USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0696 (180deg=0) USER MOD Single : A 5 MET CE :methyl -112:sc= -2 (180deg=-4.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.227 F(o=-0.88,f=-0.23) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 50:sc= 0.014 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 18 THR OG1 : rot -37:sc= -0.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0.02 USER MOD Single : A 24 THR OG1 : rot -140:sc= -0.207 USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0.345 (180deg=0.14) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ -129:sc= -0.0733 (180deg=-2.88!) USER MOD Single : A 34 THR OG1 : rot -22:sc= 0.202 USER MOD Single : A 36 THR OG1 : rot -57:sc= 0.242 USER MOD Single : A 43 GLN : amide:sc= -0.727 K(o=-0.73,f=-3.6!) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -0.135 (180deg=-0.261) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0121) USER MOD Single : A 57 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= -0.178 (180deg=-0.673) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -125:sc= -0.188 (180deg=-0.808) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -127:sc= 0.405 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 163:sc= 0 (180deg=-0.315) USER MOD Single : A 75 MET CE :methyl -176:sc= 0 (180deg=-0.0169) USER MOD Single : A 77 THR OG1 : rot 58:sc= 0.32 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.007 0.024 0.427 1.00 0.00 N ATOM 2 CA MET A 1 2.500 -0.491 -0.845 1.00 0.00 C ATOM 3 C MET A 1 3.962 -0.912 -0.731 1.00 0.00 C ATOM 4 O MET A 1 4.676 -0.472 0.170 1.00 0.00 O ATOM 5 CB MET A 1 2.345 0.565 -1.942 1.00 0.00 C ATOM 6 CG MET A 1 2.116 -0.024 -3.324 1.00 0.00 C ATOM 7 SD MET A 1 0.485 -0.772 -3.499 1.00 0.00 S ATOM 8 CE MET A 1 -0.059 -0.041 -5.041 1.00 0.00 C ATOM 0 H1 MET A 1 1.252 -0.596 0.784 1.00 0.00 H new ATOM 0 H2 MET A 1 2.786 0.053 1.115 1.00 0.00 H new ATOM 0 H3 MET A 1 1.630 0.984 0.290 1.00 0.00 H new ATOM 0 HA MET A 1 1.907 -1.367 -1.108 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.509 1.218 -1.691 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.240 1.187 -1.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.234 0.759 -4.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.879 -0.775 -3.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.056 -0.407 -5.286 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.086 1.044 -4.940 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.633 -0.314 -5.837 1.00 0.00 H new ATOM 18 N ALA A 2 4.401 -1.766 -1.650 1.00 0.00 N ATOM 19 CA ALA A 2 5.777 -2.244 -1.653 1.00 0.00 C ATOM 20 C ALA A 2 6.644 -1.418 -2.598 1.00 0.00 C ATOM 21 O ALA A 2 6.739 -1.715 -3.789 1.00 0.00 O ATOM 22 CB ALA A 2 5.824 -3.715 -2.041 1.00 0.00 C ATOM 0 H ALA A 2 3.823 -2.141 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 2 6.176 -2.132 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.858 -4.059 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.246 -4.299 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.401 -3.842 -3.038 1.00 0.00 H new ATOM 28 N LEU A 3 7.273 -0.380 -2.059 1.00 0.00 N ATOM 29 CA LEU A 3 8.132 0.491 -2.854 1.00 0.00 C ATOM 30 C LEU A 3 9.537 -0.090 -2.971 1.00 0.00 C ATOM 31 O LEU A 3 10.057 -0.713 -2.046 1.00 0.00 O ATOM 32 CB LEU A 3 8.195 1.886 -2.231 1.00 0.00 C ATOM 33 CG LEU A 3 6.861 2.622 -2.095 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.098 2.124 -0.877 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.086 4.124 -2.008 1.00 0.00 C ATOM 0 H LEU A 3 7.205 -0.121 -1.075 1.00 0.00 H new ATOM 0 HA LEU A 3 7.705 0.566 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.642 1.800 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.866 2.500 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 3 6.263 2.416 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.152 2.659 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.904 1.057 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.691 2.299 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.126 4.631 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.704 4.350 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.590 4.469 -2.911 1.00 0.00 H new ATOM 47 N PRO A 4 10.170 0.120 -4.135 1.00 0.00 N ATOM 48 CA PRO A 4 11.525 -0.372 -4.400 1.00 0.00 C ATOM 49 C PRO A 4 12.580 0.365 -3.582 1.00 0.00 C ATOM 50 O PRO A 4 13.273 1.244 -4.093 1.00 0.00 O ATOM 51 CB PRO A 4 11.717 -0.095 -5.893 1.00 0.00 C ATOM 52 CG PRO A 4 10.795 1.037 -6.191 1.00 0.00 C ATOM 53 CD PRO A 4 9.611 0.855 -5.283 1.00 0.00 C ATOM 0 HA PRO A 4 11.638 -1.422 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.751 0.167 -6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.474 -0.972 -6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.282 1.995 -6.010 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.490 1.027 -7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.187 1.812 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.814 0.293 -5.770 1.00 0.00 H new ATOM 61 N MET A 5 12.695 0.001 -2.309 1.00 0.00 N ATOM 62 CA MET A 5 13.667 0.627 -1.420 1.00 0.00 C ATOM 63 C MET A 5 14.521 -0.425 -0.721 1.00 0.00 C ATOM 64 O MET A 5 14.211 -1.616 -0.761 1.00 0.00 O ATOM 65 CB MET A 5 12.955 1.496 -0.382 1.00 0.00 C ATOM 66 CG MET A 5 11.590 1.988 -0.834 1.00 0.00 C ATOM 67 SD MET A 5 10.903 3.240 0.267 1.00 0.00 S ATOM 68 CE MET A 5 9.639 2.293 1.111 1.00 0.00 C ATOM 0 H MET A 5 12.127 -0.724 -1.870 1.00 0.00 H new ATOM 0 HA MET A 5 14.321 1.257 -2.023 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.839 0.925 0.540 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.583 2.356 -0.148 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.671 2.400 -1.840 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.904 1.143 -0.890 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.655 2.656 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.733 1.241 0.843 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.759 2.405 2.189 1.00 0.00 H new ATOM 78 N ILE A 6 15.597 0.022 -0.081 1.00 0.00 N ATOM 79 CA ILE A 6 16.495 -0.882 0.627 1.00 0.00 C ATOM 80 C ILE A 6 16.410 -0.670 2.135 1.00 0.00 C ATOM 81 O ILE A 6 16.328 0.463 2.610 1.00 0.00 O ATOM 82 CB ILE A 6 17.955 -0.694 0.174 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.085 -0.963 -1.326 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.876 -1.612 0.964 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.205 -0.188 -1.984 1.00 0.00 C ATOM 0 H ILE A 6 15.868 1.005 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 6 16.177 -1.896 0.387 1.00 0.00 H new ATOM 0 HB ILE A 6 18.250 0.338 0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.251 -2.029 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.144 -0.711 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.904 -1.468 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.800 -1.377 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.584 -2.649 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.238 -0.428 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.031 0.881 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.155 -0.457 -1.521 1.00 0.00 H new ATOM 97 N VAL A 7 16.433 -1.768 2.883 1.00 0.00 N ATOM 98 CA VAL A 7 16.363 -1.704 4.338 1.00 0.00 C ATOM 99 C VAL A 7 17.743 -1.873 4.963 1.00 0.00 C ATOM 100 O VAL A 7 18.499 -2.770 4.592 1.00 0.00 O ATOM 101 CB VAL A 7 15.420 -2.783 4.903 1.00 0.00 C ATOM 102 CG1 VAL A 7 13.967 -2.412 4.643 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.747 -4.142 4.304 1.00 0.00 C ATOM 0 H VAL A 7 16.500 -2.713 2.505 1.00 0.00 H new ATOM 0 HA VAL A 7 15.970 -0.720 4.592 1.00 0.00 H new ATOM 0 HB VAL A 7 15.568 -2.842 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.316 -3.186 5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.743 -1.460 5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.800 -2.324 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.071 -4.893 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.629 -4.100 3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.776 -4.409 4.547 1.00 0.00 H new ATOM 113 N LYS A 8 18.065 -1.004 5.916 1.00 0.00 N ATOM 114 CA LYS A 8 19.354 -1.057 6.596 1.00 0.00 C ATOM 115 C LYS A 8 19.181 -0.895 8.103 1.00 0.00 C ATOM 116 O LYS A 8 19.466 0.166 8.659 1.00 0.00 O ATOM 117 CB LYS A 8 20.282 0.034 6.058 1.00 0.00 C ATOM 118 CG LYS A 8 20.303 0.122 4.542 1.00 0.00 C ATOM 119 CD LYS A 8 21.276 1.184 4.058 1.00 0.00 C ATOM 120 CE LYS A 8 22.685 0.627 3.919 1.00 0.00 C ATOM 121 NZ LYS A 8 23.719 1.679 4.123 1.00 0.00 N ATOM 0 H LYS A 8 17.451 -0.255 6.235 1.00 0.00 H new ATOM 0 HA LYS A 8 19.800 -2.033 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 8 19.972 0.996 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.294 -0.152 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.582 -0.845 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.302 0.351 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.942 1.575 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.281 2.020 4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.833 -0.173 4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.805 0.186 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.665 1.260 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.594 2.430 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.621 2.082 5.077 1.00 0.00 H new ATOM 135 N TRP A 9 18.714 -1.952 8.757 1.00 0.00 N ATOM 136 CA TRP A 9 18.505 -1.926 10.200 1.00 0.00 C ATOM 137 C TRP A 9 19.730 -2.456 10.937 1.00 0.00 C ATOM 138 O TRP A 9 19.647 -3.438 11.674 1.00 0.00 O ATOM 139 CB TRP A 9 17.273 -2.752 10.573 1.00 0.00 C ATOM 140 CG TRP A 9 16.906 -2.651 12.023 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.684 -3.686 12.886 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.717 -1.449 12.776 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.368 -3.199 14.131 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.382 -1.830 14.091 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.799 -0.088 12.470 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.129 -0.898 15.094 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.548 0.836 13.467 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.217 0.428 14.766 1.00 0.00 C ATOM 0 H TRP A 9 18.473 -2.837 8.312 1.00 0.00 H new ATOM 0 HA TRP A 9 18.343 -0.891 10.500 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.428 -2.424 9.968 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.456 -3.797 10.324 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.748 -4.733 12.628 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.157 -3.765 14.953 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.054 0.236 11.