USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot -36:sc= 1.08 USER MOD Set 1.2: A 42 MET CE :methyl 158:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -62:sc= 0.0787 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.591 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 117:sc= 0.989 USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= 0.00812 (180deg=0) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.664 F(o=-0.012,f=0.66) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.408 F(o=-3.7,f=-0.41) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.652 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.376 K(o=-0.38,f=-3.5!) USER MOD Single : A 67 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.89) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.849 -3.672 1.824 1.00 0.00 N ATOM 2 CA MET A 1 -18.546 -5.132 1.805 1.00 0.00 C ATOM 3 C MET A 1 -18.706 -5.723 3.209 1.00 0.00 C ATOM 4 O MET A 1 -17.853 -5.565 4.060 1.00 0.00 O ATOM 5 CB MET A 1 -17.091 -5.228 1.344 1.00 0.00 C ATOM 6 CG MET A 1 -17.030 -5.090 -0.178 1.00 0.00 C ATOM 7 SD MET A 1 -15.576 -5.966 -0.806 1.00 0.00 S ATOM 8 CE MET A 1 -15.022 -4.686 -1.959 1.00 0.00 C ATOM 0 H1 MET A 1 -18.737 -3.282 0.866 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.827 -3.525 2.146 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.194 -3.190 2.473 1.00 0.00 H new ATOM 0 HA MET A 1 -19.218 -5.686 1.149 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.496 -4.445 1.815 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.663 -6.182 1.651 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.936 -5.498 -0.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.982 -4.037 -0.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.118 -5.021 -2.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.803 -4.496 -2.695 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.810 -3.769 -1.410 1.00 0.00 H new ATOM 20 N GLU A 2 -19.793 -6.401 3.456 1.00 0.00 N ATOM 21 CA GLU A 2 -20.007 -7.000 4.805 1.00 0.00 C ATOM 22 C GLU A 2 -19.222 -8.309 4.931 1.00 0.00 C ATOM 23 O GLU A 2 -19.508 -9.282 4.262 1.00 0.00 O ATOM 24 CB GLU A 2 -21.510 -7.268 4.883 1.00 0.00 C ATOM 25 CG GLU A 2 -21.941 -7.346 6.349 1.00 0.00 C ATOM 26 CD GLU A 2 -22.740 -8.631 6.578 1.00 0.00 C ATOM 27 OE1 GLU A 2 -23.518 -8.983 5.706 1.00 0.00 O ATOM 28 OE2 GLU A 2 -22.559 -9.240 7.619 1.00 0.00 O ATOM 0 H GLU A 2 -20.542 -6.566 2.783 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.666 -6.346 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.058 -6.475 4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -21.751 -8.200 4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.065 -7.329 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.547 -6.477 6.608 1.00 0.00 H new ATOM 35 N ILE A 3 -18.233 -8.342 5.783 1.00 0.00 N ATOM 36 CA ILE A 3 -17.435 -9.592 5.946 1.00 0.00 C ATOM 37 C ILE A 3 -16.948 -9.736 7.390 1.00 0.00 C ATOM 38 O ILE A 3 -16.271 -8.878 7.920 1.00 0.00 O ATOM 39 CB ILE A 3 -16.249 -9.448 4.991 1.00 0.00 C ATOM 40 CG1 ILE A 3 -15.549 -8.106 5.230 1.00 0.00 C ATOM 41 CG2 ILE A 3 -16.752 -9.517 3.546 1.00 0.00 C ATOM 42 CD1 ILE A 3 -14.401 -7.940 4.232 1.00 0.00 C ATOM 0 H ILE A 3 -17.944 -7.561 6.371 1.00 0.00 H new ATOM 0 HA ILE A 3 -18.027 -10.480 5.724 1.00 0.00 H new ATOM 0 HB ILE A 3 -15.539 -10.256 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -16.261 -7.288 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -15.167 -8.060 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -15.909 -9.415 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -17.242 -10.476 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -17.463 -8.710 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.905 -6.985 4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -13.684 -8.750 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -14.795 -7.966 3.216 1.00 0.00 H new ATOM 54 N ASP A 4 -17.299 -10.815 8.030 1.00 0.00 N ATOM 55 CA ASP A 4 -16.866 -11.021 9.447 1.00 0.00 C ATOM 56 C ASP A 4 -16.932 -12.503 9.842 1.00 0.00 C ATOM 57 O ASP A 4 -16.862 -12.847 11.006 1.00 0.00 O ATOM 58 CB ASP A 4 -17.876 -10.227 10.261 1.00 0.00 C ATOM 59 CG ASP A 4 -17.564 -10.366 11.753 1.00 0.00 C ATOM 60 OD1 ASP A 4 -16.439 -10.710 12.074 1.00 0.00 O ATOM 61 OD2 ASP A 4 -18.456 -10.123 12.548 1.00 0.00 O ATOM 0 H ASP A 4 -17.867 -11.565 7.637 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.835 -10.705 9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.846 -9.177 9.970 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.885 -10.586 10.056 1.00 0.00 H new ATOM 66 N GLU A 5 -17.075 -13.378 8.892 1.00 0.00 N ATOM 67 CA GLU A 5 -17.155 -14.832 9.215 1.00 0.00 C ATOM 68 C GLU A 5 -15.761 -15.397 9.502 1.00 0.00 C ATOM 69 O GLU A 5 -15.232 -16.186 8.744 1.00 0.00 O ATOM 70 CB GLU A 5 -17.747 -15.481 7.964 1.00 0.00 C ATOM 71 CG GLU A 5 -16.859 -15.167 6.759 1.00 0.00 C ATOM 72 CD GLU A 5 -16.752 -16.406 5.868 1.00 0.00 C ATOM 73 OE1 GLU A 5 -17.767 -17.048 5.656 1.00 0.00 O ATOM 74 OE2 GLU A 5 -15.656 -16.691 5.413 1.00 0.00 O ATOM 0 H GLU A 5 -17.141 -13.151 7.900 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.759 -15.022 10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.823 -16.560 8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.757 -15.109 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -17.276 -14.334 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.868 -14.860 7.094 1.00 0.00 H new ATOM 81 N GLY A 6 -15.163 -15.003 10.594 1.00 0.00 N ATOM 82 CA GLY A 6 -13.807 -15.521 10.937 1.00 0.00 C ATOM 83 C GLY A 6 -12.868 -15.367 9.736 1.00 0.00 C ATOM 84 O GLY A 6 -11.929 -16.120 9.571 1.00 0.00 O ATOM 0 H GLY A 6 -15.556 -14.343 11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.407 -14.978 11.794 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.872 -16.570 11.226 1.00 0.00 H new ATOM 88 N LYS A 7 -13.111 -14.397 8.897 1.00 0.00 N ATOM 89 CA LYS A 7 -12.226 -14.201 7.712 1.00 0.00 C ATOM 90 C LYS A 7 -11.002 -13.372 8.106 1.00 0.00 C ATOM 91 O LYS A 7 -11.120 -12.327 8.717 1.00 0.00 O ATOM 92 CB LYS A 7 -13.083 -13.446 6.695 1.00 0.00 C ATOM 93 CG LYS A 7 -12.494 -13.633 5.294 1.00 0.00 C ATOM 94 CD LYS A 7 -13.550 -14.255 4.377 1.00 0.00 C ATOM 95 CE LYS A 7 -14.504 -13.164 3.889 1.00 0.00 C ATOM 96 NZ LYS A 7 -14.750 -13.483 2.454 1.00 0.00 N ATOM 0 H LYS A 7 -13.881 -13.733 8.980 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.857 -15.144 7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.108 -13.815 6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.118 -12.386 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.169 -12.673 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.614 -14.274 5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.070 -14.740 3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.104 -15.026 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.433 -13.167 4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.063 -12.174 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.397 -12.778 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.849 -13.466 1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.176 -14.429 2.377 1.00 0.00 H new ATOM 110 N TYR A 8 -9.827 -13.826 7.766 1.00 0.00 N ATOM 111 CA TYR A 8 -8.602 -13.054 8.132 1.00 0.00 C ATOM 112 C TYR A 8 -7.867 -12.592 6.872 1.00 0.00 C ATOM 113 O TYR A 8 -7.900 -13.244 5.848 1.00 0.00 O ATOM 114 CB TYR A 8 -7.736 -14.031 8.929 1.00 0.00 C ATOM 115 CG TYR A 8 -8.208 -14.068 10.362 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.422 -14.687 10.679 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.436 -13.481 11.371 1.00 0.00 C ATOM 118 CE1 TYR A 8 -9.866 -14.721 12.006 1.00 0.00 C ATOM 119 CE2 TYR A 8 -7.879 -13.514 12.699 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.095 -14.134 13.016 1.00 0.00 C ATOM 121 OH TYR A 8 -9.532 -14.166 14.324 1.00 0.00 O ATOM 0 H TYR A 8 -9.661 -14.692 7.254 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.839 -12.158 8.706 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.794 -15.027 8.490 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.691 -13.725 