 1.00 0.00 N ATOM 1053 CA LYS A 66 6.444 8.257 6.088 1.00 0.00 C ATOM 1054 C LYS A 66 7.713 9.094 6.284 1.00 0.00 C ATOM 1055 O LYS A 66 7.814 9.865 7.220 1.00 0.00 O ATOM 1056 CB LYS A 66 6.540 6.943 6.865 1.00 0.00 C ATOM 1057 CG LYS A 66 6.249 7.203 8.344 1.00 0.00 C ATOM 1058 CD LYS A 66 5.701 5.929 8.988 1.00 0.00 C ATOM 1059 CE LYS A 66 5.894 6.000 10.505 1.00 0.00 C ATOM 1060 NZ LYS A 66 7.300 5.560 10.733 1.00 0.00 N ATOM 0 H LYS A 66 6.776 6.977 4.414 1.00 0.00 H new ATOM 0 HA LYS A 66 5.605 8.866 6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.830 6.219 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.534 6.511 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.159 7.519 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.528 8.014 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.643 5.815 8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.214 5.056 8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.731 7.011 10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.188 5.352 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.705 6.092 11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.314 4.543 10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.863 5.738 9.877 1.00 0.00 H new ATOM 1074 N GLU A 67 8.677 8.955 5.403 1.00 0.00 N ATOM 1075 CA GLU A 67 9.936 9.750 5.532 1.00 0.00 C ATOM 1076 C GLU A 67 9.760 11.142 4.908 1.00 0.00 C ATOM 1077 O GLU A 67 10.540 12.042 5.161 1.00 0.00 O ATOM 1078 CB GLU A 67 10.989 8.949 4.765 1.00 0.00 C ATOM 1079 CG GLU A 67 11.658 7.949 5.710 1.00 0.00 C ATOM 1080 CD GLU A 67 12.769 7.208 4.965 1.00 0.00 C ATOM 1081 OE1 GLU A 67 13.766 7.837 4.649 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.606 6.022 4.724 1.00 0.00 O ATOM 0 H GLU A 67 8.644 8.325 4.601 1.00 0.00 H new ATOM 0 HA GLU A 67 10.217 9.906 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.525 8.423 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.736 9.621 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.070 8.469 6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.921 7.239 6.086 1.00 0.00 H new ATOM 1089 N LYS A 68 8.741 11.329 4.102 1.00 0.00 N ATOM 1090 CA LYS A 68 8.511 12.662 3.469 1.00 0.00 C ATOM 1091 C LYS A 68 7.387 13.403 4.202 1.00 0.00 C ATOM 1092 O LYS A 68 7.348 14.618 4.228 1.00 0.00 O ATOM 1093 CB LYS A 68 8.103 12.354 2.028 1.00 0.00 C ATOM 1094 CG LYS A 68 9.337 12.397 1.127 1.00 0.00 C ATOM 1095 CD LYS A 68 10.082 11.063 1.214 1.00 0.00 C ATOM 1096 CE LYS A 68 9.351 10.014 0.374 1.00 0.00 C ATOM 1097 NZ LYS A 68 10.246 8.824 0.381 1.00 0.00 N ATOM 0 H LYS A 68 8.058 10.612 3.856 1.00 0.00 H new ATOM 0 HA LYS A 68 9.394 13.299 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.634 11.371 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.364 13.079 1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.041 12.593 0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.994 13.212 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.105 11.182 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.143 10.735 2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.376 9.777 0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.178 10.372 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.318 8.438 -0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.191 9.102 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.855 8.099 1.016 1.00 0.00 H new ATOM 1111 N TYR A 69 6.479 12.674 4.801 1.00 0.00 N ATOM 1112 CA TYR A 69 5.355 13.323 5.543 1.00 0.00 C ATOM 1113 C TYR A 69 5.849 13.816 6.904 1.00 0.00 C ATOM 1114 O TYR A 69 5.644 14.954 7.276 1.00 0.00 O ATOM 1115 CB TYR A 69 4.309 12.216 5.720 