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.872 -1.210 16.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.608 1.890 13.241 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.028 1.174 15.523 1.00 0.00 H new ATOM 159 N GLY A 10 20.868 -1.799 10.735 1.00 0.00 N ATOM 160 CA GLY A 10 22.094 -2.220 11.387 1.00 0.00 C ATOM 161 C GLY A 10 22.481 -3.642 11.034 1.00 0.00 C ATOM 162 O GLY A 10 23.099 -3.886 9.998 1.00 0.00 O ATOM 0 H GLY A 10 20.963 -0.982 10.131 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.902 -1.546 11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.974 -2.137 12.467 1.00 0.00 H new ATOM 166 N GLY A 11 22.117 -4.586 11.897 1.00 0.00 N ATOM 167 CA GLY A 11 22.440 -5.979 11.654 1.00 0.00 C ATOM 168 C GLY A 11 21.775 -6.518 10.402 1.00 0.00 C ATOM 169 O GLY A 11 22.420 -7.172 9.583 1.00 0.00 O ATOM 0 H GLY A 11 21.604 -4.410 12.761 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.521 -6.088 11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.130 -6.576 12.512 1.00 0.00 H new ATOM 173 N GLN A 12 20.483 -6.244 10.256 1.00 0.00 N ATOM 174 CA GLN A 12 19.731 -6.708 9.096 1.00 0.00 C ATOM 175 C GLN A 12 19.673 -5.631 8.018 1.00 0.00 C ATOM 176 O GLN A 12 18.974 -4.629 8.166 1.00 0.00 O ATOM 177 CB GLN A 12 18.314 -7.111 9.508 1.00 0.00 C ATOM 178 CG GLN A 12 18.276 -8.185 10.583 1.00 0.00 C ATOM 179 CD GLN A 12 17.068 -8.059 11.490 1.00 0.00 C ATOM 180 OE1 GLN A 12 17.276 -8.262 12.786 1.00 0.00 O flip ATOM 181 NE2 GLN A 12 15.959 -7.783 11.032 1.00 0.00 N flip ATOM 0 H GLN A 12 19.935 -5.704 10.926 1.00 0.00 H new ATOM 0 HA GLN A 12 20.244 -7.578 8.687 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.784 -6.229 9.868 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.777 -7.469 8.630 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.270 -9.167 10.110 1.00 0.00 H new ATOM 0 HG3 GLN A 12 19.184 -8.126 11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.844 -7.635 10.029 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.156 -7.702 11.655 1.00 0.00 H new ATOM 190 N GLU A 13 20.412 -5.844 6.934 1.00 0.00 N ATOM 191 CA GLU A 13 20.445 -4.889 5.832 1.00 0.00 C ATOM 192 C GLU A 13 20.018 -5.552 4.526 1.00 0.00 C ATOM 193 O GLU A 13 20.847 -5.841 3.663 1.00 0.00 O ATOM 194 CB GLU A 13 21.848 -4.298 5.682 1.00 0.00 C ATOM 195 CG GLU A 13 21.915 -3.126 4.717 1.00 0.00 C ATOM 196 CD GLU A 13 23.251 -3.030 4.008 1.00 0.00 C ATOM 197 OE1 GLU A 13 24.256 -3.517 4.568 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.293 -2.467 2.894 1.00 0.00 O ATOM 0 H GLU A 13 20.996 -6.669 6.795 1.00 0.00 H new ATOM 0 HA GLU A 13 19.743 -4.086 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.203 -3.973 6.660 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.527 -5.079 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.121 -3.224 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.730 -2.200 5.262 1.00 0.00 H new ATOM 205 N TYR A 14 18.718 -5.790 4.387 1.00 0.00 N ATOM 206 CA TYR A 14 18.180 -6.421 3.188 1.00 0.00 C ATOM 207 C TYR A 14 17.795 -5.374 2.148 1.00 0.00 C ATOM 208 O TYR A 14 18.018 -4.179 2.341 1.00 0.00 O ATOM 209 CB TYR A 14 16.963 -7.278 3.540 1.00 0.00 C ATOM 210 CG TYR A 14 16.947 -8.621 2.845 1.00 0.00 C ATOM 211 CD1 TYR A 14 18.037 -9.479 2.924 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.843 -9.031 2.108 1.00 0.00 C ATOM 213 CE1 TYR A 14 18.027 -10.707 2.290 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.823 -10.257 1.472 1.00 0.00 C ATOM 215 CZ TYR A 14 16.918 -11.091 1.566 1.00 0.00 C ATOM 216 OH TYR A 14 16.903 -12.313 0.932 1.00 0.00 O ATOM 0 H TYR A 14 18.018 -5.555 5.090 1.00 0.00 H new ATOM 0 HA TYR A 14 18.955 -7.059 2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.940 -7.436 4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.057 -6.732 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.907 -9.181 3.491 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.985 -8.380 2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.883 -11.362 2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.956 -10.561 0.905 1.00 0.00 H new ATOM 0 HH TYR A 14 16.048 -12.430 0.467 1.00 0.00 H new ATOM 226 N SER A 15 17.214 -5.832 1.044 1.00 0.00 N ATOM 227 CA SER A 15 16.799 -4.937 -0.030 1.00 0.00 C ATOM 228 C SER A 15 15.342 -5.182 -0.410 1.00 0.00 C ATOM 229 O SER A 15 15.016 -6.177 -1.057 1.00 0.00 O ATOM 230 CB SER A 15 17.696 -5.126 -1.255 1.00 0.00 C ATOM 231 OG SER A 15 17.994 -6.496 -1.463 1.00 0.00 O ATOM 0 H SER A 15 17.020 -6.818 0.870 1.00 0.00 H new ATOM 0 HA SER A 15 16.895 -3.912 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.202 -4.720 -2.138 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.621 -4.566 -1.122 1.00 0.00 H new ATOM 0 HG SER A 15 17.165 -7.018 -1.441 1.00 0.00 H new ATOM 237 N VAL A 16 14.469 -4.266 -0.002 1.00 0.00 N ATOM 238 CA VAL A 16 13.046 -4.380 -0.300 1.00 0.00 C ATOM 239 C VAL A 16 12.719 -3.777 -1.661 1.00 0.00 C ATOM 240 O VAL A 16 11.829 -2.935 -1.783 1.00 0.00 O ATOM 241 CB VAL A 16 12.190 -3.686 0.776 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.721 -4.037 0.598 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.673 -4.067 2.168 1.00 0.00 C ATOM 0 H VAL A 16 14.722 -3.437 0.536 1.00 0.00 H new ATOM 0 HA VAL A 16 12.810 -5.444 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 16 12.297 -2.607 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.132 -3.538 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.385 -3.710 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.592 -5.116 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.057 -3.568 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.597 -5.147 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.712 -3.760 2.289 1.00 0.00 H new ATOM 253 N THR A 17 13.445 -4.214 -2.686 1.00 0.00 N ATOM 254 CA THR A 17 13.233 -3.718 -4.040 1.00 0.00 C ATOM 255 C THR A 17 11.992 -4.343 -4.667 1.00 0.00 C ATOM 256 O THR A 17 11.557 -5.422 -4.265 1.00 0.00 O ATOM 257 CB THR A 17 14.449 -4.005 -4.940 1.00 0.00 C ATOM 258 OG1 THR A 17 14.169 -3.600 -6.285 1.00 0.00 O ATOM 259 CG2 THR A 17 14.805 -5.484 -4.914 1.00 0.00 C ATOM 0 H THR A 17 14.185 -4.911 -2.604 1.00 0.00 H new ATOM 0 HA THR A 17 13.094 -2.640 -3.963 1.00 0.00 H new ATOM 0 HB THR A 17 15.298 -3.437 -4.559 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.948 -3.784 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.667 -5.662 -5.557 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.046 -5.782 -3.894 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.958 -6.069 -5.273 1.00 0.00 H new ATOM 267 N THR A 18 11.425 -3.658 -5.655 1.00 0.00 N ATOM 268 CA THR A 18 10.233 -4.145 -6.337 1.00 0.00 C ATOM 269 C THR A 18 10.582 -5.238 -7.341 1.00 0.00 C ATOM 270 O THR A 18 9.698 -5.857 -7.934 1.00 0.00 O ATOM 271 CB THR A 18 9.499 -3.006 -7.070 1.00 0.00 C ATOM 272 OG1 THR A 18 8.229 -3.467 -7.545 1.00 0.00 O ATOM 273 CG2 THR A 18 10.328 -2.493 -8.239 1.00 0.00 C ATOM 0 H THR A 18 11.773 -2.764 -6.001 1.00 0.00 H new ATOM 0 HA THR A 18 9.576 -4.556 -5.570 1.00 0.00 H new ATOM 0 HB THR A 18 9.347 -2.188 -6.366 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.309 -4.397 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.790 -1.689 -8.742 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.282 -2.116 -7.871 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.506 -3.306 -8.943 1.00 0.00 H new ATOM 281 N LEU A 19 11.877 -5.472 -7.527 1.00 0.00 N ATOM 282 CA LEU A 19 12.344 -6.492 -8.459 1.00 0.00 C ATOM 283 C LEU A 19 12.023 -6.102 -9.899 1.00 0.00 C ATOM 284 O LEU A 19 11.441 -5.047 -10.151 1.00 0.00 O ATOM 285 CB LEU A 19 11.706 -7.843 -8.130 1.00 0.00 C ATOM 286 CG LEU A 19 11.556 -8.170 -6.644 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.800 -9.476 -6.459 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.920 -8.241 -5.973 1.00 0.00 C ATOM 0 H LEU A 19 12.622 -4.969 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 19 13.426 -6.574 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.719 -7.878 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.303 -8.627 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 19 10.983 -7.372 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.703 -9.693 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.809 -9.389 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.346 -10.284 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.794 -8.475 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.519 -9.018 -6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.426 -7.281 -6.074 1.00 0.00 H new ATOM 300 N SER A 20 12.403 -6.962 -10.838 1.00 0.00 N ATOM 301 CA SER A 20 12.157 -6.707 -12.253 1.00 0.00 C ATOM 302 C SER A 20 10.715 -7.040 -12.622 1.00 0.00 C ATOM 303 O SER A 20 9.942 -7.507 -11.786 1.00 0.00 O ATOM 304 CB SER A 20 13.119 -7.526 -13.115 1.00 0.00 C ATOM 305 OG SER A 20 13.231 -6.977 -14.417 1.00 0.00 O ATOM 0 H SER A 20 12.882 -7.841 -10.645 1.00 0.00 H new ATOM 0 HA SER A 20 12.326 -5.647 -12.441 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.101 -7.554 -12.643 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.767 -8.556 -13.180 1.00 0.00 H new ATOM 0 HG SER A 20 13.853 -7.518 -14.948 1.00 0.00 H new ATOM 311 N GLU A 21 10.361 -6.797 -13.880 1.00 0.00 N ATOM 312 CA GLU A 21 9.012 -7.070 -14.360 1.00 0.00 C ATOM 313 C GLU A 21 8.756 -8.573 -14.437 1.00 0.00 C ATOM 314 O GLU A 21 7.627 -9.030 -14.258 1.00 0.00 O ATOM 315 CB GLU A 21 8.797 -6.435 -15.735 1.00 0.00 C ATOM 316 CG GLU A 21 9.685 -7.019 -16.821 1.00 0.00 C ATOM 317 CD GLU A 21 9.967 -6.033 -17.938 1.00 0.00 C ATOM 318 OE1 GLU A 21 9.057 -5.792 -18.759 1.00 0.00 O ATOM 319 OE2 GLU A 21 11.096 -5.503 -17.991 1.00 0.00 O ATOM 0 H GLU A 21 10.990 -6.412 -14.585 1.00 0.00 H new ATOM 0 HA GLU A 21 8.307 -6.634 -13.652 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.754 -6.560 -16.024 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.982 -5.363 -15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.628 -7.341 -16.380 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.208 -7.906 -17.237 1.00 0.00 H new ATOM 326 N ASP A 22 9.811 -9.334 -14.704 1.00 0.00 N ATOM 327 CA ASP A 22 9.702 -10.784 -14.804 1.00 0.00 C ATOM 328 C ASP A 22 9.189 -11.382 -13.497 1.00 0.00 C ATOM 329 O ASP A 22 8.603 -12.465 -13.486 1.00 0.00 O ATOM 330 CB ASP A 22 11.058 -11.396 -15.161 1.00 0.00 C ATOM 331 CG ASP A 22 11.314 -11.403 -16.655 1.00 0.00 C ATOM 332 OD1 ASP A 22 10.396 -11.780 -17.412 1.00 0.00 O ATOM 333 OD2 ASP A 22 12.433 -11.031 -17.067 1.00 0.00 O ATOM 0 H ASP A 22 10.752 -8.971 -14.855 1.00 0.00 H new ATOM 0 HA ASP A 22 8.988 -11.016 -15.594 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.849 -10.836 -14.662 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.104 -12.417 -14.783 1.00 0.00 H new ATOM 338 N ASP A 23 9.415 -10.671 -12.398 1.00 0.00 N ATOM 339 CA ASP A 23 8.976 -11.130 -11.086 1.00 0.00 C ATOM 340 C ASP A 23 7.938 -10.180 -10.497 1.00 0.00 C ATOM 341 O ASP A 23 7.425 -9.298 -11.186 1.00 0.00 O ATOM 342 CB ASP A 23 10.170 -11.252 -10.138 1.00 0.00 C ATOM 343 CG ASP A 23 11.312 -12.043 -10.745 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.185 -13.280 -10.853 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.334 -11.424 -11.111 1.00 0.00 O ATOM 0 H ASP A 23 9.900 -9.774 -12.390 1.00 0.00 H new ATOM 0 HA ASP A 23 8.517 -12.111 -11.207 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.523 -10.255 -9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.849 -11.733 -9.214 1.00 0.00 H new ATOM 350 N THR A 24 7.631 -10.367 -9.217 1.00 0.00 N ATOM 351 CA THR A 24 6.652 -9.529 -8.535 1.00 0.00 C ATOM 352 C THR A 24 6.972 -9.409 -7.049 1.00 0.00 C ATOM 353 O THR A 24 7.872 -10.077 -6.541 1.00 0.00 O ATOM 354 CB THR A 24 5.225 -10.085 -8.699 1.00 0.00 C ATOM 355 OG1 THR A 24 5.275 -11.491 -8.966 1.00 0.00 O ATOM 356 CG2 THR A 24 4.494 -9.374 -9.828 1.00 0.00 C ATOM 0 H THR A 24 8.046 -11.092 -8.632 1.00 0.00 H new ATOM 0 HA THR A 24 6.704 -8.543 -8.996 1.00 0.00 H new ATOM 0 HB THR A 24 4.682 -9.912 -7.770 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.602 -11.720 -9.641 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.488 -9.783 -9.925 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.432 -8.308 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.037 -9.520 -10.762 1.00 0.00 H new ATOM 364 N VAL A 25 6.227 -8.553 -6.356 1.00 0.00 N ATOM 365 CA VAL A 25 6.430 -8.347 -4.927 1.00 0.00 C ATOM 366 C VAL A 25 6.126 -9.617 -4.140 1.00 0.00 C ATOM 367 O VAL A 25 6.724 -9.870 -3.093 1.00 0.00 O ATOM 368 CB VAL A 25 5.547 -7.203 -4.394 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.525 -7.209 -2.874 1.00 0.00 C ATOM 370 CG2 VAL A 25 6.037 -5.863 -4.923 1.00 0.00 C ATOM 0 H VAL A 25 5.478 -7.992 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 25 7.478 -8.081 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 25 4.528 -7.358 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.896 -6.394 -2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.124 -8.159 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.539 -7.079 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.402 -5.065 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.065 -5.698 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.996 -5.865 -6.012 1.00 0.00 H new ATOM 380 N LEU A 26 5.193 -10.413 -4.650 1.00 0.00 N ATOM 381 CA LEU A 26 4.809 -11.659 -3.996 1.00 0.00 C ATOM 382 C LEU A 26 6.034 -12.521 -3.704 1.00 0.00 C ATOM 383 O LEU A 26 6.093 -13.208 -2.684 1.00 0.00 O ATOM 384 CB LEU A 26 3.823 -12.435 -4.870 1.00 0.00 C ATOM 385 CG LEU A 26 4.322 -12.826 -6.262 1.00 0.00 C ATOM 386 CD1 LEU A 26 5.038 -14.167 -6.215 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.167 -12.870 -7.250 1.00 0.00 C ATOM 0 H LEU A 26 4.688 -10.218 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 26 4.328 -11.410 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.536 -13.344 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.920 -11.835 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 26 5.032 -12.070 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.386 -14.429 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.891 -14.101 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.351 -14.934 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.541 -13.150 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.433 -13.604 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.698 -11.888 -7.306 1.00 0.00 H new ATOM 399 N ASP A 27 7.010 -12.477 -4.604 1.00 0.00 N ATOM 400 CA ASP A 27 8.235 -13.251 -4.441 1.00 0.00 C ATOM 401 C ASP A 27 9.034 -12.758 -3.239 1.00 0.00 C ATOM 402 O ASP A 27 9.190 -13.473 -2.248 1.00 0.00 O ATOM 403 CB ASP A 27 9.089 -13.165 -5.707 1.00 0.00 C ATOM 404 CG ASP A 27 8.786 -14.281 -6.687 1.00 0.00 C ATOM 405 OD1 ASP A 27 8.590 -15.430 -6.237 1.00 0.00 O ATOM 406 OD2 ASP A 27 8.743 -14.006 -7.905 1.00 0.00 O ATOM 0 H ASP A 27 6.977 -11.914 -5.454 1.00 0.00 H new ATOM 0 HA ASP A 27 7.958 -14.291 -4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.919 -12.204 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.143 -13.202 -5.434 1.00 0.00 H new ATOM 411 N LEU A 28 9.538 -11.533 -3.333 1.00 0.00 N ATOM 412 CA LEU A 28 10.323 -10.943 -2.253 1.00 0.00 C ATOM 413 C LEU A 28 9.582 -11.045 -0.924 1.00 0.00 C ATOM 414 O LEU A 28 10.198 -11.151 0.137 1.00 0.00 O ATOM 415 CB LEU A 28 10.637 -9.479 -2.565 1.00 0.00 C ATOM 416 CG LEU A 28 9.572 -8.462 -2.152 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.821 -7.973 -0.734 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.546 -7.292 -3.126 1.00 0.00 C ATOM 0 H LEU A 28 9.418 -10.928 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 28 11.257 -11.498 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.573 -9.216 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.804 -9.385 -3.638 1.00 0.00 H new ATOM 0 HG LEU A 28 8.599 -8.953 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.053 -7.250 -0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.787 -8.818 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.801 -7.500 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.782 -6.578 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.520 -6.802 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.317 -7.657 -4.127 1.00 0.00 H new ATOM 430 N LYS A 29 8.255 -11.014 -0.988 1.00 0.00 N ATOM 431 CA LYS A 29 7.428 -11.106 0.209 1.00 0.00 C ATOM 432 C LYS A 29 7.678 -12.420 0.943 1.00 0.00 C ATOM 433 O LYS A 29 7.993 -12.425 2.133 1.00 0.00 O ATOM 434 CB LYS A 29 5.947 -10.989 -0.159 1.00 0.00 C ATOM 435 CG LYS A 29 5.088 -10.412 0.953 1.00 0.00 C ATOM 436 CD LYS A 29 3.624 -10.776 0.772 1.00 0.00 C ATOM 437 CE LYS A 29 3.006 -10.035 -0.404 1.00 0.00 C ATOM 438 NZ LYS A 29 2.458 -8.711 0.000 1.00 0.00 N ATOM 0 H LYS A 29 7.729 -10.926 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 29 7.698 -10.283 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.850 -10.361 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.568 -11.976 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.440 -10.783 1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.195 -9.327 0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.532 -11.851 0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.074 -10.539 1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.758 -9.895 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.210 -10.641 -0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.742 -8.406 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.021 -8.788 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.227 -8.012 0.032 1.00 0.00 H new ATOM 452 N GLN A 30 7.536 -13.530 0.226 1.00 0.00 N ATOM 453 CA GLN A 30 7.748 -14.848 0.811 1.00 0.00 C ATOM 454 C GLN A 30 9.157 -14.971 1.381 1.00 0.00 C ATOM 455 O GLN A 30 9.383 -15.687 2.356 1.00 0.00 O ATOM 456 CB GLN A 30 7.511 -15.938 -0.236 1.00 0.00 C ATOM 457 CG GLN A 30 6.053 -16.343 -0.374 1.00 0.00 C ATOM 458 CD GLN A 30 5.874 -17.615 -1.180 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.591 -17.853 -2.152 1.00 0.00 O ATOM 460 NE2 GLN A 30 4.914 -18.440 -0.779 1.00 0.00 N ATOM 0 H GLN A 30 7.275 -13.543 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 30 7.035 -14.975 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.875 -15.587 -1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.100 -16.817 0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.623 -16.483 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.499 -15.534 -0.851 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.343 -18.202 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.747 -19.311 -1.282 1.00 0.00 H new ATOM 469 N PHE A 31 10.102 -14.269 0.765 1.00 0.00 N ATOM 470 CA PHE A 31 11.491 -14.301 1.210 1.00 0.00 C ATOM 471 C PHE A 31 11.641 -13.627 2.570 1.00 0.00 C ATOM 472 O PHE A 31 12.449 -14.049 3.399 1.00 0.00 O ATOM 473 CB PHE A 31 12.393 -13.611 0.184 1.00 0.00 C ATOM 474 CG PHE A 31 12.935 -14.545 -0.861 1.00 