8.887 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.017 -15.139 9.899 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.499 -13.003 11.126 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.803 -15.200 12.250 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.284 -13.062 13.479 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.879 -13.715 14.898 1.00 0.00 H new ATOM 131 N GLU A 9 -7.203 -11.471 6.940 1.00 0.00 N ATOM 132 CA GLU A 9 -6.465 -10.966 5.746 1.00 0.00 C ATOM 133 C GLU A 9 -4.968 -10.856 6.053 1.00 0.00 C ATOM 134 O GLU A 9 -4.569 -10.284 7.049 1.00 0.00 O ATOM 135 CB GLU A 9 -7.058 -9.584 5.470 1.00 0.00 C ATOM 136 CG GLU A 9 -6.297 -8.920 4.321 1.00 0.00 C ATOM 137 CD GLU A 9 -5.352 -7.856 4.881 1.00 0.00 C ATOM 138 OE1 GLU A 9 -5.013 -7.949 6.049 1.00 0.00 O ATOM 139 OE2 GLU A 9 -4.984 -6.965 4.133 1.00 0.00 O ATOM 0 H GLU A 9 -7.139 -10.882 7.770 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.564 -11.632 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.114 -9.674 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.997 -8.965 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.731 -9.668 3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.998 -8.466 3.621 1.00 0.00 H new ATOM 146 N CYS A 10 -4.138 -11.396 5.204 1.00 0.00 N ATOM 147 CA CYS A 10 -2.666 -11.320 5.446 1.00 0.00 C ATOM 148 C CYS A 10 -2.158 -9.906 5.174 1.00 0.00 C ATOM 149 O CYS A 10 -2.172 -9.441 4.051 1.00 0.00 O ATOM 150 CB CYS A 10 -2.044 -12.284 4.440 1.00 0.00 C ATOM 151 SG CYS A 10 -0.393 -12.774 4.990 1.00 0.00 S ATOM 0 H CYS A 10 -4.413 -11.887 4.353 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.413 -11.571 6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.676 -13.165 4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.984 -11.811 3.460 1.00 0.00 H new ATOM 156 N GLU A 11 -1.686 -9.224 6.178 1.00 0.00 N ATOM 157 CA GLU A 11 -1.157 -7.852 5.942 1.00 0.00 C ATOM 158 C GLU A 11 0.159 -7.935 5.158 1.00 0.00 C ATOM 159 O GLU A 11 0.675 -6.943 4.684 1.00 0.00 O ATOM 160 CB GLU A 11 -0.913 -7.277 7.333 1.00 0.00 C ATOM 161 CG GLU A 11 -1.775 -6.028 7.528 1.00 0.00 C ATOM 162 CD GLU A 11 -1.926 -5.738 9.023 1.00 0.00 C ATOM 163 OE1 GLU A 11 -0.953 -5.905 9.740 1.00 0.00 O ATOM 164 OE2 GLU A 11 -3.011 -5.353 9.426 1.00 0.00 O ATOM 0 H GLU A 11 -1.643 -9.552 7.143 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.842 -7.233 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.154 -8.020 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.141 -7.027 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.317 -5.176 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.755 -6.176 7.075 1.00 0.00 H new ATOM 171 N ALA A 12 0.709 -9.115 5.033 1.00 0.00 N ATOM 172 CA ALA A 12 1.997 -9.268 4.298 1.00 0.00 C ATOM 173 C ALA A 12 1.771 -9.411 2.787 1.00 0.00 C ATOM 174 O ALA A 12 2.499 -8.841 1.997 1.00 0.00 O ATOM 175 CB ALA A 12 2.618 -10.545 4.862 1.00 0.00 C ATOM 0 H ALA A 12 0.320 -9.980 5.409 1.00 0.00 H new ATOM 0 HA ALA A 12 2.636 -8.395 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.574 -10.732 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.776 -10.430 5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.948 -11.386 4.682 1.00 0.00 H new ATOM 181 N CYS A 13 0.793 -10.175 2.365 1.00 0.00 N ATOM 182 CA CYS A 13 0.584 -10.336 0.896 1.00 0.00 C ATOM 183 C CYS A 13 -0.828 -9.898 0.479 1.00 0.00 C ATOM 184 O CYS A 13 -1.035 -9.415 -0.618 1.00 0.00 O ATOM 185 CB CYS A 13 0.842 -11.830 0.620 1.00 0.00 C ATOM 186 SG CYS A 13 -0.560 -12.852 1.155 1.00 0.00 S ATOM 0 H CYS A 13 0.142 -10.685 2.963 1.00 0.00 H new ATOM 0 HA CYS A 13 1.254 -9.705 0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.018 -11.980 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.746 -12.147 1.141 1.00 0.00 H new ATOM 191 N GLY A 14 -1.796 -10.051 1.338 1.00 0.00 N ATOM 192 CA GLY A 14 -3.181 -9.629 0.974 1.00 0.00 C ATOM 193 C GLY A 14 -4.060 -10.862 0.760 1.00 0.00 C ATOM 194 O GLY A 14 -5.069 -10.808 0.086 1.00 0.00 O ATOM 0 H GLY A 14 -1.692 -10.448 2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.600 -9.005 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.160 -9.024 0.067 1.00 0.00 H new ATOM 198 N TYR A 15 -3.689 -11.968 1.335 1.00 0.00 N ATOM 199 CA TYR A 15 -4.504 -13.204 1.173 1.00 0.00 C ATOM 200 C TYR A 15 -5.668 -13.183 2.167 1.00 0.00 C ATOM 201 O TYR A 15 -5.636 -12.486 3.161 1.00 0.00 O ATOM 202 CB TYR A 15 -3.539 -14.355 1.486 1.00 0.00 C ATOM 203 CG TYR A 15 -4.305 -15.656 1.585 1.00 0.00 C ATOM 204 CD1 TYR A 15 -4.825 -16.067 2.819 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.496 -16.446 0.446 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.538 -17.269 2.913 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.209 -17.648 0.541 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.729 -18.059 1.774 1.00 0.00 C ATOM 209 OH TYR A 15 -6.433 -19.244 1.867 1.00 0.00 O ATOM 0 H TYR A 15 -2.854 -12.072 1.912 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.935 -13.301 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.781 -14.428 0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.016 -14.159 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.676 -15.457 3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.094 -16.129 -0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.940 -17.586 3.864 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.358 -18.258 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.968 -19.854 2.478 1.00 0.00 H new ATOM 219 N ILE A 16 -6.695 -13.941 1.907 1.00 0.00 N ATOM 220 CA ILE A 16 -7.853 -13.962 2.842 1.00 0.00 C ATOM 221 C ILE A 16 -8.124 -15.392 3.308 1.00 0.00 C ATOM 222 O ILE A 16 -8.471 -16.257 2.528 1.00 0.00 O ATOM 223 CB ILE A 16 -9.031 -13.425 2.029 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.758 -11.970 1.647 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.314 -13.513 2.860 1.00 0.00 C ATOM 226 CD1 ILE A 16 -8.644 -11.110 2.910 1.00 0.00 C ATOM 0 H ILE A 16 -6.783 -14.545 1.090 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.675 -13.365 3.737 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.153 -14.021 1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.837 -11.904 1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.561 -11.595 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.152 -13.129 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.504 -14.553 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.201 -12.920 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.449 -10.075 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.576 -11.164 3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.825 -11.478 3.528 1.00 0.00 H new ATOM 238 N TYR A 17 -7.967 -15.647 4.574 1.00 0.00 N ATOM 239 CA TYR A 17 -8.211 -17.023 5.095 1.00 0.00 C ATOM 240 C TYR A 17 -9.709 -17.249 5.319 1.00 0.00 C ATOM 241 O TYR A 17 -10.401 -16.409 5.862 1.00 0.00 O ATOM 242 CB TYR A 17 -7.452 -17.089 6.423 1.00 0.00 C ATOM 243 CG TYR A 17 -7.772 -18.385 7.134 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.127 -19.568 6.758 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.719 -18.403 8.167 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.427 -20.768 7.414 1.00 0.00 C ATOM 247 CE2 TYR A 17 -9.019 -19.603 8.823 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.374 -20.786 8.446 1.00 0.00 C ATOM 249 OH TYR A 17 -8.668 -21.969 9.092 1.00 0.00 O ATOM 0 H TYR A 17 -7.680 -14.963 5.274 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.876 -17.791 4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.379 -17.018 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.726 -16.242 7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.398 -19.556 5.962 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.218 -17.490 8.457 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.928 -21.681 7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.748 -19.615 9.620 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.344 -21.806 9.782 1.00 0.00 H new ATOM 259 N GLU A 18 -10.207 -18.385 4.913 1.00 0.00 N ATOM 260 CA GLU A 18 -11.653 -18.683 5.106 1.00 0.00 C ATOM 261 C GLU