1.00 0.00 C ATOM 1116 CG TYR A 69 3.072 12.776 6.385 1.00 0.00 C ATOM 1117 CD1 TYR A 69 3.085 13.083 7.752 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.911 12.984 5.633 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.936 13.599 8.364 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.761 13.498 6.245 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.775 13.806 7.611 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.357 14.314 8.215 1.00 0.00 O ATOM 0 H TYR A 69 6.468 11.654 4.808 1.00 0.00 H new ATOM 0 HA TYR A 69 4.949 14.186 5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.050 11.791 4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.722 11.407 6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.981 12.922 8.333 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.901 12.748 4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.946 13.837 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.136 13.657 5.664 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.073 14.397 7.551 1.00 0.00 H new ATOM 1132 N GLU A 70 6.493 12.954 7.647 1.00 0.00 N ATOM 1133 CA GLU A 70 7.004 13.343 9.000 1.00 0.00 C ATOM 1134 C GLU A 70 8.012 14.496 8.908 1.00 0.00 C ATOM 1135 O GLU A 70 8.316 15.131 9.900 1.00 0.00 O ATOM 1136 CB GLU A 70 7.682 12.087 9.550 1.00 0.00 C ATOM 1137 CG GLU A 70 6.626 11.157 10.150 1.00 0.00 C ATOM 1138 CD GLU A 70 7.298 10.163 11.098 1.00 0.00 C ATOM 1139 OE1 GLU A 70 7.616 10.556 12.208 1.00 0.00 O ATOM 1140 OE2 GLU A 70 7.483 9.025 10.699 1.00 0.00 O ATOM 0 H GLU A 70 6.689 11.991 7.375 1.00 0.00 H new ATOM 0 HA GLU A 70 6.196 13.693 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.223 11.575 8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.415 12.360 10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.878 11.739 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.104 10.622 9.356 1.00 0.00 H new ATOM 1147 N LYS A 71 8.532 14.779 7.736 1.00 0.00 N ATOM 1148 CA LYS A 71 9.515 15.897 7.604 1.00 0.00 C ATOM 1149 C LYS A 71 8.865 17.086 6.894 1.00 0.00 C ATOM 1150 O LYS A 71 9.211 18.228 7.133 1.00 0.00 O ATOM 1151 CB LYS A 71 10.651 15.325 6.756 1.00 0.00 C ATOM 1152 CG LYS A 71 11.454 14.319 7.581 1.00 0.00 C ATOM 1153 CD LYS A 71 12.654 13.834 6.767 1.00 0.00 C ATOM 1154 CE LYS A 71 13.167 12.513 7.346 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.175 12.029 6.362 1.00 0.00 N ATOM 0 H LYS A 71 8.318 14.285 6.870 1.00 0.00 H new ATOM 0 HA LYS A 71 9.868 16.256 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.246 14.840 5.868 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.301 16.129 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.793 14.781 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.824 13.474 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.368 13.699 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.446 14.583 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.614 12.660 8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.357 11.794 7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.573 11.126 6.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.719 11.892 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.937 12.731 6.272 1.00 0.00 H new ATOM 1169 N ASP A 72 7.927 16.823 6.019 1.00 0.00 N ATOM 1170 CA ASP A 72 7.250 17.931 5.281 1.00 0.00 C ATOM 1171 C ASP A 72 6.074 18.478 6.096 1.00 0.00 C ATOM 1172 O ASP A 72 5.750 19.648 6.014 1.00 0.00 O ATOM 1173 CB ASP A 72 6.751 17.294 3.984 1.00 0.00 C ATOM 1174 CG ASP A 72 6.272 18.389 3.028 1.00 0.00 C ATOM 1175 OD1 ASP A 72 5.113 18.759 3.118 1.00 0.00 O ATOM 1176 OD2 ASP A 72 7.073 18.839 2.225 1.00 0.00 O