0.00 C ATOM 475 CD1 PHE A 31 13.645 -15.677 -0.495 1.00 0.00 C ATOM 476 CD2 PHE A 31 12.735 -14.289 -2.208 1.00 0.00 C ATOM 477 CE1 PHE A 31 14.145 -16.538 -1.454 1.00 0.00 C ATOM 478 CE2 PHE A 31 13.232 -15.147 -3.171 1.00 0.00 C ATOM 479 CZ PHE A 31 13.939 -16.272 -2.794 1.00 0.00 C ATOM 0 H PHE A 31 9.932 -13.671 -0.044 1.00 0.00 H new ATOM 0 HA PHE A 31 11.793 -15.344 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.831 -12.817 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.226 -13.138 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 31 13.810 -15.889 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.185 -13.410 -2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.696 -17.418 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 31 13.068 -14.938 -4.218 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.330 -16.942 -3.545 1.00 0.00 H new ATOM 489 N LEU A 32 10.859 -12.576 2.793 1.00 0.00 N ATOM 490 CA LEU A 32 10.905 -11.842 4.053 1.00 0.00 C ATOM 491 C LEU A 32 10.309 -12.670 5.187 1.00 0.00 C ATOM 492 O LEU A 32 10.742 -12.572 6.336 1.00 0.00 O ATOM 493 CB LEU A 32 10.150 -10.518 3.922 1.00 0.00 C ATOM 494 CG LEU A 32 10.751 -9.495 2.957 1.00 0.00 C ATOM 495 CD1 LEU A 32 9.973 -8.190 3.010 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.219 -9.257 3.280 1.00 0.00 C ATOM 0 H LEU A 32 10.186 -12.213 2.118 1.00 0.00 H new ATOM 0 HA LEU A 32 11.949 -11.636 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.131 -10.734 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.084 -10.061 4.909 1.00 0.00 H new ATOM 0 HG LEU A 32 10.682 -9.894 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.415 -7.474 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.936 -8.373 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.010 -7.785 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.631 -8.526 2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.311 -8.880 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.768 -10.194 3.189 1.00 0.00 H new ATOM 508 N LYS A 33 9.315 -13.487 4.858 1.00 0.00 N ATOM 509 CA LYS A 33 8.661 -14.336 5.847 1.00 0.00 C ATOM 510 C LYS A 33 9.569 -15.490 6.259 1.00 0.00 C ATOM 511 O LYS A 33 9.536 -15.941 7.404 1.00 0.00 O ATOM 512 CB LYS A 33 7.345 -14.883 5.290 1.00 0.00 C ATOM 513 CG LYS A 33 6.411 -13.805 4.767 1.00 0.00 C ATOM 514 CD LYS A 33 5.392 -14.374 3.794 1.00 0.00 C ATOM 515 CE LYS A 33 4.884 -13.309 2.834 1.00 0.00 C ATOM 516 NZ LYS A 33 3.840 -12.451 3.458 1.00 0.00 N ATOM 0 H LYS A 33 8.944 -13.580 3.912 1.00 0.00 H new ATOM 0 HA LYS A 33 8.451 -13.729 6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.564 -15.584 4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.835 -15.446 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.894 -13.334 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.993 -13.027 4.273 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.843 -15.190 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.554 -14.796 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.718 -12.687 2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.476 -13.788 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.009 -12.407 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.563 -12.853 4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.218 -11.492 3.600 1.00 0.00 H new ATOM 530 N THR A 34 10.382 -15.963 5.319 1.00 0.00 N ATOM 531 CA THR A 34 11.299 -17.063 5.585 1.00 0.00 C ATOM 532 C THR A 34 12.633 -16.551 6.116 1.00 0.00 C ATOM 533 O THR A 34 13.333 -17.253 6.847 1.00 0.00 O ATOM 534 CB THR A 34 11.552 -17.902 4.318 1.00 0.00 C ATOM 535 OG1 THR A 34 12.245 -17.118 3.341 1.00 0.00 O ATOM 536 CG2 THR A 34 10.241 -18.408 3.733 1.00 0.00 C ATOM 0 H THR A 34 10.423 -15.601 4.366 1.00 0.00 H new ATOM 0 HA THR A 34 10.828 -17.692 6.340 1.00 0.00 H new ATOM 0 HB THR A 34 12.164 -18.761 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.103 -16.166 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.445 -18.998 2.839 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.730 -19.029 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.608 -17.560 3.472 1.00 0.00 H new ATOM 544 N LEU A 35 12.980 -15.324 5.744 1.00 0.00 N ATOM 545 CA LEU A 35 14.232 -14.716 6.184 1.00 0.00 C ATOM 546 C LEU A 35 14.076 -14.087 7.565 1.00 0.00 C ATOM 547 O LEU A 35 14.911 -14.286 8.448 1.00 0.00 O ATOM 548 CB LEU A 35 14.689 -13.659 5.178 1.00 0.00 C ATOM 549 CG LEU A 35 15.933 -12.858 5.566 1.00 0.00 C ATOM 550 CD1 LEU A 35 17.182 -13.492 4.974 1.00 0.00 C ATOM 551 CD2 LEU A 35 15.800 -11.412 5.110 1.00 0.00 C ATOM 0 H LEU A 35 12.413 -14.730 5.139 1.00 0.00 H new ATOM 0 HA LEU A 35 14.987 -15.500 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.881 -14.152 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.868 -12.961 5.016 1.00 0.00 H new ATOM 0 HG LEU A 35 16.024 -12.869 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.057 -12.909 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.286 -14.510 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.100 -13.512 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.694 -10.857 5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.683 -11.381 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.927 -10.961 5.582 1.00 0.00 H new ATOM 563 N THR A 36 12.999 -13.329 7.746 1.00 0.00 N ATOM 564 CA THR A 36 12.732 -12.672 9.020 1.00 0.00 C ATOM 565 C THR A 36 11.498 -13.260 9.694 1.00 0.00 C ATOM 566 O THR A 36 11.478 -13.459 10.908 1.00 0.00 O ATOM 567 CB THR A 36 12.531 -11.155 8.838 1.00 0.00 C ATOM 568 OG1 THR A 36 11.162 -10.878 8.521 1.00 0.00 O ATOM 569 CG2 THR A 36 13.431 -10.618 7.735 1.00 0.00 C ATOM 0 H THR A 36 12.297 -13.155 7.026 1.00 0.00 H new ATOM 0 HA THR A 36 13.603 -12.842 9.653 1.00 0.00 H new ATOM 0 HB THR A 36 12.795 -10.661 9.773 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.906 -11.373 7.714 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.271 -9.545 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.473 -10.805 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.194 -11.118 6.796 1.00 0.00 H new ATOM 577 N GLY A 37 10.470 -13.537 8.898 1.00 0.00 N ATOM 578 CA GLY A 37 9.246 -14.100 9.437 1.00 0.00 C ATOM 579 C GLY A 37 8.722 -13.319 10.625 1.00 0.00 C ATOM 580 O GLY A 37 8.037 -13.871 11.487 1.00 0.00 O ATOM 0 H GLY A 37 10.463 -13.382 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.485 -14.122 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.426 -15.133 9.736 1.00 0.00 H new ATOM 584 N VAL A 38 9.045 -12.031 10.674 1.00 0.00 N ATOM 585 CA VAL A 38 8.603 -11.172 11.766 1.00 0.00 C ATOM 586 C VAL A 38 7.706 -10.050 11.255 1.00 0.00 C ATOM 587 O VAL A 38 6.931 -9.466 12.013 1.00 0.00 O ATOM 588 CB VAL A 38 9.800 -10.557 12.516 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.546 -9.580 11.620 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.334 -9.873 13.792 1.00 0.00 C ATOM 0 H VAL A 38 9.612 -11.559 9.970 1.00 0.00 H new ATOM 0 HA VAL A 38 8.037 -11.800 12.454 1.00 0.00 H new ATOM 0 HB VAL A 38 10.486 -11.359 12.790 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.388 -9.155 12.166 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.913 -10.103 10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.872 -8.780 11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.192 -9.444 14.309 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.627 -9.081 13.543 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.848 -10.603 14.439 1.00 0.00 H new ATOM 600 N LEU A 39 7.816 -9.754 9.965 1.00 0.00 N ATOM 601 CA LEU A 39 7.015 -8.701 9.351 1.00 0.00 C ATOM 602 C LEU A 39 5.536 -8.880 9.680 1.00 0.00 C ATOM 603 O LEU A 39 4.890 -7.999 10.247 1.00 0.00 O ATOM 604 CB LEU A 39 7.215 -8.700 7.834 1.00 0.00 C ATOM 605 CG LEU A 39 8.277 -7.739 7.298 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.631 -8.037 7.923 1.00 0.00 C ATOM 607 CD2 LEU A 39 8.356 -7.824 5.781 1.00 0.00 C ATOM 0 H LEU A 39 8.452 -10.228 9.324 1.00 0.00 H new ATOM 0 HA LEU A 39 7.345 -7.744 9.756 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.477 -9.711 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.263 -8.457 7.362 1.00 0.00 H new ATOM 0 HG LEU A 39 7.991 -6.723 7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.374 -7.343 7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.565 -7.923 9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.926 -9.059 7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.117 -7.133 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.618 -8.840 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.390 -7.559 5.351 1.00 0.00 H new ATOM 619 N PRO A 40 4.987 -10.050 9.319 1.00 0.00 N ATOM 620 CA PRO A 40 3.579 -10.373 9.568 1.00 0.00 C ATOM 621 C PRO A 40 3.286 -10.581 11.050 1.00 0.00 C ATOM 622 O PRO A 40 2.131 -10.729 11.448 1.00 0.00 O ATOM 623 CB PRO A 40 3.373 -11.678 8.794 1.00 0.00 C ATOM 624 CG PRO A 40 4.728 -12.292 8.718 1.00 0.00 C ATOM 625 CD PRO A 40 5.698 -11.146 8.639 1.00 0.00 C ATOM 0 HA PRO A 40 2.914 -9.567 9.257 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.669 -12.335 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.968 -11.489 7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.926 -12.911 9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.815 -12.938 7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.640 -11.382 9.134 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.936 -10.891 7.606 1.00 0.00 H new ATOM 633 N GLU A 41 4.339 -10.591 11.861 1.00 0.00 N ATOM 634 CA GLU A 41 4.192 -10.781 13.299 1.00 0.00 C ATOM 635 C GLU A 41 4.133 -9.439 14.023 1.00 0.00 C ATOM 636 O GLU A 41 3.109 -9.079 14.604 1.00 0.00 O ATOM 637 CB GLU A 41 5.351 -11.618 13.846 1.00 0.00 C ATOM 638 CG GLU A 41 5.384 -13.038 13.307 1.00 0.00 C ATOM 639 CD GLU A 41 6.189 -13.977 14.185 1.00 0.00 C ATOM 640 OE1 GLU A 41 6.997 -13.481 14.998 1.00 0.00 O ATOM 641 OE2 GLU A 41 6.010 -15.206 