A 18 -11.811 -19.865 6.076 1.00 0.00 C ATOM 262 O GLU A 18 -11.411 -20.969 5.766 1.00 0.00 O ATOM 263 CB GLU A 18 -12.170 -19.055 3.717 1.00 0.00 C ATOM 264 CG GLU A 18 -12.333 -17.784 2.879 1.00 0.00 C ATOM 265 CD GLU A 18 -13.566 -17.918 1.983 1.00 0.00 C ATOM 266 OE1 GLU A 18 -13.442 -18.511 0.923 1.00 0.00 O ATOM 267 OE2 GLU A 18 -14.613 -17.427 2.370 1.00 0.00 O ATOM 0 H GLU A 18 -9.672 -19.122 4.454 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.202 -17.841 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.475 -19.739 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.125 -19.575 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.437 -16.917 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.444 -17.621 2.270 1.00 0.00 H new ATOM 274 N PRO A 19 -12.383 -19.598 7.226 1.00 0.00 N ATOM 275 CA PRO A 19 -12.575 -20.667 8.239 1.00 0.00 C ATOM 276 C PRO A 19 -13.623 -21.686 7.789 1.00 0.00 C ATOM 277 O PRO A 19 -13.318 -22.835 7.541 1.00 0.00 O ATOM 278 CB PRO A 19 -13.039 -19.908 9.479 1.00 0.00 C ATOM 279 CG PRO A 19 -13.622 -18.627 8.971 1.00 0.00 C ATOM 280 CD PRO A 19 -12.901 -18.300 7.690 1.00 0.00 C ATOM 0 HA PRO A 19 -11.669 -21.248 8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.779 -20.482 10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.207 -19.718 10.157 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.693 -18.732 8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.495 -17.828 9.701 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.574 -17.854 6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.094 -17.586 7.858 1.00 0.00 H new ATOM 288 N GLU A 20 -14.853 -21.269 7.698 1.00 0.00 N ATOM 289 CA GLU A 20 -15.953 -22.195 7.277 1.00 0.00 C ATOM 290 C GLU A 20 -15.518 -23.074 6.096 1.00 0.00 C ATOM 291 O GLU A 20 -15.997 -24.178 5.926 1.00 0.00 O ATOM 292 CB GLU A 20 -17.101 -21.276 6.862 1.00 0.00 C ATOM 293 CG GLU A 20 -18.411 -22.068 6.860 1.00 0.00 C ATOM 294 CD GLU A 20 -19.267 -21.644 8.058 1.00 0.00 C ATOM 295 OE1 GLU A 20 -18.714 -21.077 8.985 1.00 0.00 O ATOM 296 OE2 GLU A 20 -20.460 -21.897 8.027 1.00 0.00 O ATOM 0 H GLU A 20 -15.152 -20.315 7.899 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.234 -22.878 8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.174 -20.433 7.550 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -16.911 -20.863 5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.954 -21.891 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.202 -23.137 6.909 1.00 0.00 H new ATOM 303 N LYS A 21 -14.615 -22.599 5.286 1.00 0.00 N ATOM 304 CA LYS A 21 -14.155 -23.414 4.126 1.00 0.00 C ATOM 305 C LYS A 21 -12.859 -24.151 4.476 1.00 0.00 C ATOM 306 O LYS A 21 -12.564 -25.199 3.938 1.00 0.00 O ATOM 307 CB LYS A 21 -13.913 -22.408 3.000 1.00 0.00 C ATOM 308 CG LYS A 21 -13.765 -23.154 1.672 1.00 0.00 C ATOM 309 CD LYS A 21 -15.022 -22.946 0.826 1.00 0.00 C ATOM 310 CE LYS A 21 -14.775 -23.466 -0.592 1.00 0.00 C ATOM 311 NZ LYS A 21 -15.666 -22.646 -1.462 1.00 0.00 N ATOM 0 H LYS A 21 -14.175 -21.683 5.376 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.885 -24.172 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.743 -21.703 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.014 -21.826 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.888 -22.791 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.609 -24.217 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.866 -23.470 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.282 -21.888 0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.729 -23.352 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.013 -24.527 -0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.554 -22.943 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.655 -22.780 -1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.411 -21.642 -1.371 1.00 0.00 H new ATOM 325 N GLY A 22 -12.086 -23.613 5.378 1.00 0.00 N ATOM 326 CA GLY A 22 -10.815 -24.287 5.762 1.00 0.00 C ATOM 327 C GLY A 22 -9.707 -23.896 4.781 1.00 0.00 C ATOM 328 O GLY A 22 -9.964 -23.463 3.675 1.00 0.00 O ATOM 0 H GLY A 22 -12.279 -22.738 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.533 -24.003 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.951 -25.369 5.760 1.00 0.00 H new ATOM 332 N ASP A 23 -8.474 -24.050 5.180 1.00 0.00 N ATOM 333 CA ASP A 23 -7.342 -23.695 4.278 1.00 0.00 C ATOM 334 C ASP A 23 -7.027 -24.871 3.355 1.00 0.00 C ATOM 335 O ASP A 23 -5.934 -25.404 3.362 1.00 0.00 O ATOM 336 CB ASP A 23 -6.162 -23.414 5.209 1.00 0.00 C ATOM 337 CG ASP A 23 -5.497 -22.096 4.807 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.595 -21.736 3.644 1.00 0.00 O ATOM 339 OD2 ASP A 23 -4.899 -21.470 5.667 1.00 0.00 O ATOM 0 H ASP A 23 -8.201 -24.408 6.095 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.569 -22.838 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.505 -23.360 6.242 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.440 -24.229 5.155 1.00 0.00 H new ATOM 344 N LYS A 24 -7.981 -25.285 2.565 1.00 0.00 N ATOM 345 CA LYS A 24 -7.750 -26.434 1.635 1.00 0.00 C ATOM 346 C LYS A 24 -6.417 -26.270 0.895 1.00 0.00 C ATOM 347 O LYS A 24 -5.800 -27.235 0.487 1.00 0.00 O ATOM 348 CB LYS A 24 -8.921 -26.391 0.655 1.00 0.00 C ATOM 349 CG LYS A 24 -9.872 -27.554 0.946 1.00 0.00 C ATOM 350 CD LYS A 24 -10.711 -27.853 -0.298 1.00 0.00 C ATOM 351 CE LYS A 24 -12.021 -28.526 0.118 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.659 -29.953 0.349 1.00 0.00 N ATOM 0 H LYS A 24 -8.915 -24.877 2.522 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.696 -27.385 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.451 -25.443 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.554 -26.455 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.304 -28.438 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.522 -27.305 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.920 -26.930 -0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.156 -28.501 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.431 -28.071 1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.779 -28.431 -0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.505 -30.483 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.278 -30.361 -0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.941 -30.012 1.099 1.00 0.00 H new ATOM 366 N PHE A 25 -5.966 -25.058 0.726 1.00 0.00 N ATOM 367 CA PHE A 25 -4.671 -24.836 0.022 1.00 0.00 C ATOM 368 C PHE A 25 -3.502 -25.183 0.950 1.00 0.00 C ATOM 369 O PHE A 25 -2.437 -25.566 0.508 1.00 0.00 O ATOM 370 CB PHE A 25 -4.656 -23.347 -0.321 1.00 0.00 C ATOM 371 CG PHE A 25 -5.732 -23.051 -1.337 1.00 0.00 C ATOM 372 CD1 PHE A 25 -5.579 -23.473 -2.663 1.00 0.00 C ATOM 373 CD2 PHE A 25 -6.883 -22.351 -0.954 1.00 0.00 C ATOM 374 CE1 PHE A 25 -6.577 -23.198 -3.605 1.00 0.00 C ATOM 375 CE2 PHE A 25 -7.881 -22.076 -1.896 1.00 0.00 C ATOM 376 CZ PHE A 25 -7.728 -22.499 -3.222 1.00 0.00 C ATOM 0 H PHE A 25 -6.438 -24.212 1.045 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.571 -25.460 -0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.819 -22.754 0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.680 -23.064 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.691 -24.011 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -7.001 -22.023 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.459 -23.525 -4.628 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.769 -21.537 -1.600 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.498 -22.286 -3.949 1.00 0.00 H new ATOM 386 N ALA A 26 -3.696 -25.052 2.236 1.00 0.00 N ATOM 387 CA ALA A 26 -2.600 -25.373 3.196 1.00 0.00 C ATOM 388 C ALA A 26 -2.782 -26.788 3.752 1.00 0.00 C ATOM 389 O ALA A 26 -1.831 -27.446 4.128 1.00 0.00 O ATOM 390 CB ALA A 26 -2.735 -24.336 4.311 1.00 0.00 C ATOM 0 H ALA A 26 -4.567 -24.736 2.663 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.617 -25.341 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.962 -24.505 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.623 -23.336 3.893 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.717 -24.427 4.776 1.00 0.00 H new ATOM 396 N GLY