ATOM 0 H ASP A 72 7.601 15.886 5.784 1.00 0.00 H new ATOM 0 HA ASP A 72 7.921 18.770 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.550 16.715 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.937 16.601 4.197 1.00 0.00 H new ATOM 1181 N ILE A 73 5.435 17.643 6.878 1.00 0.00 N ATOM 1182 CA ILE A 73 4.278 18.121 7.695 1.00 0.00 C ATOM 1183 C ILE A 73 4.762 19.120 8.757 1.00 0.00 C ATOM 1184 O ILE A 73 4.037 20.003 9.167 1.00 0.00 O ATOM 1185 CB ILE A 73 3.673 16.856 8.332 1.00 0.00 C ATOM 1186 CG1 ILE A 73 2.318 17.204 8.951 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.600 16.291 9.417 1.00 0.00 C ATOM 1188 CD1 ILE A 73 1.260 17.277 7.848 1.00 0.00 C ATOM 0 H ILE A 73 5.664 16.655 6.985 1.00 0.00 H new ATOM 0 HA ILE A 73 3.533 18.646 7.097 1.00 0.00 H new ATOM 0 HB ILE A 73 3.550 16.100 7.557 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.039 16.452 9.689 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.379 18.158 9.475 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.150 15.398 9.851 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.563 16.034 8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.746 17.039 10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.293 17.525 8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.539 18.045 7.127 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.193 16.313 7.344 1.00 0.00 H new ATOM 1200 N ALA A 74 5.986 18.972 9.205 1.00 0.00 N ATOM 1201 CA ALA A 74 6.539 19.900 10.247 1.00 0.00 C ATOM 1202 C ALA A 74 6.324 21.365 9.840 1.00 0.00 C ATOM 1203 O ALA A 74 6.115 22.225 10.675 1.00 0.00 O ATOM 1204 CB ALA A 74 8.034 19.578 10.314 1.00 0.00 C ATOM 0 H ALA A 74 6.630 18.245 8.893 1.00 0.00 H new ATOM 0 HA ALA A 74 6.046 19.768 11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.511 20.218 11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.169 18.533 10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.488 19.753 9.339 1.00 0.00 H new ATOM 1210 N ALA A 75 6.359 21.644 8.562 1.00 0.00 N ATOM 1211 CA ALA A 75 6.142 23.047 8.088 1.00 0.00 C ATOM 1212 C ALA A 75 4.650 23.415 8.154 1.00 0.00 C ATOM 1213 O ALA A 75 4.281 24.559 7.964 1.00 0.00 O ATOM 1214 CB ALA A 75 6.632 23.059 6.640 1.00 0.00 C ATOM 0 H ALA A 75 6.529 20.961 7.824 1.00 0.00 H new ATOM 0 HA ALA A 75 6.672 23.772 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.505 24.057 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.686 22.784 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.054 22.344 6.054 1.00 0.00 H new ATOM 1220 N TYR A 76 3.792 22.460 8.437 1.00 0.00 N ATOM 1221 CA TYR A 76 2.332 22.754 8.534 1.00 0.00 C ATOM 1222 C TYR A 76 1.873 22.756 10.005 1.00 0.00 C ATOM 1223 O TYR A 76 0.721 23.018 10.296 1.00 0.00 O ATOM 1224 CB TYR A 76 1.655 21.616 7.767 1.00 0.00 C ATOM 1225 CG TYR A 76 0.181 21.913 7.620 1.00 0.00 C ATOM 1226 CD1 TYR A 76 -0.248 22.894 6.718 1.00 0.00 C ATOM 1227 CD2 TYR A 76 -0.755 21.208 8.386 1.00 0.00 C ATOM 1228 CE1 TYR A 76 -1.614 23.168 6.581 1.00 0.00 C ATOM 1229 CE2 TYR A 76 -2.121 21.483 8.248 1.00 0.00 C ATOM 1230 CZ TYR A 76 -2.550 22.463 7.346 1.00 0.00 C ATOM 1231 OH TYR A 76 -3.896 22.735 7.211 1.00 0.00 O ATOM 0 H TYR A 76 4.046 21.487 8.605 1.00 0.00 H new ATOM 0 HA TYR A 76 2.084 23.735 8.128 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.113 21.502 6.785 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.796 20.673 8.295 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.474 23.439 6.128 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.424 20.452 9.083 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.946 23.924 5.885 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.844 