14.059 1.00 0.00 O ATOM 0 H GLU A 41 5.302 -10.470 11.547 1.00 0.00 H new ATOM 0 HA GLU A 41 3.256 -11.310 13.476 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.292 -11.124 13.602 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.282 -11.653 14.933 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.364 -13.413 13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.809 -13.032 12.303 1.00 0.00 H new ATOM 648 N ARG A 42 5.240 -8.703 13.983 1.00 0.00 N ATOM 649 CA ARG A 42 5.316 -7.402 14.636 1.00 0.00 C ATOM 650 C ARG A 42 6.432 -6.555 14.032 1.00 0.00 C ATOM 651 O ARG A 42 7.614 -6.833 14.237 1.00 0.00 O ATOM 652 CB ARG A 42 5.546 -7.574 16.138 1.00 0.00 C ATOM 653 CG ARG A 42 6.636 -8.579 16.476 1.00 0.00 C ATOM 654 CD ARG A 42 6.723 -8.823 17.974 1.00 0.00 C ATOM 655 NE ARG A 42 7.280 -7.675 18.685 1.00 0.00 N ATOM 656 CZ ARG A 42 7.336 -7.587 20.009 1.00 0.00 C ATOM 657 NH1 ARG A 42 6.872 -8.574 20.763 1.00 0.00 N ATOM 658 NH2 ARG A 42 7.858 -6.510 20.582 1.00 0.00 N ATOM 0 H ARG A 42 6.096 -8.986 13.505 1.00 0.00 H new ATOM 0 HA ARG A 42 4.368 -6.888 14.478 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.808 -6.608 16.570 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.614 -7.891 16.606 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.436 -9.520 15.964 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.595 -8.214 16.109 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.729 -9.043 18.364 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.341 -9.701 18.163 1.00 0.00 H new ATOM 0 HE ARG A 42 7.646 -6.898 18.134 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.471 -9.404 20.326 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.916 -8.503 21.780 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.217 -5.749 20.006 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.901 -6.443 21.599 1.00 0.00 H new ATOM 672 N GLN A 43 6.049 -5.523 13.288 1.00 0.00 N ATOM 673 CA GLN A 43 7.019 -4.637 12.654 1.00 0.00 C ATOM 674 C GLN A 43 6.716 -3.178 12.979 1.00 0.00 C ATOM 675 O GLN A 43 5.626 -2.848 13.446 1.00 0.00 O ATOM 676 CB GLN A 43 7.018 -4.846 11.139 1.00 0.00 C ATOM 677 CG GLN A 43 5.875 -4.139 10.428 1.00 0.00 C ATOM 678 CD GLN A 43 4.514 -4.623 10.887 1.00 0.00 C ATOM 679 OE1 GLN A 43 4.037 -4.247 11.959 1.00 0.00 O ATOM 680 NE2 GLN A 43 3.879 -5.461 10.077 1.00 0.00 N ATOM 0 H GLN A 43 5.075 -5.279 13.109 1.00 0.00 H new ATOM 0 HA GLN A 43 8.007 -4.880 13.046 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.964 -4.490 10.731 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.961 -5.914 10.928 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.952 -3.066 10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.969 -4.295 9.353 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.311 -5.747 9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.959 -5.819 10.333 1.00 0.00 H new ATOM 689 N LYS A 44 7.689 -2.308 12.728 1.00 0.00 N ATOM 690 CA LYS A 44 7.527 -0.883 12.992 1.00 0.00 C ATOM 691 C LYS A 44 8.103 -0.050 11.851 1.00 0.00 C ATOM 692 O LYS A 44 8.750 0.973 12.081 1.00 0.00 O ATOM 693 CB LYS A 44 8.212 -0.507 14.308 1.00 0.00 C ATOM 694 CG LYS A 44 7.351 -0.755 15.534 1.00 0.00 C ATOM 695 CD LYS A 44 6.611 0.502 15.961 1.00 0.00 C ATOM 696 CE LYS A 44 5.567 0.910 14.933 1.00 0.00 C ATOM 697 NZ LYS A 44 4.509 -0.126 14.775 1.00 0.00 N ATOM 0 H LYS A 44 8.598 -2.565 12.342 1.00 0.00 H new ATOM 0 HA LYS A 44 6.461 -0.672 13.071 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.137 -1.077 14.402 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.489 0.547 14.276 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.632 -1.546 15.321 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.977 -1.106 16.354 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.129 0.332 16.924 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.323 1.315 16.100 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.110 1.853 15.234 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.052 1.083 13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.740 0.250 14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.914 -0.969 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.133 -0.384 15.710 1.00 0.00 H new ATOM 711 N LEU A 45 7.863 -0.492 10.622 1.00 0.00 N ATOM 712 CA LEU A 45 8.356 0.214 9.445 1.00 0.00 C ATOM 713 C LEU A 45 8.121 1.716 9.572 1.00 0.00 C ATOM 714 O LEU A 45 7.190 2.154 10.249 1.00 0.00 O ATOM 715 CB LEU A 45 7.670 -0.315 8.184 1.00 0.00 C ATOM 716 CG LEU A 45 8.286 -1.568 7.560 1.00 0.00 C ATOM 717 CD1 LEU A 45 9.564 -1.219 6.813 1.00 0.00 C ATOM 718 CD2 LEU A 45 8.560 -2.616 8.629 1.00 0.00 C ATOM 0 H LEU A 45 7.330 -1.336 10.414 1.00 0.00 H new ATOM 0 HA LEU A 45 9.429 0.038 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.628 -0.527 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.670 0.477 7.435 1.00 0.00 H new ATOM 0 HG LEU A 45 7.574 -1.983 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.988 -2.123 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.339 -0.504 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.282 -0.780 7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.998 -3.501 8.167 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.253 -2.211 9.367 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.626 -2.888 9.120 1.00 0.00 H new ATOM 730 N LEU A 46 8.970 2.500 8.917 1.00 0.00 N ATOM 731 CA LEU A 46 8.855 3.954 8.955 1.00 0.00 C ATOM 732 C LEU A 46 7.842 4.447 7.926 1.00 0.00 C ATOM 733 O LEU A 46 7.422 5.602 7.958 1.00 0.00 O ATOM 734 CB LEU A 46 10.217 4.600 8.698 1.00 0.00 C ATOM 735 CG LEU A 46 10.442 5.155 7.291 1.00 0.00 C ATOM 736 CD1 LEU A 46 11.769 5.893 7.214 1.00 0.00 C ATOM 737 CD2 LEU A 46 10.391 4.035 6.262 1.00 0.00 C ATOM 0 H LEU A 46 9.746 2.153 8.353 1.00 0.00 H new ATOM 0 HA LEU A 46 8.506 4.241 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.352 5.412 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.992 3.861 8.904 1.00 0.00 H new ATOM 0 HG LEU A 46 9.644 5.863 7.068 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.912 6.281 6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.767 6.720 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.581 5.208 7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.553 4.448 5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.168 3.303 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.415 3.551 6.299 1.00 0.00 H new ATOM 749 N GLY A 47 7.453 3.560 7.014 1.00 0.00 N ATOM 750 CA GLY A 47 6.492 3.924 5.990 1.00 0.00 C ATOM 751 C GLY A 47 6.045 2.733 5.166 1.00 0.00 C ATOM 752 O GLY A 47 4.855 2.567 4.895 1.00 0.00 O ATOM 0 H GLY A 47 7.786 2.597 6.967 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.622 4.384 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.933 4.673 5.332 1.00 0.00 H new ATOM 756 N LEU A 48 7.000 1.902 4.764 1.00 0.00 N ATOM 757 CA LEU A 48 6.699 0.720 3.963 1.00 0.00 C ATOM 758 C LEU A 48 5.829 -0.260 4.745 1.00 0.00 C ATOM 759 O LEU A 48 5.883 -0.311 5.974 1.00 0.00 O ATOM 760 CB LEU A 48 7.994 0.033 3.526 1.00 0.00 C ATOM 761 CG LEU A 48 7.844 -1.375 2.947 1.00 0.00 C ATOM 762 CD1 LEU A 48 7.103 -1.331 1.620 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.208 -2.029 2.777 1.00 0.00 C ATOM 0 H LEU A 48 7.989 2.024 4.979 1.00 0.00 H new ATOM 0 HA LEU A 48 6.149 1.041 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.481 0.661 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.663 -0.018 4.385 1.00 0.00 H new ATOM 0 HG LEU A 48 7.260 -1.974 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.006 -2.342 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.112 -0.904 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.659 -0.716 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.083 -3.030 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.817 -1.430 2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.703 -2.096 3.746 1.00 0.00 H new ATOM 775 N LYS A 49 5.029 -1.038 4.024 1.00 0.00 N ATOM 776 CA LYS A 49 4.150 -2.020 4.648 1.00 0.00 C ATOM 777 C LYS A 49 3.185 -1.347 5.619 1.00 0.00 C ATOM 778 O LYS A 49 3.319 -1.480 6.835 1.00 0.00 O ATOM 779 CB LYS A 49 4.975 -3.079 5.383 1.00 0.00 C ATOM 780 CG LYS A 49 5.418 -4.229 4.495 1.00 0.00 C ATOM 781 CD LYS A 49 4.439 -5.389 4.554 1.00 0.00 C ATOM 782 CE LYS A 49 5.087 -6.689 4.104 1.00 0.00 C ATOM 783 NZ LYS A 49 5.323 -6.711 2.634 1.00 0.00 N ATOM 0 H LYS A 49 4.971 -1.008 3.006 1.00 0.00 H new ATOM 0 HA LYS A 49 3.569 -2.502 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.856 -2.605 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.387 -3.476 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.509 -3.881 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.406 -4.570 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.066 -5.500 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.578 -5.172 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.035 -6.822 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.449 -7.528 4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.766 -7.613 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.416 -6.609 2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.952 -5.926 2.372 1.00 0.00 H new ATOM 797 N VAL A 50 2.212 -0.624 5.073 1.00 0.00 N ATOM 798 CA VAL A 50 1.223 0.068 5.891 1.00 0.00 C ATOM 799 C VAL A 50 0.197 -0.909 6.456 1.00 0.00 C ATOM 800 O VAL A 50 -0.343 -1.746 5.733 1.00 0.00 O ATOM 801 CB VAL A 50 0.490 1.156 5.085 1.00 0.00 C ATOM 802 CG1 VAL A 50 -0.106 0.570 3.815 1.00 0.00 C ATOM 803 CG2 VAL A 50 -0.587 1.814 5.935 1.00 0.00 C ATOM 0 H VAL A 50 2.088 -0.502 4.068 1.00 0.00 H new ATOM 0 HA VAL A 50 1.764 0.538 6.712 1.00 0.00 H new ATOM 0 HB VAL A 50 1.213 1.920 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.620 1.354 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.690 0.151 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.816 -0.215 