A 27 -3.997 -27.263 3.804 1.00 0.00 N ATOM 397 CA GLY A 27 -4.237 -28.637 4.332 1.00 0.00 C ATOM 398 C GLY A 27 -5.203 -28.586 5.521 1.00 0.00 C ATOM 399 O GLY A 27 -5.231 -29.481 6.344 1.00 0.00 O ATOM 0 H GLY A 27 -4.832 -26.760 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.649 -29.270 3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.293 -29.086 4.640 1.00 0.00 H new ATOM 403 N ILE A 28 -5.998 -27.555 5.622 1.00 0.00 N ATOM 404 CA ILE A 28 -6.958 -27.465 6.761 1.00 0.00 C ATOM 405 C ILE A 28 -8.398 -27.597 6.234 1.00 0.00 C ATOM 406 O ILE A 28 -8.772 -26.918 5.299 1.00 0.00 O ATOM 407 CB ILE A 28 -6.717 -26.076 7.364 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.362 -26.053 8.072 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.821 -25.744 8.373 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.614 -24.771 7.697 1.00 0.00 C ATOM 0 H ILE A 28 -6.025 -26.773 4.968 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.818 -28.254 7.500 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.726 -25.336 6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.503 -26.102 9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.775 -26.926 7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.642 -24.756 8.796 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.788 -25.754 7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.820 -26.486 9.171 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.648 -24.753 8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.461 -24.741 6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.200 -23.905 8.005 1.00 0.00 H new ATOM 422 N PRO A 29 -9.163 -28.469 6.847 1.00 0.00 N ATOM 423 CA PRO A 29 -10.568 -28.672 6.414 1.00 0.00 C ATOM 424 C PRO A 29 -11.441 -27.495 6.864 1.00 0.00 C ATOM 425 O PRO A 29 -10.984 -26.632 7.587 1.00 0.00 O ATOM 426 CB PRO A 29 -10.982 -29.958 7.126 1.00 0.00 C ATOM 427 CG PRO A 29 -10.092 -30.043 8.325 1.00 0.00 C ATOM 428 CD PRO A 29 -8.806 -29.335 7.980 1.00 0.00 C ATOM 0 HA PRO A 29 -10.677 -28.736 5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.032 -29.928 7.416 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.855 -30.826 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.566 -29.578 9.189 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.899 -31.083 8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.433 -28.754 8.823 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.022 -30.042 7.709 1.00 0.00 H new ATOM 436 N PRO A 30 -12.677 -27.496 6.425 1.00 0.00 N ATOM 437 CA PRO A 30 -13.615 -26.409 6.798 1.00 0.00 C ATOM 438 C PRO A 30 -14.010 -26.539 8.268 1.00 0.00 C ATOM 439 O PRO A 30 -13.372 -27.232 9.036 1.00 0.00 O ATOM 440 CB PRO A 30 -14.821 -26.644 5.895 1.00 0.00 C ATOM 441 CG PRO A 30 -14.770 -28.100 5.568 1.00 0.00 C ATOM 442 CD PRO A 30 -13.316 -28.493 5.551 1.00 0.00 C ATOM 0 HA PRO A 30 -13.188 -25.414 6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.751 -26.384 6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.766 -26.033 4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.319 -28.682 6.309 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.234 -28.295 4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.170 -29.506 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.905 -28.464 4.542 1.00 0.00 H new ATOM 450 N GLY A 31 -15.060 -25.879 8.663 1.00 0.00 N ATOM 451 CA GLY A 31 -15.510 -25.960 10.083 1.00 0.00 C ATOM 452 C GLY A 31 -14.332 -25.668 11.018 1.00 0.00 C ATOM 453 O GLY A 31 -14.238 -26.209 12.102 1.00 0.00 O ATOM 0 H GLY A 31 -15.630 -25.283 8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.313 -25.245 10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.914 -26.951 10.290 1.00 0.00 H new ATOM 457 N THR A 32 -13.433 -24.818 10.607 1.00 0.00 N ATOM 458 CA THR A 32 -12.263 -24.493 11.472 1.00 0.00 C ATOM 459 C THR A 32 -11.986 -22.983 11.438 1.00 0.00 C ATOM 460 O THR A 32 -11.764 -22.426 10.380 1.00 0.00 O ATOM 461 CB THR A 32 -11.094 -25.266 10.861 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.391 -26.656 10.874 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.827 -25.005 11.674 1.00 0.00 C ATOM 0 H THR A 32 -13.457 -24.334 9.710 1.00 0.00 H new ATOM 0 HA THR A 32 -12.430 -24.763 12.515 1.00 0.00 H new ATOM 0 HB THR A 32 -10.936 -24.937 9.834 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.049 -26.856 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.994 -25.557 11.237 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.601 -23.939 11.663 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.980 -25.333 12.702 1.00 0.00 H new ATOM 471 N PRO A 33 -12.012 -22.361 12.594 1.00 0.00 N ATOM 472 CA PRO A 33 -11.763 -20.901 12.666 1.00 0.00 C ATOM 473 C PRO A 33 -10.271 -20.599 12.516 1.00 0.00 C ATOM 474 O PRO A 33 -9.425 -21.400 12.864 1.00 0.00 O ATOM 475 CB PRO A 33 -12.250 -20.522 14.061 1.00 0.00 C ATOM 476 CG PRO A 33 -12.145 -21.776 14.870 1.00 0.00 C ATOM 477 CD PRO A 33 -12.272 -22.941 13.920 1.00 0.00 C ATOM 0 HA PRO A 33 -12.266 -20.346 11.874 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.640 -19.726 14.488 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.277 -20.156 14.033 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.192 -21.813 15.397 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.929 -21.811 15.626 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.555 -23.727 14.157 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.265 -23.389 13.970 1.00 0.00 H new ATOM 485 N PHE A 34 -9.942 -19.444 12.006 1.00 0.00 N ATOM 486 CA PHE A 34 -8.504 -19.079 11.839 1.00 0.00 C ATOM 487 C PHE A 34 -7.760 -19.271 13.168 1.00 0.00 C ATOM 488 O PHE A 34 -6.596 -19.623 13.195 1.00 0.00 O ATOM 489 CB PHE A 34 -8.532 -17.600 11.418 1.00 0.00 C ATOM 490 CG PHE A 34 -7.168 -16.967 11.598 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.231 -17.010 10.558 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.845 -16.339 12.806 1.00 0.00 C ATOM 493 CE1 PHE A 34 -4.971 -16.424 10.728 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.586 -15.753 12.976 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.648 -15.795 11.937 1.00 0.00 C ATOM 0 H PHE A 34 -10.607 -18.735 11.697 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.986 -19.696 11.105 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.841 -17.519 10.376 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.270 -17.061 12.012 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.480 -17.495 9.626 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.568 -16.307 13.608 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.248 -16.457 9.927 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.338 -15.268 13.909 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.676 -15.343 12.068 1.00 0.00 H new ATOM 505 N VAL A 35 -8.422 -19.043 14.266 1.00 0.00 N ATOM 506 CA VAL A 35 -7.758 -19.209 15.591 1.00 0.00 C ATOM 507 C VAL A 35 -7.373 -20.676 15.819 1.00 0.00 C ATOM 508 O VAL A 35 -6.593 -20.991 16.696 1.00 0.00 O ATOM 509 CB VAL A 35 -8.806 -18.768 16.612 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.190 -17.309 16.354 1.00 0.00 C ATOM 511 CG2 VAL A 35 -10.048 -19.653 16.482 1.00 0.00 C ATOM 0 H VAL A 35 -9.398 -18.748 14.305 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.839 -18.628 15.666 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.395 -18.862 17.617 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.938 -16.995 17.083 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.306 -16.678 16.447 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.600 -17.213 15.349 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.796 -19.339 17.