20.939 8.838 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.409 22.156 7.813 1.00 0.00 H new ATOM 1241 N ARG A 77 2.761 22.460 10.929 1.00 0.00 N ATOM 1242 CA ARG A 77 2.369 22.439 12.371 1.00 0.00 C ATOM 1243 C ARG A 77 3.188 23.458 13.172 1.00 0.00 C ATOM 1244 O ARG A 77 2.731 23.982 14.170 1.00 0.00 O ATOM 1245 CB ARG A 77 2.680 21.017 12.841 1.00 0.00 C ATOM 1246 CG ARG A 77 1.492 20.105 12.526 1.00 0.00 C ATOM 1247 CD ARG A 77 1.714 18.736 13.173 1.00 0.00 C ATOM 1248 NE ARG A 77 0.347 18.222 13.463 1.00 0.00 N ATOM 1249 CZ ARG A 77 0.083 17.683 14.622 1.00 0.00 C ATOM 1250 NH1 ARG A 77 -0.128 18.444 15.661 1.00 0.00 N ATOM 1251 NH2 ARG A 77 0.032 16.385 14.742 1.00 0.00 N ATOM 0 H ARG A 77 3.738 22.233 10.743 1.00 0.00 H new ATOM 0 HA ARG A 77 1.321 22.702 12.513 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.578 20.647 12.346 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.882 21.012 13.912 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.569 20.550 12.899 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.380 19.995 11.447 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.254 18.066 12.504 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.305 18.821 14.085 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.384 18.291 12.755 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.087 19.459 15.567 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.334 18.024 16.567 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.199 15.791 13.930 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.174 15.964 15.648 1.00 0.00 H new ATOM 1265 N ALA A 78 4.398 23.744 12.746 1.00 0.00 N ATOM 1266 CA ALA A 78 5.260 24.731 13.478 1.00 0.00 C ATOM 1267 C ALA A 78 5.365 24.363 14.964 1.00 0.00 C ATOM 1268 O ALA A 78 4.759 24.992 15.812 1.00 0.00 O ATOM 1269 CB ALA A 78 4.564 26.085 13.306 1.00 0.00 C ATOM 0 H ALA A 78 4.828 23.333 11.917 1.00 0.00 H new ATOM 0 HA ALA A 78 6.278 24.745 13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.139 26.857 13.817 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.494 26.326 12.245 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.563 26.036 13.734 1.00 0.00 H new ATOM 1275 N LYS A 79 6.132 23.350 15.280 1.00 0.00 N ATOM 1276 CA LYS A 79 6.284 22.935 16.708 1.00 0.00 C ATOM 1277 C LYS A 79 7.712 23.209 17.192 1.00 0.00 C ATOM 1278 O LYS A 79 8.391 23.998 16.556 1.00 0.00 O ATOM 1279 CB LYS A 79 5.984 21.430 16.725 1.00 0.00 C ATOM 1280 CG LYS A 79 6.953 20.687 15.792 1.00 0.00 C ATOM 1281 CD LYS A 79 6.191 20.132 14.584 1.00 0.00 C ATOM 1282 CE LYS A 79 5.469 18.843 14.983 1.00 0.00 C ATOM 1283 NZ LYS A 79 5.255 18.110 13.704 1.00 0.00 N ATOM 1284 OXT LYS A 79 8.101 22.624 18.189 1.00 0.00 O ATOM 0 H LYS A 79 6.660 22.792 14.610 1.00 0.00 H new ATOM 0 HA LYS A 79 5.616 23.487 17.369 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.077 21.044 17.740 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.956 21.253 16.410 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.740 21.363 15.457 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.439 19.874 16.331 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.472 20.868 14.225 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.882 19.935 13.764 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.067 18.255 15.680 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.522 19.058 15.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.764 17.213 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.677 18.691 13.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.174 17.913 13.259 1.00 0.00 H new TER 1298 LYS A 79