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.095 2.580 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.309 1.062 6.253 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.129 2.271 6.812 1.00 0.00 H new ATOM 813 N LYS A 51 -0.068 -0.795 7.753 1.00 0.00 N ATOM 814 CA LYS A 51 -1.031 -1.666 8.417 1.00 0.00 C ATOM 815 C LYS A 51 -2.445 -1.399 7.910 1.00 0.00 C ATOM 816 O LYS A 51 -2.830 -0.252 7.691 1.00 0.00 O ATOM 817 CB LYS A 51 -0.974 -1.462 9.932 1.00 0.00 C ATOM 818 CG LYS A 51 -1.767 -0.260 10.415 1.00 0.00 C ATOM 819 CD LYS A 51 -1.196 1.039 9.871 1.00 0.00 C ATOM 820 CE LYS A 51 -1.919 2.248 10.444 1.00 0.00 C ATOM 821 NZ LYS A 51 -1.725 3.461 9.601 1.00 0.00 N ATOM 0 H LYS A 51 0.371 -0.108 8.366 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.770 -2.699 8.186 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.352 -2.358 10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.066 -1.346 10.235 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.807 -0.360 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.761 -0.233 11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.135 1.100 10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.277 1.046 8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.984 2.029 10.526 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.555 2.445 11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.233 4.263 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.711 3.685 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.095 3.283 8.646 1.00 0.00 H new ATOM 835 N GLY A 52 -3.215 -2.468 7.728 1.00 0.00 N ATOM 836 CA GLY A 52 -4.578 -2.327 7.250 1.00 0.00 C ATOM 837 C GLY A 52 -4.659 -2.259 5.738 1.00 0.00 C ATOM 838 O GLY A 52 -5.747 -2.294 5.164 1.00 0.00 O ATOM 0 H GLY A 52 -2.919 -3.428 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.173 -3.169 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.017 -1.424 7.675 1.00 0.00 H new ATOM 842 N LYS A 53 -3.503 -2.159 5.090 1.00 0.00 N ATOM 843 CA LYS A 53 -3.446 -2.085 3.635 1.00 0.00 C ATOM 844 C LYS A 53 -2.102 -2.588 3.117 1.00 0.00 C ATOM 845 O LYS A 53 -1.288 -1.828 2.592 1.00 0.00 O ATOM 846 CB LYS A 53 -3.678 -0.646 3.167 1.00 0.00 C ATOM 847 CG LYS A 53 -5.124 -0.195 3.283 1.00 0.00 C ATOM 848 CD LYS A 53 -5.419 0.974 2.359 1.00 0.00 C ATOM 849 CE LYS A 53 -4.957 2.292 2.961 1.00 0.00 C ATOM 850 NZ LYS A 53 -5.894 2.781 4.011 1.00 0.00 N ATOM 0 H LYS A 53 -2.593 -2.127 5.550 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.233 -2.723 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.049 0.024 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.360 -0.555 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.786 -1.027 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.335 0.092 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.922 0.816 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.490 1.020 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.963 2.166 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.871 3.041 2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.600 3.728 4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.857 2.828 3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.879 2.128 4.821 1.00 0.00 H new ATOM 864 N PRO A 54 -1.863 -3.899 3.265 1.00 0.00 N ATOM 865 CA PRO A 54 -0.620 -4.533 2.817 1.00 0.00 C ATOM 866 C PRO A 54 -0.511 -4.586 1.297 1.00 0.00 C ATOM 867 O PRO A 54 -1.480 -4.901 0.607 1.00 0.00 O ATOM 868 CB PRO A 54 -0.714 -5.947 3.396 1.00 0.00 C ATOM 869 CG PRO A 54 -2.174 -6.196 3.551 1.00 0.00 C ATOM 870 CD PRO A 54 -2.789 -4.864 3.882 1.00 0.00 C ATOM 0 HA PRO A 54 0.260 -3.981 3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.256 -6.679 2.730 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.196 -6.018 4.353 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.599 -6.605 2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.364 -6.921 4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.795 -4.773 3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.867 -4.714 4.959 1.00 0.00 H new ATOM 878 N ALA A 55 0.674 -4.275 0.782 1.00 0.00 N ATOM 879 CA ALA A 55 0.909 -4.290 -0.657 1.00 0.00 C ATOM 880 C ALA A 55 0.455 -5.608 -1.274 1.00 0.00 C ATOM 881 O ALA A 55 0.635 -6.674 -0.686 1.00 0.00 O ATOM 882 CB ALA A 55 2.381 -4.046 -0.954 1.00 0.00 C ATOM 0 H ALA A 55 1.486 -4.010 1.339 1.00 0.00 H new ATOM 0 HA ALA A 55 0.321 -3.488 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.542 -4.060 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.677 -3.075 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.981 -4.828 -0.488 1.00 0.00 H new ATOM 888 N GLU A 56 -0.136 -5.528 -2.462 1.00 0.00 N ATOM 889 CA GLU A 56 -0.617 -6.716 -3.157 1.00 0.00 C ATOM 890 C GLU A 56 0.384 -7.170 -4.216 1.00 0.00 C ATOM 891 O GLU A 56 1.249 -6.403 -4.636 1.00 0.00 O ATOM 892 CB GLU A 56 -1.974 -6.438 -3.809 1.00 0.00 C ATOM 893 CG GLU A 56 -2.893 -7.648 -3.840 1.00 0.00 C ATOM 894 CD GLU A 56 -3.988 -7.577 -2.794 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.662 -7.378 -1.606 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.172 -7.720 -3.165 1.00 0.00 O ATOM 0 H GLU A 56 -0.293 -4.653 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.730 -7.514 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.468 -5.630 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.813 -6.088 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.345 -7.731 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.303 -8.551 -3.682 1.00 0.00 H new ATOM 903 N ASN A 57 0.259 -8.423 -4.641 1.00 0.00 N ATOM 904 CA ASN A 57 1.153 -8.981 -5.649 1.00 0.00 C ATOM 905 C ASN A 57 1.092 -8.168 -6.939 1.00 0.00 C ATOM 906 O ASN A 57 2.009 -8.217 -7.759 1.00 0.00 O ATOM 907 CB ASN A 57 0.788 -10.439 -5.934 1.00 0.00 C ATOM 908 CG ASN A 57 -0.308 -10.568 -6.974 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.399 -10.019 -6.814 1.00 0.00 O ATOM 910 ND2 ASN A 57 -0.023 -11.297 -8.047 1.00 0.00 N ATOM 0 H ASN A 57 -0.453 -9.071 -4.303 1.00 0.00 H new ATOM 0 HA ASN A 57 2.171 -8.938 -5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.675 -10.972 -6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.466 -10.917 -5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.721 -11.420 -8.780 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.894 -11.734 -8.138 1.00 0.00 H new ATOM 917 N ASP A 58 0.007 -7.422 -7.111 1.00 0.00 N ATOM 918 CA ASP A 58 -0.174 -6.597 -8.300 1.00 0.00 C ATOM 919 C ASP A 58 1.037 -5.696 -8.525 1.00 0.00 C ATOM 920 O ASP A 58 1.341 -5.318 -9.656 1.00 0.00 O ATOM 921 CB ASP A 58 -1.440 -5.749 -8.171 1.00 0.00 C ATOM 922 CG ASP A 58 -2.700 -6.544 -8.450 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.583 -7.716 -8.866 1.00 0.00 O ATOM 924 OD2 ASP A 58 -3.804 -5.995 -8.251 1.00 0.00 O ATOM 0 H ASP A 58 -0.761 -7.371 -6.442 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.277 -7.259 -9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.493 -5.331 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.383 -4.909 -8.863 1.00 0.00 H new ATOM 929 N VAL A 59 1.723 -5.354 -7.439 1.00 0.00 N ATOM 930 CA VAL A 59 2.900 -4.497 -7.518 1.00 0.00 C ATOM 931 C VAL A 59 4.020 -5.172 -8.302 1.00 0.00 C ATOM 932 O VAL A 59 4.233 -6.379 -8.189 1.00 0.00 O ATOM 933 CB VAL A 59 3.421 -4.129 -6.116 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.674 -3.272 -6.219 1.00 0.00 C ATOM 935 CG2 VAL A 59 2.341 -3.414 -5.317 1.00 0.00 C ATOM 0 H VAL A 59 1.484 -5.657 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 59 2.595 -3.587 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 59 3.681 -5.049 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.027 -3.022 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.450 -3.824 -6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.444 -2.355 -6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.726 -3.161 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.048 -2.502 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.474 -4.066 -5.212 1.00 0.00 H new ATOM 945 N LYS A 60 4.734 -4.384 -9.099 1.00 0.00 N ATOM 946 CA LYS A 60 5.834 -4.903 -9.903 1.00 0.00 C ATOM 947 C LYS A 60 6.576 -3.770 -10.606 1.00 0.00 C ATOM 948 O LYS A 60 6.202 -2.603 -10.489 1.00 0.00 O ATOM 949 CB LYS A 60 5.311 -5.903 -10.936 1.00 0.00 C ATOM 950 CG LYS A 60 3.992 -5.491 -11.567 1.00 0.00 C ATOM 951 CD LYS A 60 4.010 -5.688 -13.074 1.00 0.00 C ATOM 952 CE LYS A 60 3.381 -7.015 -13.471 1.00 0.00 C ATOM 953 NZ LYS A 60 1.940 -7.077 -13.102 1.00 0.00 N ATOM 0 H LYS A 60 4.570 -3.383 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 60 6.530 -5.411 -9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.057 -6.026 -11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.188 -6.875 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.181 -6.076 -11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.789 -4.445 -11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.472 -4.871 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.038 -5.649 -13.435 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.487 -7.160 -14.546 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.916 -7.831 -12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.438 -7.701 -13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.845 -7.451 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.529 -6.123 -13.146 1.00 0.00 H new ATOM 967 N LEU A 61 7.627 -4.123 -11.339 1.00 0.00 N ATOM 968 CA LEU A 61 8.420 -3.135 -12.063 1.00 0.00 C ATOM 969 C LEU A 61 7.546 -2.332 -13.021 1.00 0.00 C ATOM 970 O LEU A 61 7.840 -1.176 -13.324 1.00 0.00 O ATOM 971 CB LEU A 61 9.545 -3.825 -12.837 1.00 0.00 C ATOM 972 CG LEU A 61 10.427 -2.914 -13.692 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.842 -3.465 -13.772 1.00 0.00 C ATOM 974 CD2 LEU A 61 9.836 -2.753 -15.085 1.00 0.00 C ATOM 0 H LEU A 61 7.949 -5.085 -11.448 1.00 0.00 H new ATOM 0 HA LEU A 