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.458 -19.559 15.477 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.775 -20.692 16.667 1.00 0.00 H new ATOM 521 N ASP A 36 -7.914 -21.575 15.041 1.00 0.00 N ATOM 522 CA ASP A 36 -7.577 -23.016 15.222 1.00 0.00 C ATOM 523 C ASP A 36 -6.300 -23.370 14.455 1.00 0.00 C ATOM 524 O ASP A 36 -5.667 -24.373 14.717 1.00 0.00 O ATOM 525 CB ASP A 36 -8.773 -23.777 14.649 1.00 0.00 C ATOM 526 CG ASP A 36 -9.282 -24.782 15.684 1.00 0.00 C ATOM 527 OD1 ASP A 36 -8.647 -25.811 15.843 1.00 0.00 O ATOM 528 OD2 ASP A 36 -10.297 -24.505 16.301 1.00 0.00 O ATOM 0 H ASP A 36 -8.574 -21.374 14.289 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.394 -23.265 16.267 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.567 -23.080 14.382 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.484 -24.295 13.735 1.00 0.00 H new ATOM 533 N LEU A 37 -5.912 -22.556 13.509 1.00 0.00 N ATOM 534 CA LEU A 37 -4.674 -22.856 12.731 1.00 0.00 C ATOM 535 C LEU A 37 -3.502 -23.123 13.680 1.00 0.00 C ATOM 536 O LEU A 37 -3.410 -22.547 14.746 1.00 0.00 O ATOM 537 CB LEU A 37 -4.415 -21.599 11.897 1.00 0.00 C ATOM 538 CG LEU A 37 -5.541 -21.420 10.875 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.245 -20.197 10.002 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.637 -22.664 9.988 1.00 0.00 C ATOM 0 H LEU A 37 -6.397 -21.699 13.242 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.784 -23.743 12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.357 -20.725 12.546 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.456 -21.681 11.386 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.485 -21.277 11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.045 -20.068 9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.179 -19.309 10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.299 -20.343 9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.440 -22.532 9.262 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.693 -22.810 9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.847 -23.537 10.607 1.00 0.00 H new ATOM 552 N SER A 38 -2.606 -23.996 13.303 1.00 0.00 N ATOM 553 CA SER A 38 -1.440 -24.304 14.184 1.00 0.00 C ATOM 554 C SER A 38 -0.758 -23.012 14.643 1.00 0.00 C ATOM 555 O SER A 38 -0.916 -21.967 14.043 1.00 0.00 O ATOM 556 CB SER A 38 -0.493 -25.130 13.313 1.00 0.00 C ATOM 557 OG SER A 38 0.180 -26.086 14.119 1.00 0.00 O ATOM 0 H SER A 38 -2.631 -24.510 12.422 1.00 0.00 H new ATOM 0 HA SER A 38 -1.738 -24.839 15.086 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.053 -25.633 12.525 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.230 -24.478 12.824 1.00 0.00 H new ATOM 0 HG SER A 38 0.786 -26.617 13.560 1.00 0.00 H new ATOM 563 N ASP A 39 -0.001 -23.076 15.704 1.00 0.00 N ATOM 564 CA ASP A 39 0.691 -21.854 16.204 1.00 0.00 C ATOM 565 C ASP A 39 1.756 -21.390 15.205 1.00 0.00 C ATOM 566 O ASP A 39 2.263 -20.290 15.294 1.00 0.00 O ATOM 567 CB ASP A 39 1.343 -22.282 17.520 1.00 0.00 C ATOM 568 CG ASP A 39 0.277 -22.369 18.614 1.00 0.00 C ATOM 569 OD1 ASP A 39 -0.224 -21.330 19.009 1.00 0.00 O ATOM 570 OD2 ASP A 39 -0.019 -23.474 19.036 1.00 0.00 O ATOM 0 H ASP A 39 0.168 -23.923 16.247 1.00 0.00 H new ATOM 0 HA ASP A 39 0.003 -21.019 16.337 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.833 -23.248 17.398 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.114 -21.567 17.805 1.00 0.00 H new ATOM 575 N SER A 40 2.106 -22.218 14.257 1.00 0.00 N ATOM 576 CA SER A 40 3.141 -21.813 13.263 1.00 0.00 C ATOM 577 C SER A 40 2.574 -21.889 11.842 1.00 0.00 C ATOM 578 O SER A 40 3.302 -22.055 10.883 1.00 0.00 O ATOM 579 CB SER A 40 4.276 -22.821 13.442 1.00 0.00 C ATOM 580 OG SER A 40 5.251 -22.622 12.430 1.00 0.00 O ATOM 0 H SER A 40 1.721 -23.154 14.128 1.00 0.00 H new ATOM 0 HA SER A 40 3.478 -20.787 13.414 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.729 -22.703 14.426 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.885 -23.837 13.390 1.00 0.00 H new ATOM 0 HG SER A 40 4.808 -22.364 11.595 1.00 0.00 H new ATOM 586 N PHE A 41 1.283 -21.768 11.696 1.00 0.00 N ATOM 587 CA PHE A 41 0.680 -21.833 10.334 1.00 0.00 C ATOM 588 C PHE A 41 1.347 -20.797 9.418 1.00 0.00 C ATOM 589 O PHE A 41 1.550 -19.659 9.794 1.00 0.00 O ATOM 590 CB PHE A 41 -0.813 -21.515 10.545 1.00 0.00 C ATOM 591 CG PHE A 41 -1.469 -21.144 9.229 1.00 0.00 C ATOM 592 CD1 PHE A 41 -1.975 -22.143 8.388 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.565 -19.798 8.854 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.577 -21.795 7.172 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.167 -19.450 7.638 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.673 -20.449 6.797 1.00 0.00 C ATOM 0 H PHE A 41 0.621 -21.627 12.459 1.00 0.00 H new ATOM 0 HA PHE A 41 0.816 -22.804 9.858 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.317 -22.379 10.978 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.919 -20.695 11.255 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.901 -23.181 8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.175 -19.028 9.503 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.967 -22.565 6.523 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.241 -18.412 7.349 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.137 -20.181 5.859 1.00 0.00 H new ATOM 606 N MET A 42 1.682 -21.186 8.218 1.00 0.00 N ATOM 607 CA MET A 42 2.326 -20.226 7.276 1.00 0.00 C ATOM 608 C MET A 42 1.345 -19.870 6.156 1.00 0.00 C ATOM 609 O MET A 42 0.495 -20.657 5.792 1.00 0.00 O ATOM 610 CB MET A 42 3.541 -20.966 6.706 1.00 0.00 C ATOM 611 CG MET A 42 4.386 -21.539 7.850 1.00 0.00 C ATOM 612 SD MET A 42 4.485 -23.341 7.689 1.00 0.00 S ATOM 613 CE MET A 42 5.838 -23.604 8.862 1.00 0.00 C ATOM 0 H MET A 42 1.538 -22.126 7.849 1.00 0.00 H new ATOM 0 HA MET A 42 2.617 -19.297 7.766 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.212 -21.770 6.047 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.143 -20.286 6.103 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.386 -21.106 7.829 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.944 -21.273 8.810 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.816 -24.634 9.218 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.790 -23.412 8.368 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.724 -22.925 9.707 1.00 0.00 H new ATOM 623 N CYS A 43 1.452 -18.692 5.607 1.00 0.00 N ATOM 624 CA CYS A 43 0.517 -18.297 4.516 1.00 0.00 C ATOM 625 C CYS A 43 0.756 -19.161 3.269 1.00 0.00 C ATOM 626 O CYS A 43 1.886 -19.361 2.871 1.00 0.00 O ATOM 627 CB CYS A 43 0.857 -16.841 4.209 1.00 0.00 C ATOM 628 SG CYS A 43 -0.428 -16.123 3.159 1.00 0.00 S ATOM 0 H CYS A 43 2.143 -17.988 5.865 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.525 -18.428 4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.941 -16.274 5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.824 -16.781 3.709 1.00 0.00 H new ATOM 633 N PRO A 44 -0.316 -19.634 2.681 1.00 0.00 N ATOM 634 CA PRO A 44 -0.194 -20.465 1.461 1.00 0.00 C ATOM 635 C PRO A 44 0.130 -19.581 0.248 1.00 0.00 C ATOM 636 O PRO A 44 0.407 -20.070 -0.829 1.00 0.00 O ATOM 637 CB PRO A 44 -1.574 -21.096 1.314 1.00 0.00 C ATOM 638 CG PRO A 44 -2.508 -20.160 2.015 1.00 0.00 C ATOM 639 CD PRO A 44 -1.718 -19.450 3.085 1.00 0.00 C ATOM 0 HA PRO A 44 0.602 -21.206 1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.845 -21.211 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.603 -22.090 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.932 -19.443 1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.342 -20.708 2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.981 -18.394 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.908 -19.877 4.070 1.00 0.00 H new ATOM 647 N ALA A 45 0.092 -18.284 0.413 1.00 0.00 N ATOM 648 CA ALA A 45 0.390 -17.378 -0.731 1.00 0.00 C ATOM 649 C ALA A 45 1.726 -16.659 -0.523 1.00 0.00 C ATOM 650 O ALA A 45 2.425 -16.354 -1.468 1.00 0.00 O ATOM 651 CB ALA A 45 -0.762 -16.373 -0.746 1.00 0.00 C ATOM 0 H ALA A 45 -0.133 -17.815 1.291 1.00 0.00 H new ATOM 0 HA ALA A 45 0.475 -17.923 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.618 -15.666 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.705 -16.902 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.786 -15.833 0.200 1.00 0.00 H new ATOM 657 N CYS A 46 2.088 -16.378 0.701 1.00 0.00 N ATOM 658 CA CYS A 46 3.382 -15.671 0.935 1.00 0.00 C ATOM 659 C CYS A 46 4.183 -16.328 2.083 1.00 0.00 C ATOM 660 O CYS A 46 5.220 -15.839 2.486 1.00 0.00 O ATOM 661 CB CYS A 46 2.985 -14.202 1.214 1.00 0.00 C ATOM 662 SG CYS A 46 2.686 -13.885 2.976 1.00 0.00 S ATOM 0 H CYS A 46 1.552 -16.604 1.539 1.00 0.00 H new ATOM 0 HA CYS A 46 4.057 -15.728 0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.776 -13.542 0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.087 -13.958 0.647 1.00 0.00 H new ATOM 667 N ARG A 47 3.727 -17.453 2.579 1.00 0.00 N ATOM 668 CA ARG A 47 4.470 -18.176 3.665 1.00 0.00 C ATOM 669 C ARG A 47 4.668 -17.318 4.926 1.00 0.00 C ATOM 670 O ARG A 47 5.459 -17.657 5.785 1.00 0.00 O ATOM 671 CB ARG A 47 5.826 -18.522 3.047 1.00 0.00 C ATOM 672 CG ARG A 47 6.107 -20.016 3.226 1.00 0.00 C ATOM 673 CD ARG A 47 7.549 -20.316 2.812 1.00 0.00 C ATOM 674 NE ARG A 47 7.820 -21.686 3.335 1.00 0.00 N ATOM 675 CZ ARG A 47 8.831 -22.370 2.876 1.00 0.00 C ATOM 676 NH1 ARG A 47 9.903 -21.751 2.463 1.00 0.00 N ATOM 677 NH2 ARG A 47 8.772 -23.672 2.829 1.00 0.00 N ATOM 0 H ARG A 47 2.865 -17.907 2.277 1.00 0.00 H new ATOM 0 HA ARG A 47 3.910 -19.051 3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.830 -18.266 1.988 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.613 -17.935 3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.948 -20.305 4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.414 -20.602 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.666 -20.276 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.241 -19.588 3.234 1.00 0.00 H new ATOM 0 HE ARG A 47 7.215 -22.088 4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.950 -20.733 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.694 -22.285 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.934 -24.157 3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.563 -24.206 2.470 1.00 0.00 H new ATOM 691 N SER A 48 3.967 -16.227 5.062 1.00 0.00 N ATOM 692 CA SER A 48 4.140 -15.389 6.289 1.00 0.00 C ATOM 693 C SER A 48 3.665 -16.161 7.525 1.00 0.00 C ATOM 694 O SER A 48 2.995 -17.168 7.401 1.00 0.00 O ATOM 695 CB SER A 48 3.262 -14.158 6.070 1.00 0.00 C ATOM 696 OG SER A 48 4.005 -13.160 5.385 1.00 0.00 O ATOM 0 H SER A 48 3.287 -15.879 4.386 1.00 0.00 H new ATOM 0 HA SER A 48 5.183 -15.120 6.453 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.377 -14.428 5.493 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.913 -13.773 7.028 1.00 0.00 H new ATOM 0 HG SER A 48 3.588 -12.980 4.517 1.00 0.00 H new ATOM 702 N PRO A 49 4.021 -15.664 8.683 1.00 0.00 N ATOM 703 CA PRO A 49 3.612 -16.325 9.942 1.00 0.00 C ATOM 704 C PRO A 49 2.131 -16.056 10.222 1.00 0.00 C ATOM 705 O PRO A 49 1.632 -14.975 9.987 1.00 0.00 O ATOM 706 CB PRO A 49 4.491 -15.664 11.000 1.00 0.00 C ATOM 707 CG PRO A 49 4.847 -14.327 10.430 1.00 0.00 C ATOM 708 CD PRO A 49 4.829 -14.459 8.927 1.00 0.00 C ATOM 0 HA PRO A 49 3.730 -17.408 9.916 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.959 -15.561 11.946 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.383 -16.258 11.199 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.136 -13.568 10.757 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.831 -14.012 10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.388 -13.581 8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.836 -14.566 8.524 1.00 0.00 H new ATOM 716 N LYS A 50 1.425 -17.032 10.720 1.00 0.00 N ATOM 717 CA LYS A 50 -0.025 -16.833 11.015 1.00 0.00 C ATOM 718 C LYS A 50 -0.224 -15.584 11.872 1.00 0.00 C ATOM 719 O LYS A 50 -1.264 -14.958 11.837 1.00 0.00 O ATOM 720 CB LYS A 50 -0.438 -18.093 11.776 1.00 0.00 C ATOM 721 CG LYS A 50 -1.941 -18.063 12.053 1.00 0.00 C ATOM 722 CD LYS A 50 -2.230 -18.835 13.343 1.00 0.00 C ATOM 723 CE LYS A 50 -3.639 -18.498 13.836 1.00 0.00 C ATOM 724 NZ LYS A 50 -3.428 -17.548 14.965 1.00 0.00 N ATOM 0 H LYS A 50 1.788 -17.960 10.936 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.622 -16.687 10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.184 -18.979 11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.113 -18.159 12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.285 -17.033 12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.486 -18.507 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.142 -19.907 13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.495 -18.577 14.106 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.238 -18.046 13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.168 -19.393 14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.205 -16.857 14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.407 -18.074 15.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.524 -17.050 14.835 1.00 0.00 H new ATOM 738 N ASN A 51 0.765 -15.206 12.629 1.00 0.00 N ATOM 739 CA ASN A 51 0.624 -13.984 13.466 1.00 0.00 C ATOM 740 C ASN A 51 0.570 -12.743 12.571 1.00 0.00 C ATOM 741 O ASN A 51 0.248 -11.660 13.016 1.00 0.00 O ATOM 742 CB ASN A 51 1.867 -13.960 14.354 1.00 0.00 C ATOM 743 CG ASN A 51 1.552 -13.219 15.655 1.00 0.00 C ATOM 744 OD1 ASN A 51 1.931 -13.733 16.794 1.00 0.00 O flip ATOM 745 ND2 ASN A 51 0.957 -12.160 15.636 1.00 0.00 N flip ATOM 0 H ASN A 51 1.661 -15.687 12.705 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.291 -13.989 14.059 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.191 -14.978 14.572 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.689 -13.469 13.833 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.660 -11.758 14.747 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.754 -11.673 16.509 1.00 0.00 H new ATOM 752 N GLN A 52 0.872 -12.893 11.308 1.00 0.00 N ATOM 753 CA GLN A 52 0.824 -11.726 10.390 1.00 0.00 C ATOM 754 C GLN A 52 -0.582 -11.585 9.790 1.00 0.00 C ATOM 755 O GLN A 52 -0.854 -10.663 9.041 1.00 0.00 O ATOM 756 CB GLN A 52 1.850 -12.039 9.302 1.00 0.00 C ATOM 757 CG GLN A 52 2.880 -10.910 9.234 1.00 0.00 C ATOM 758 CD GLN A 52 2.194 -9.625 8.773 1.00 0.00 C ATOM 759 OE1 GLN A 52 1.380 -9.664 7.754 1.00 0.00 O flip ATOM 760 NE2 GLN A 52 2.403 -8.572 9.344 1.00 0.00 N flip ATOM 0 H GLN A 52 1.149 -13.774 10.876 1.00 0.00 H new ATOM 0 HA GLN A 52 1.046 -10.787 10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.346 -12.986 9.516 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.352 -12.150 8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.337 -10.761 10.212 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.682 -11.175 8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.039 -8.541 10.141 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.942 -7.719 9.026 1.00 0.00 H new ATOM 769 N PHE A 53 -1.481 -12.484 10.108 1.00 0.00 N ATOM 770 CA PHE A 53 -2.859 -12.375 9.546 1.00 0.00 C ATOM 771 C PHE A 53 -3.719 -11.464 10.426 1.00 0.00 C ATOM 772 O PHE A 53 -3.649 -11.509 11.639 1.00 0.00 O ATOM 773 CB PHE A 53 -3.414 -13.798 9.560 1.00 0.00 C ATOM 774 CG PHE A 53 -2.760 -14.611 8.469 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.391 -14.902 8.534 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.523 -15.076 7.391 1.00 0.00 C ATOM 777 CE1 PHE A 53 -0.788 -15.658 7.521 1.00 0.00 C ATOM 778 CE2 PHE A 53 -2.920 -15.832 6.380 1.00 0.00 C ATOM 779 CZ PHE A 53 -1.552 -16.123 6.444 1.00 0.00 C ATOM 0 H PHE A 53 -1.321 -13.280 10.726 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.857 -11.947 8.543 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.231 -14.260 10.530 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.494 -13.779 9.414 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.801 -14.544 9.365 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.578 -14.851 7.340 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.267 -15.882 7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.510 -16.191 5.550 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.086 -16.706 5.663 1.00 0.00 H new ATOM 789 N LYS A 54 -4.536 -10.642 9.826 1.00 0.00 N ATOM 790 CA LYS A 54 -5.406 -9.735 10.629 1.00 0.00 C ATOM 791 C LYS A 54 -6.879 -10.011 10.309 1.00 0.00 C ATOM 792 O LYS A 54 -7.292 -9.977 9.167 1.00 0.00 O ATOM 793 CB LYS A 54 -5.016 -8.321 10.201 1.00 0.00 C ATOM 794 CG LYS A 54 -5.123 -7.378 11.401 1.00 0.00 C ATOM 795 CD LYS A 54 -6.436 -6.596 11.321 1.00 0.00 C ATOM 796 CE LYS A 54 -6.151 -5.173 10.836 1.00 0.00 C ATOM 797 NZ LYS A 54 -7.304 -4.832 9.956 1.00 0.00 N ATOM 0 H LYS A 54 -4.639 -10.559 