61 8.855 -2.449 -11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.182 -4.349 -12.124 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.102 -4.582 -13.485 1.00 0.00 H new ATOM 0 HG LEU A 61 10.467 -1.932 -13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.456 -2.804 -14.384 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.265 -3.528 -12.769 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.821 -4.459 -14.220 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.477 -2.102 -15.679 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.765 -3.729 -15.565 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.842 -2.313 -15.010 1.00 0.00 H new ATOM 986 N GLY A 62 6.469 -2.952 -13.493 1.00 0.00 N ATOM 987 CA GLY A 62 5.568 -2.279 -14.410 1.00 0.00 C ATOM 988 C GLY A 62 4.445 -1.556 -13.694 1.00 0.00 C ATOM 989 O GLY A 62 3.391 -1.300 -14.276 1.00 0.00 O ATOM 0 H GLY A 62 6.204 -3.908 -13.257 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.132 -1.564 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.144 -3.009 -15.100 1.00 0.00 H new ATOM 993 N ALA A 63 4.669 -1.228 -12.425 1.00 0.00 N ATOM 994 CA ALA A 63 3.667 -0.530 -11.628 1.00 0.00 C ATOM 995 C ALA A 63 4.284 0.647 -10.880 1.00 0.00 C ATOM 996 O ALA A 63 3.686 1.720 -10.791 1.00 0.00 O ATOM 997 CB ALA A 63 3.007 -1.492 -10.652 1.00 0.00 C ATOM 0 H ALA A 63 5.535 -1.434 -11.927 1.00 0.00 H new ATOM 0 HA ALA A 63 2.907 -0.138 -12.304 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.261 -0.958 -10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.524 -2.297 -11.205 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.762 -1.911 -9.987 1.00 0.00 H new ATOM 1003 N LEU A 64 5.481 0.439 -10.344 1.00 0.00 N ATOM 1004 CA LEU A 64 6.179 1.483 -9.602 1.00 0.00 C ATOM 1005 C LEU A 64 7.668 1.485 -9.933 1.00 0.00 C ATOM 1006 O LEU A 64 8.482 0.944 -9.184 1.00 0.00 O ATOM 1007 CB LEU A 64 5.979 1.288 -8.098 1.00 0.00 C ATOM 1008 CG LEU A 64 5.499 -0.096 -7.658 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.533 -1.155 -8.007 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.203 -0.108 -6.166 1.00 0.00 C ATOM 0 H LEU A 64 5.989 -0.443 -10.409 1.00 0.00 H new ATOM 0 HA LEU A 64 5.760 2.445 -9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.923 1.500 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.259 2.028 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 64 4.578 -0.327 -8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.174 -2.133 -7.687 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.696 -1.163 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.471 -0.929 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.863 -1.100 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.108 0.145 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.426 0.623 -5.943 1.00 0.00 H new ATOM 1022 N LYS A 65 8.018 2.097 -11.059 1.00 0.00 N ATOM 1023 CA LYS A 65 9.409 2.173 -11.488 1.00 0.00 C ATOM 1024 C LYS A 65 10.167 3.231 -10.694 1.00 0.00 C ATOM 1025 O LYS A 65 10.823 4.102 -11.267 1.00 0.00 O ATOM 1026 CB LYS A 65 9.486 2.491 -12.983 1.00 0.00 C ATOM 1027 CG LYS A 65 8.678 1.540 -13.850 1.00 0.00 C ATOM 1028 CD LYS A 65 8.508 2.078 -15.260 1.00 0.00 C ATOM 1029 CE LYS A 65 7.565 1.209 -16.078 1.00 0.00 C ATOM 1030 NZ LYS A 65 7.214 1.844 -17.379 1.00 0.00 N ATOM 0 H LYS A 65 7.357 2.548 -11.691 1.00 0.00 H new ATOM 0 HA LYS A 65 9.873 1.204 -11.304 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.133 3.509 -13.148 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.529 2.460 -13.299 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.174 0.570 -13.887 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.698 1.380 -13.400 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.122 3.096 -15.218 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.479 2.126 -15.752 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.030 0.240 -16.260 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.655 1.023 -15.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.570 1.221 -17.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.747 2.757 -17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.079 1.998 -17.935 1.00 0.00 H new ATOM 1044 N LEU A 66 10.075 3.150 -9.371 1.00 0.00 N ATOM 1045 CA LEU A 66 10.754 4.100 -8.497 1.00 0.00 C ATOM 1046 C LEU A 66 12.236 3.761 -8.371 1.00 0.00 C ATOM 1047 O LEU A 66 12.729 2.836 -9.016 1.00 0.00 O ATOM 1048 CB LEU A 66 10.101 4.107 -7.113 1.00 0.00 C ATOM 1049 CG LEU A 66 9.413 5.409 -6.702 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.927 5.351 -7.021 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.632 5.684 -5.222 1.00 0.00 C ATOM 0 H LEU A 66 9.537 2.436 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 66 10.664 5.092 -8.940 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.365 3.304 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.865 3.874 -6.372 1.00 0.00 H new ATOM 0 HG LEU A 66 9.855 6.226 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.454 6.286 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.790 5.202 -8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.470 4.523 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.135 6.615 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.218 4.865 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.700 5.770 -5.022 1.00 0.00 H new ATOM 1063 N LYS A 67 12.941 4.515 -7.534 1.00 0.00 N ATOM 1064 CA LYS A 67 14.366 4.294 -7.320 1.00 0.00 C ATOM 1065 C LYS A 67 14.656 4.000 -5.851 1.00 0.00 C ATOM 1066 O LYS A 67 13.939 4.441 -4.952 1.00 0.00 O ATOM 1067 CB LYS A 67 15.167 5.516 -7.774 1.00 0.00 C ATOM 1068 CG LYS A 67 14.887 6.765 -6.957 1.00 0.00 C ATOM 1069 CD LYS A 67 13.747 7.576 -7.551 1.00 0.00 C ATOM 1070 CE LYS A 67 14.258 8.618 -8.535 1.00 0.00 C ATOM 1071 NZ LYS A 67 15.170 9.598 -7.881 1.00 0.00 N ATOM 0 H LYS A 67 12.548 5.285 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 67 14.667 3.430 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.231 5.285 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.942 5.719 -8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.640 6.483 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.786 7.379 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.049 6.909 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.195 8.069 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.784 8.121 -9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.413 9.147 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.820 10.563 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.202 9.413 -6.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.126 9.503 -8.280 1.00 0.00 H new ATOM 1085 N PRO A 68 15.732 3.240 -5.600 1.00 0.00 N ATOM 1086 CA PRO A 68 16.142 2.873 -4.241 1.00 0.00 C ATOM 1087 C PRO A 68 16.679 4.065 -3.456 1.00 0.00 C ATOM 1088 O PRO A 68 16.857 3.990 -2.241 1.00 0.00 O ATOM 1089 CB PRO A 68 17.249 1.841 -4.471 1.00 0.00 C ATOM 1090 CG PRO A 68 17.793 2.164 -5.820 1.00 0.00 C ATOM 1091 CD PRO A 68 16.631 2.680 -6.623 1.00 0.00 C ATOM 0 HA PRO A 68 15.306 2.497 -3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.021 1.912 -3.705 1.00 0.00 H new ATOM 0 HB3 PRO A 68 16.857 0.825 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.584 2.911 -5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.228 1.280 -6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.944 3.438 -7.341 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.149 1.883 -7.189 1.00 0.00 H new ATOM 1099 N ASN A 69 16.935 5.163 -4.158 1.00 0.00 N ATOM 1100 CA ASN A 69 17.452 6.372 -3.526 1.00 0.00 C ATOM 1101 C ASN A 69 16.593 6.770 -2.330 1.00 0.00 C ATOM 1102 O ASN A 69 17.084 7.360 -1.367 1.00 0.00 O ATOM 1103 CB ASN A 69 17.503 7.519 -4.537 1.00 0.00 C ATOM 1104 CG ASN A 69 18.528 8.573 -4.164 1.00 0.00 C ATOM 1105 OD1 ASN A 69 18.202 9.575 -3.528 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.776 8.350 -4.559 1.00 0.00 N ATOM 0 H ASN A 69 16.793 5.241 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 69 18.462 6.164 -3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.739 7.120 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.519 7.982 -4.607 1.00 0.00 H new ATOM 0 HD21 ASN A 69 20.509 9.023 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 69 20.001 7.505 -5.084 1.00 0.00 H new ATOM 1113 N THR A 70 15.306 6.444 -2.398 1.00 0.00 N ATOM 1114 CA THR A 70 14.378 6.768 -1.322 1.00 0.00 C ATOM 1115 C THR A 70 14.891 6.258 0.019 1.00 0.00 C ATOM 1116 O THR A 70 14.811 6.954 1.032 1.00 0.00 O ATOM 1117 CB THR A 70 12.982 6.170 -1.585 1.00 0.00 C ATOM 1118 OG1 THR A 70 12.138 6.378 -0.448 1.00 0.00 O ATOM 1119 CG2 THR A 70 13.079 4.683 -1.887 1.00 0.00 C ATOM 0 H THR A 70 14.883 5.956 -3.187 1.00 0.00 H new ATOM 0 HA THR A 70 14.300 7.855 -1.289 1.00 0.00 H new ATOM 0 HB THR A 70 12.553 6.673 -2.452 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.752 5.522 -0.166 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.082 4.283 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.698 4.531 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.527 4.168 -1.037 1.00 0.00 H new ATOM 1127 N LYS A 71 15.420 5.039 0.021 1.00 0.00 N ATOM 1128 CA LYS A 71 15.950 4.435 1.238 1.00 0.00 C ATOM 1129 C LYS A 71 14.845 4.234 2.270 1.00 0.00 C ATOM 1130 O LYS A 71 14.188 5.190 2.684 1.00 0.00 O ATOM 1131 CB LYS A 71 17.058 5.311 1.826 1.00 0.00 C ATOM 1132 CG LYS A 71 18.457 4.855 1.451 1.00 0.00 C ATOM 1133 CD LYS A 71 19.505 5.880 1.852 1.00 0.00 C ATOM 1134 CE LYS A 71 20.700 5.853 0.911 1.00 0.00 C ATOM 1135 NZ LYS A 71 21.789 4.977 1.424 1.00 0.00 N ATOM 0 H LYS A 71 15.493 4.449 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 71 16.365 3.461 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.916 6.337 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.966 5.318 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.673 3.904 