8.815 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.278 -9.878 11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.999 -8.315 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.668 -7.980 9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.083 -7.948 12.329 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.278 -6.690 11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.127 -7.093 10.640 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.916 -6.569 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.073 -4.478 11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.209 -5.122 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.183 -3.869 9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.349 -5.506 9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.186 -4.882 10.505 1.00 0.00 H new ATOM 811 N SER A 55 -7.671 -10.294 11.307 1.00 0.00 N ATOM 812 CA SER A 55 -9.113 -10.582 11.052 1.00 0.00 C ATOM 813 C SER A 55 -9.781 -9.412 10.331 1.00 0.00 C ATOM 814 O SER A 55 -9.172 -8.395 10.066 1.00 0.00 O ATOM 815 CB SER A 55 -9.738 -10.768 12.432 1.00 0.00 C ATOM 816 OG SER A 55 -11.136 -10.532 12.353 1.00 0.00 O ATOM 0 H SER A 55 -7.384 -10.338 12.285 1.00 0.00 H new ATOM 0 HA SER A 55 -9.239 -11.460 10.419 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.549 -11.778 12.796 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.282 -10.081 13.145 1.00 0.00 H new ATOM 0 HG SER A 55 -11.539 -10.653 13.238 1.00 0.00 H new ATOM 822 N ILE A 56 -11.037 -9.560 10.023 1.00 0.00 N ATOM 823 CA ILE A 56 -11.785 -8.472 9.324 1.00 0.00 C ATOM 824 C ILE A 56 -13.284 -8.601 9.616 1.00 0.00 C ATOM 825 O ILE A 56 -14.027 -9.184 8.851 1.00 0.00 O ATOM 826 CB ILE A 56 -11.514 -8.687 7.834 1.00 0.00 C ATOM 827 CG1 ILE A 56 -11.931 -10.105 7.436 1.00 0.00 C ATOM 828 CG2 ILE A 56 -10.025 -8.494 7.546 1.00 0.00 C ATOM 829 CD1 ILE A 56 -12.936 -10.037 6.284 1.00 0.00 C ATOM 0 H ILE A 56 -11.586 -10.395 10.226 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.473 -7.481 9.652 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.089 -7.963 7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.056 -10.682 7.136 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.374 -10.618 8.289 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.837 -8.648 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.729 -7.483 7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.446 -9.214 8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -13.233 -11.047 6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -13.815 -9.476 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.477 -9.540 5.429 1.00 0.00 H new ATOM 841 N LYS A 57 -13.734 -8.064 10.717 1.00 0.00 N ATOM 842 CA LYS A 57 -15.183 -8.159 11.057 1.00 0.00 C ATOM 843 C LYS A 57 -15.899 -6.861 10.679 1.00 0.00 C ATOM 844 O LYS A 57 -16.415 -6.155 11.523 1.00 0.00 O ATOM 845 CB LYS A 57 -15.225 -8.378 12.570 1.00 0.00 C ATOM 846 CG LYS A 57 -14.524 -7.217 13.279 1.00 0.00 C ATOM 847 CD LYS A 57 -13.357 -7.757 14.109 1.00 0.00 C ATOM 848 CE LYS A 57 -13.826 -8.006 15.545 1.00 0.00 C ATOM 849 NZ LYS A 57 -12.679 -8.684 16.211 1.00 0.00 N ATOM 0 H LYS A 57 -13.161 -7.563 11.396 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.682 -8.965 10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.259 -8.452 12.908 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.738 -9.319 12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.161 -6.496 12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.229 -6.691 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.983 -8.683 13.671 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.532 -7.045 14.103 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.077 -7.071 16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.720 -8.629 15.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.924 -8.888 17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.467 -9.574 15.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.845 -8.064 16.181 1.00 0.00 H new ATOM 863 N LYS A 58 -15.936 -6.543 9.415 1.00 0.00 N ATOM 864 CA LYS A 58 -16.618 -5.293 8.978 1.00 0.00 C ATOM 865 C LYS A 58 -18.055 -5.601 8.546 1.00 0.00 C ATOM 866 O LYS A 58 -18.318 -6.591 7.894 1.00 0.00 O ATOM 867 CB LYS A 58 -15.798 -4.788 7.791 1.00 0.00 C ATOM 868 CG LYS A 58 -15.446 -3.313 8.003 1.00 0.00 C ATOM 869 CD LYS A 58 -13.932 -3.126 7.874 1.00 0.00 C ATOM 870 CE LYS A 58 -13.621 -1.651 7.614 1.00 0.00 C ATOM 871 NZ LYS A 58 -13.574 -1.526 6.130 1.00 0.00 N ATOM 0 H LYS A 58 -15.522 -7.096 8.664 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.677 -4.553 9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.888 -5.379 7.687 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.364 -4.909 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.963 -2.695 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.781 -2.986 8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.435 -3.458 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.547 -3.739 7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.387 -1.004 8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.672 -1.362 8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.365 -0.541 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.831 -2.148 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.493 -1.802 5.729 1.00 0.00 H new ATOM 885 N VAL A 59 -18.986 -4.760 8.907 1.00 0.00 N ATOM 886 CA VAL A 59 -20.404 -5.004 8.518 1.00 0.00 C ATOM 887 C VAL A 59 -21.139 -3.674 8.333 1.00 0.00 C ATOM 888 O VAL A 59 -21.012 -2.768 9.131 1.00 0.00 O ATOM 889 CB VAL A 59 -21.002 -5.791 9.684 1.00 0.00 C ATOM 890 CG1 VAL A 59 -20.214 -7.087 9.882 1.00 0.00 C ATOM 891 CG2 VAL A 59 -20.925 -4.949 10.960 1.00 0.00 C ATOM 0 H VAL A 59 -18.826 -3.914 9.455 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.488 -5.545 7.575 1.00 0.00 H new ATOM 0 HB VAL A 59 -22.043 -6.028 9.466 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.640 -7.648 10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.267 -7.687 8.974 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.173 -6.850 10.100 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -21.351 -5.509 11.792 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.883 -4.712 11.178 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -21.485 -4.025 10.820 1.00 0.00 H new ATOM 901 N ILE A 60 -21.907 -3.550 7.284 1.00 0.00 N ATOM 902 CA ILE A 60 -22.649 -2.278 7.050 1.00 0.00 C ATOM 903 C ILE A 60 -24.131 -2.567 6.795 1.00 0.00 C ATOM 904 O ILE A 60 -25.003 -1.898 7.314 1.00 0.00 O ATOM 905 CB ILE A 60 -22.003 -1.663 5.808 1.00 0.00 C ATOM 906 CG1 ILE A 60 -20.514 -1.425 6.070 1.00 0.00 C ATOM 907 CG2 ILE A 60 -22.683 -0.331 5.485 1.00 0.00 C ATOM 908 CD1 ILE A 60 -19.706 -2.605 5.524 1.00 0.00 C ATOM 0 H ILE A 60 -22.052 -4.274 6.580 1.00 0.00 H new ATOM 0 HA ILE A 60 -22.599 -1.609 7.909 1.00 0.00 H new ATOM 0 HB ILE A 60 -22.119 -2.344 4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -20.193 -0.499 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.335 -1.312 7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.222 0.107 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -23.743 -0.500 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.568 0.350 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -18.645 -2.437 5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.021 -3.523 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -19.876 -2.697 4.451 1.00 0.00 H new ATOM 920 N ALA A 61 -24.422 -3.559 5.999 1.00 0.00 N ATOM 921 CA ALA A 61 -25.847 -3.889 5.711 1.00 0.00 C ATOM 922 C ALA A 61 -26.021 -5.403 5.565 1.00 0.00 C ATOM 923 O ALA A 61 -25.377 -6.036 4.751 1.00 0.00 O ATOM 924 CB ALA A 61 -26.158 -3.184 4.391 1.00 0.00 C ATOM 0 H ALA A 61 -23.736 -4.155 5.536 1.00 0.00 H new ATOM 0 HA ALA A 61 -26.514 -3.569 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -27.193 -3.379 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -26.010 -2.110 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -25.493 -3.559 3.613 1.00 0.00 H new ATOM 930 N GLY A 62 -26.887 -5.989 6.347 1.00 0.00 N ATOM 931 CA GLY A 62 -27.101 -7.460 6.251 1.00 0.00 