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.508 4.683 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.061 6.876 1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.838 5.682 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.382 5.500 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.081 6.866 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.585 4.985 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.110 5.328 2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.433 4.005 1.527 1.00 0.00 H new ATOM 1149 N ILE A 72 14.647 2.986 2.683 1.00 0.00 N ATOM 1150 CA ILE A 72 13.624 2.662 3.669 1.00 0.00 C ATOM 1151 C ILE A 72 14.251 2.238 4.993 1.00 0.00 C ATOM 1152 O ILE A 72 15.313 1.616 5.017 1.00 0.00 O ATOM 1153 CB ILE A 72 12.698 1.537 3.169 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.553 1.312 4.159 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.487 0.253 2.963 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.867 0.283 5.222 1.00 0.00 C ATOM 0 H ILE A 72 15.181 2.184 2.350 1.00 0.00 H new ATOM 0 HA ILE A 72 13.035 3.566 3.822 1.00 0.00 H new ATOM 0 HB ILE A 72 12.272 1.836 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.310 2.258 4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.666 0.997 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.819 -0.532 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.271 0.422 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.938 -0.052 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.011 0.175 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.081 -0.675 4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.735 0.606 5.796 1.00 0.00 H new ATOM 1168 N MET A 73 13.586 2.577 6.092 1.00 0.00 N ATOM 1169 CA MET A 73 14.077 2.229 7.420 1.00 0.00 C ATOM 1170 C MET A 73 13.197 1.161 8.062 1.00 0.00 C ATOM 1171 O MET A 73 12.001 1.367 8.263 1.00 0.00 O ATOM 1172 CB MET A 73 14.124 3.471 8.312 1.00 0.00 C ATOM 1173 CG MET A 73 15.141 4.506 7.860 1.00 0.00 C ATOM 1174 SD MET A 73 16.826 4.079 8.341 1.00 0.00 S ATOM 1175 CE MET A 73 17.739 4.632 6.902 1.00 0.00 C ATOM 0 H MET A 73 12.706 3.092 6.089 1.00 0.00 H new ATOM 0 HA MET A 73 15.085 1.829 7.314 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.136 3.930 8.334 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.357 3.167 9.332 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.092 4.609 6.776 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.881 5.475 8.285 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.801 4.436 7.047 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.388 4.096 6.020 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.584 5.702 6.762 1.00 0.00 H new ATOM 1185 N MET A 74 13.798 0.019 8.381 1.00 0.00 N ATOM 1186 CA MET A 74 13.068 -1.081 9.001 1.00 0.00 C ATOM 1187 C MET A 74 13.444 -1.222 10.472 1.00 0.00 C ATOM 1188 O MET A 74 14.621 -1.339 10.813 1.00 0.00 O ATOM 1189 CB MET A 74 13.352 -2.390 8.262 1.00 0.00 C ATOM 1190 CG MET A 74 12.150 -2.934 7.506 1.00 0.00 C ATOM 1191 SD MET A 74 12.278 -4.702 7.178 1.00 0.00 S ATOM 1192 CE MET A 74 10.955 -4.923 5.991 1.00 0.00 C ATOM 0 H MET A 74 14.788 -0.169 8.221 1.00 0.00 H new ATOM 0 HA MET A 74 12.003 -0.859 8.936 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.171 -2.231 7.560 1.00 0.00 H new ATOM 0 HB3 MET A 74 13.688 -3.138 8.980 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.245 -2.740 8.082 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.047 -2.400 6.562 1.00 0.00 H new ATOM 0 HE1 MET A 74 11.089 -5.870 5.469 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.997 -4.927 6.511 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.973 -4.106 5.270 1.00 0.00 H new ATOM 1202 N MET A 75 12.438 -1.211 11.340 1.00 0.00 N ATOM 1203 CA MET A 75 12.665 -1.338 12.775 1.00 0.00 C ATOM 1204 C MET A 75 11.623 -2.254 13.410 1.00 0.00 C ATOM 1205 O MET A 75 10.570 -2.510 12.828 1.00 0.00 O ATOM 1206 CB MET A 75 12.627 0.037 13.443 1.00 0.00 C ATOM 1207 CG MET A 75 11.442 0.889 13.015 1.00 0.00 C ATOM 1208 SD MET A 75 11.563 2.590 13.599 1.00 0.00 S ATOM 1209 CE MET A 75 11.211 2.376 15.342 1.00 0.00 C ATOM 0 H MET A 75 11.458 -1.115 11.075 1.00 0.00 H new ATOM 0 HA MET A 75 13.651 -1.779 12.924 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.598 -0.094 14.525 1.00 0.00 H new ATOM 0 HB3 MET A 75 13.549 0.570 13.212 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.372 0.887 11.927 1.00 0.00 H new ATOM 0 HG3 MET A 75 10.523 0.443 13.395 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.178 3.351 15.829 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.248 1.879 15.460 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.992 1.768 15.799 1.00 0.00 H new ATOM 1219 N GLY A 76 11.926 -2.745 14.608 1.00 0.00 N ATOM 1220 CA GLY A 76 11.006 -3.627 15.302 1.00 0.00 C ATOM 1221 C GLY A 76 10.777 -4.928 14.558 1.00 0.00 C ATOM 1222 O GLY A 76 9.842 -5.670 14.861 1.00 0.00 O ATOM 0 H GLY A 76 12.792 -2.548 15.110 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.396 -3.845 16.296 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.052 -3.117 15.438 1.00 0.00 H new ATOM 1226 N THR A 77 11.630 -5.205 13.577 1.00 0.00 N ATOM 1227 CA THR A 77 11.515 -6.422 12.784 1.00 0.00 C ATOM 1228 C THR A 77 12.525 -7.471 13.237 1.00 0.00 C ATOM 1229 O THR A 77 13.395 -7.880 12.469 1.00 0.00 O ATOM 1230 CB THR A 77 11.723 -6.139 11.285 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.003 -5.531 11.075 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.629 -5.228 10.749 1.00 0.00 C ATOM 0 H THR A 77 12.409 -4.602 13.313 1.00 0.00 H new ATOM 0 HA THR A 77 10.505 -6.804 12.936 1.00 0.00 H new ATOM 0 HB THR A 77 11.679 -7.087 10.749 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.706 -6.121 11.419 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.797 -5.042 9.688 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.659 -5.706 10.884 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.646 -4.282 11.290 1.00 0.00 H new ATOM 1240 N ARG A 78 12.403 -7.902 14.488 1.00 0.00 N ATOM 1241 CA ARG A 78 13.306 -8.903 15.043 1.00 0.00 C ATOM 1242 C ARG A 78 13.381 -10.129 14.137 1.00 0.00 C ATOM 1243 O ARG A 78 12.397 -10.848 13.968 1.00 0.00 O ATOM 1244 CB ARG A 78 12.846 -9.317 16.442 1.00 0.00 C ATOM 1245 CG ARG A 78 13.831 -10.221 17.164 1.00 0.00 C ATOM 1246 CD ARG A 78 15.179 -9.543 17.348 1.00 0.00 C ATOM 1247 NE ARG A 78 15.949 -10.140 18.437 1.00 0.00 N ATOM 1248 CZ ARG A 78 17.089 -9.634 18.894 1.00 0.00 C ATOM 1249 NH1 ARG A 78 17.589 -8.528 18.361 1.00 0.00 N ATOM 1250 NH2 ARG A 78 17.731 -10.235 19.888 1.00 0.00 N ATOM 0 H ARG A 78 11.688 -7.574 15.137 1.00 0.00 H new ATOM 0 HA ARG A 78 14.300 -8.461 15.111 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.681 -8.421 17.041 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.887 -9.829 16.363 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.426 -10.498 18.137 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.961 -11.144 16.599 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.749 -9.612 16.421 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.027 -8.483 17.551 1.00 0.00 H new ATOM 0 HE ARG A 78 15.592 -10.992 18.870 1.00 0.00 H new ATOM 0 HH11 ARG A 78 17.098 -8.063 17.597 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.465 -8.142 18.714 1.00 0.00 H new ATOM 0 HH21 ARG A 78 17.349 -11.086 20.301 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.606 -9.846 20.239 1.00 0.00 H new ATOM 1264 N GLU A 79 14.555 -10.359 13.558 1.00 0.00 N ATOM 1265 CA GLU A 79 14.757 -11.497 12.669 1.00 0.00 C ATOM 1266 C GLU A 79 14.779 -12.805 13.455 1.00 0.00 C ATOM 1267 O GLU A 79 14.533 -13.877 12.903 1.00 0.00 O ATOM 1268 CB GLU A 79 16.063 -11.337 11.887 1.00 0.00 C ATOM 1269 CG GLU A 79 16.344 -12.483 10.929 1.00 0.00 C ATOM 1270 CD GLU A 79 17.228 -12.069 9.769 1.00 0.00 C ATOM 1271 OE1 GLU A 79 16.726 -11.382 8.855 1.00 0.00 O ATOM 1272 OE2 GLU A 79 18.423 -12.433 9.775 1.00 0.00 O ATOM 0 H GLU A 79 15.380 -9.773 13.688 1.00 0.00 H new ATOM 0 HA GLU A 79 13.923 -11.529 11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 79 16.027 -10.404 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.890 -11.253 12.592 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.822 -13.298 11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.400 -12.868 10.543 1.00 0.00 H new ATOM 1279 N GLU A 80 15.077 -12.707 14.747 1.00 0.00 N ATOM 1280 CA GLU A 80 15.133 -13.882 15.608 1.00 0.00 C ATOM 1281 C GLU A 80 13.749 -14.222 16.155 1.00 0.00 C ATOM 1282 O GLU A 80 13.186 -13.477 16.957 1.00 0.00 O ATOM 1283 CB GLU A 80 16.107 -13.648 16.765 1.00 0.00 C ATOM 1284 CG GLU A 80 17.568 -13.728 16.356 1.00 0.00 C ATOM 1285 CD GLU A 80 18.502 -13.826 17.546 1.00 0.00 C ATOM 1286 OE1 GLU A 80 18.850 -12.769 18.115 1.00 0.00 O ATOM 1287 OE2 GLU A 80 18.886 -14.957 17.909 1.00 0.00 O ATOM 0 H GLU A 80 15.283 -11.827 15.220 1.00 0.00 H new ATOM 0 HA GLU A 80 15.485 -14.723 15.010 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.913 -12.667 17.199 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.916 -14.385 17.545 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.714 -14.595 15.712 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.826 -12.847 15.768 1.00 0.00 H new ATOM 1294 N SER A 81 13.207 -15.353 15.715 1.00 0.00 N ATOM 1295 CA SER A 81 11.888 -15.791 16.156 1.00 0.00 C ATOM 1296 C SER A 81 11.994 -16.670 17.398 1.00 0.00 C ATOM 1297 O SER A 81 11.918 -17.894 17.312 1.00 0.00 O ATOM 1298 CB SER A 81 11.180 -16.555 15.035 1.00 0.00 C ATOM 1299 OG SER A 81 10.908 -15.707 13.933 1.00 0.00 O ATOM 0 H SER A 81 13.661 -15.983 15.053 1.00 0.00 H new ATOM 0 HA SER A 81 11.304 -14.906 16.408 1.00 0.00 H new ATOM 0 HB2 SER A 81 11.801 -17.390 14.711 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.248 -16.978 15.411 1.00 0.00 H new ATOM 0 HG SER A 81 10.457 -16.219 13.230 1.00 0.00 H new TER 1305 SER A 81