C ATOM 932 C GLY A 62 -28.532 -7.794 6.678 1.00 0.00 C ATOM 933 O GLY A 62 -29.486 -7.411 6.032 1.00 0.00 O ATOM 0 H GLY A 62 -27.455 -5.512 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -26.926 -7.798 5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -26.388 -7.985 6.887 1.00 0.00 H new ATOM 937 N PHE A 63 -28.689 -8.505 7.761 1.00 0.00 N ATOM 938 CA PHE A 63 -30.060 -8.861 8.225 1.00 0.00 C ATOM 939 C PHE A 63 -30.520 -7.886 9.312 1.00 0.00 C ATOM 940 O PHE A 63 -31.593 -7.322 9.240 1.00 0.00 O ATOM 941 CB PHE A 63 -29.936 -10.276 8.790 1.00 0.00 C ATOM 942 CG PHE A 63 -31.187 -11.056 8.461 1.00 0.00 C ATOM 943 CD1 PHE A 63 -32.285 -11.017 9.330 1.00 0.00 C ATOM 944 CD2 PHE A 63 -31.250 -11.815 7.286 1.00 0.00 C ATOM 945 CE1 PHE A 63 -33.445 -11.738 9.023 1.00 0.00 C ATOM 946 CE2 PHE A 63 -32.410 -12.537 6.981 1.00 0.00 C ATOM 947 CZ PHE A 63 -33.508 -12.497 7.849 1.00 0.00 C ATOM 0 H PHE A 63 -27.928 -8.854 8.344 1.00 0.00 H new ATOM 0 HA PHE A 63 -30.794 -8.809 7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -29.062 -10.773 8.368 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -29.791 -10.238 9.870 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -32.237 -10.431 10.236 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -30.404 -11.843 6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -34.292 -11.708 9.693 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -32.458 -13.125 6.076 1.00 0.00 H new ATOM 0 HZ PHE A 63 -34.404 -13.052 7.612 1.00 0.00 H new ATOM 957 N ALA A 64 -29.715 -7.681 10.319 1.00 0.00 N ATOM 958 CA ALA A 64 -30.110 -6.740 11.407 1.00 0.00 C ATOM 959 C ALA A 64 -28.990 -5.729 11.666 1.00 0.00 C ATOM 960 O ALA A 64 -27.946 -6.063 12.190 1.00 0.00 O ATOM 961 CB ALA A 64 -30.331 -7.624 12.634 1.00 0.00 C ATOM 0 H ALA A 64 -28.803 -8.123 10.436 1.00 0.00 H new ATOM 0 HA ALA A 64 -31.001 -6.166 11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -30.625 -7.004 13.481 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -31.118 -8.348 12.424 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -29.407 -8.151 12.874 1.00 0.00 H new ATOM 967 N GLU A 65 -29.200 -4.493 11.304 1.00 0.00 N ATOM 968 CA GLU A 65 -28.150 -3.459 11.527 1.00 0.00 C ATOM 969 C GLU A 65 -28.052 -3.117 13.017 1.00 0.00 C ATOM 970 O GLU A 65 -28.452 -3.885 13.869 1.00 0.00 O ATOM 971 CB GLU A 65 -28.617 -2.244 10.726 1.00 0.00 C ATOM 972 CG GLU A 65 -29.960 -1.758 11.276 1.00 0.00 C ATOM 973 CD GLU A 65 -30.863 -1.328 10.117 1.00 0.00 C ATOM 974 OE1 GLU A 65 -30.721 -0.202 9.670 1.00 0.00 O ATOM 975 OE2 GLU A 65 -31.679 -2.131 9.699 1.00 0.00 O ATOM 0 H GLU A 65 -30.055 -4.154 10.863 1.00 0.00 H new ATOM 0 HA GLU A 65 -27.162 -3.798 11.215 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.876 -1.447 10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.716 -2.505 9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -30.439 -2.552 11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -29.804 -0.923 11.959 1.00 0.00 H new ATOM 982 N ASN A 66 -27.522 -1.967 13.336 1.00 0.00 N ATOM 983 CA ASN A 66 -27.401 -1.574 14.768 1.00 0.00 C ATOM 984 C ASN A 66 -27.105 -0.075 14.878 1.00 0.00 C ATOM 985 O ASN A 66 -25.999 0.330 15.177 1.00 0.00 O ATOM 986 CB ASN A 66 -26.228 -2.394 15.306 1.00 0.00 C ATOM 987 CG ASN A 66 -26.124 -2.204 16.821 1.00 0.00 C ATOM 988 OD1 ASN A 66 -26.783 -1.354 17.384 1.00 0.00 O ATOM 989 ND2 ASN A 66 -25.318 -2.967 17.507 1.00 0.00 N ATOM 0 H ASN A 66 -27.168 -1.284 12.667 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.317 -1.760 15.328 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -26.369 -3.449 15.070 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.301 -2.081 14.825 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -25.241 -2.850 18.517 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -24.765 -3.681 17.033 1.00 0.00 H new ATOM 996 N GLN A 67 -28.085 0.753 14.637 1.00 0.00 N ATOM 997 CA GLN A 67 -27.858 2.225 14.727 1.00 0.00 C ATOM 998 C GLN A 67 -27.422 2.608 16.143 1.00 0.00 C ATOM 999 O GLN A 67 -28.170 2.475 17.091 1.00 0.00 O ATOM 1000 CB GLN A 67 -29.207 2.857 14.388 1.00 0.00 C ATOM 1001 CG GLN A 67 -30.262 2.382 15.390 1.00 0.00 C ATOM 1002 CD GLN A 67 -31.635 2.371 14.716 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -31.765 1.949 13.585 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -32.673 2.819 15.369 1.00 0.00 N ATOM 0 H GLN A 67 -29.033 0.475 14.382 1.00 0.00 H new ATOM 0 HA GLN A 67 -27.071 2.563 14.053 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -29.128 3.944 14.415 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -29.504 2.584 13.375 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -30.014 1.384 15.750 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -30.277 3.040 16.259 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -32.564 3.173 16.319 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -33.593 2.814 14.929 1.00 0.00 H new ATOM 1013 N LYS A 68 -26.217 3.084 16.293 1.00 0.00 N ATOM 1014 CA LYS A 68 -25.733 3.476 17.647 1.00 0.00 C ATOM 1015 C LYS A 68 -24.894 4.755 17.556 1.00 0.00 C ATOM 1016 O LYS A 68 -25.051 5.669 18.342 1.00 0.00 O ATOM 1017 CB LYS A 68 -24.873 2.299 18.114 1.00 0.00 C ATOM 1018 CG LYS A 68 -24.208 2.644 19.449 1.00 0.00 C ATOM 1019 CD LYS A 68 -25.268 2.695 20.551 1.00 0.00 C ATOM 1020 CE LYS A 68 -24.794 3.624 21.670 1.00 0.00 C ATOM 1021 NZ LYS A 68 -25.188 2.933 22.930 1.00 0.00 N ATOM 0 H LYS A 68 -25.546 3.219 15.537 1.00 0.00 H new ATOM 0 HA LYS A 68 -26.551 3.682 18.338 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -25.489 1.407 18.224 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -24.113 2.072 17.366 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.451 1.899 19.693 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -23.698 3.605 19.376 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -26.214 3.051 20.144 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -25.447 1.695 20.945 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -23.716 3.780 21.625 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -25.262 4.606 21.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -24.897 3.508 23.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -26.220 2.804 22.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -24.722 2.004 22.977 1.00 0.00 H new ATOM 1035 N TYR A 69 -24.007 4.826 16.602 1.00 0.00 N ATOM 1036 CA TYR A 69 -23.160 6.045 16.460 1.00 0.00 C ATOM 1037 C TYR A 69 -22.295 5.944 15.201 1.00 0.00 C ATOM 1038 O TYR A 69 -21.951 4.865 14.758 1.00 0.00 O ATOM 1039 CB TYR A 69 -22.284 6.069 17.711 1.00 0.00 C ATOM 1040 CG TYR A 69 -21.419 7.307 17.693 1.00 0.00 C ATOM 1041 CD1 TYR A 69 -21.912 8.514 18.206 1.00 0.00 C ATOM 1042 CD2 TYR A 69 -20.125 7.248 17.163 1.00 0.00 C ATOM 1043 CE1 TYR A 69 -21.110 9.661 18.188 1.00 0.00 C ATOM 1044 CE2 TYR A 69 -19.323 8.395 17.145 1.00 0.00 C ATOM 1045 CZ TYR A 69 -19.815 9.604 17.658 1.00 0.00 C ATOM 1046 OH TYR A 69 -19.025 10.738 17.643 1.00 0.00 O ATOM 0 H TYR A 69 -23.832 4.093 15.915 1.00 0.00 H new ATOM 0 HA TYR A 69 -23.757 6.952 16.364 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -22.907 6.060 18.605 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -21.660 5.176 17.749 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -22.910 8.559 18.615 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -19.745 6.317 16.768 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.490 10.591 18.583 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -18.325 8.349 16.736 1.00 0.00 H new ATOM 0 HH TYR A 69 -18.156 10.526 17.243 1.00 0.00 H new ATOM 1056 N GLY A 70 -21.941 7.058 14.623 1.00 0.00 N ATOM 1057 CA GLY A 70 -21.099 7.024 13.393 1.00 0.00 C ATOM 1058 C GLY A 70 -19.806 7.805 13.637 1.00 0.00 C ATOM 1059 O GLY A 70 -19.848 9.022 13.553 1.00 0.00 O ATOM 1060 OXT GLY A 70 -18.797 7.174 13.904 1.00 0.00 O ATOM 0 H GLY A 70 -22.198 7.990 14.948 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -20.868 5.993 13.126 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -21.645 7.456 12.554 1.00 0.00 H new TER 1064 GLY A 70 HETATM 1065 ZN ZN A 71 0.335 -13.903 3.061 1.00 0.00 ZN