USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 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 LYS NZ :NH3+ 166:sc= -0.0352 (180deg=-0.275) USER MOD Single : A 2 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.053) USER MOD Single : A 6 SER OG : rot -3:sc= 0.0554 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ -171:sc= -0.0213 (180deg=-0.15) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 142:sc= -0.227 (180deg=-1.12) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -142:sc= 0.765 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0033 USER MOD Single : A 17 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.26) USER MOD Single : A 19 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.6!) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00371 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 1.17 K(o=1.2,f=-0.023) USER MOD Single : A 28 LYS NZ :NH3+ -149:sc= -0.843 (180deg=-2.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0315 X(o=-0.031,f=0) USER MOD Single : A 49 MET CE :methyl 175:sc= 0 (180deg=-0.0218) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 142:sc= -1.3 (180deg=-1.71) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -54:sc= 0.191 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 1.04 (180deg=0.661) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -46.836 -13.365 3.583 1.00 20.00 N ATOM 2 CA MET A -7 -46.269 -14.071 2.412 1.00 20.00 C ATOM 3 C MET A -7 -45.287 -13.177 1.660 1.00 20.00 C ATOM 4 O MET A -7 -44.102 -13.492 1.568 1.00 20.00 O ATOM 5 CB MET A -7 -47.385 -14.523 1.463 1.00 20.00 C ATOM 6 CG MET A -7 -46.877 -15.288 0.252 1.00 20.00 C ATOM 7 SD MET A -7 -48.197 -15.790 -0.872 1.00 20.00 S ATOM 8 CE MET A -7 -48.880 -14.199 -1.330 1.00 20.00 C ATOM 0 H1 MET A -7 -47.501 -13.993 4.078 1.00 20.00 H new ATOM 0 H2 MET A -7 -46.068 -13.094 4.230 1.00 20.00 H new ATOM 0 H3 MET A -7 -47.338 -12.512 3.264 1.00 20.00 H new ATOM 0 HA MET A -7 -45.735 -14.948 2.778 1.00 20.00 H new ATOM 0 HB2 MET A -7 -48.086 -15.152 2.012 1.00 20.00 H new ATOM 0 HB3 MET A -7 -47.940 -13.648 1.124 1.00 20.00 H new ATOM 0 HG2 MET A -7 -46.163 -14.667 -0.289 1.00 20.00 H new ATOM 0 HG3 MET A -7 -46.338 -16.174 0.589 1.00 20.00 H new ATOM 0 HE1 MET A -7 -49.160 -14.213 -2.383 1.00 20.00 H new ATOM 0 HE2 MET A -7 -49.762 -13.993 -0.723 1.00 20.00 H new ATOM 0 HE3 MET A -7 -48.135 -13.421 -1.162 1.00 20.00 H new ATOM 20 N ASP A -6 -45.774 -12.062 1.124 1.00 20.00 N ATOM 21 CA ASP A -6 -44.924 -11.160 0.355 1.00 20.00 C ATOM 22 C ASP A -6 -44.906 -9.762 0.962 1.00 20.00 C ATOM 23 O ASP A -6 -43.929 -9.367 1.601 1.00 20.00 O ATOM 24 CB ASP A -6 -45.377 -11.080 -1.110 1.00 20.00 C ATOM 25 CG ASP A -6 -44.981 -12.296 -1.924 1.00 20.00 C ATOM 26 OD1 ASP A -6 -45.764 -13.265 -1.983 1.00 20.00 O ATOM 27 OD2 ASP A -6 -43.893 -12.280 -2.538 1.00 20.00 O ATOM 0 H ASP A -6 -46.746 -11.763 1.207 1.00 20.00 H new ATOM 0 HA ASP A -6 -43.914 -11.569 0.388 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -46.460 -10.966 -1.143 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -44.948 -10.189 -1.568 1.00 20.00 H new ATOM 32 N TYR A -5 -45.990 -9.018 0.771 1.00 20.00 N ATOM 33 CA TYR A -5 -46.045 -7.623 1.202 1.00 20.00 C ATOM 34 C TYR A -5 -47.415 -7.273 1.777 1.00 20.00 C ATOM 35 O TYR A -5 -48.249 -6.674 1.096 1.00 20.00 O ATOM 36 CB TYR A -5 -45.726 -6.683 0.029 1.00 20.00 C ATOM 37 CG TYR A -5 -44.314 -6.813 -0.501 1.00 20.00 C ATOM 38 CD1 TYR A -5 -43.256 -6.187 0.140 1.00 20.00 C ATOM 39 CD2 TYR A -5 -44.040 -7.556 -1.644 1.00 20.00 C ATOM 40 CE1 TYR A -5 -41.966 -6.295 -0.339 1.00 20.00 C ATOM 41 CE2 TYR A -5 -42.752 -7.671 -2.127 1.00 20.00 C ATOM 42 CZ TYR A -5 -41.718 -7.036 -1.471 1.00 20.00 C ATOM 43 OH TYR A -5 -40.432 -7.143 -1.951 1.00 20.00 O ATOM 0 H TYR A -5 -46.841 -9.355 0.322 1.00 20.00 H new ATOM 0 HA TYR A -5 -45.297 -7.493 1.984 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -46.427 -6.881 -0.782 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -45.890 -5.654 0.348 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -43.444 -5.605 1.030 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -44.848 -8.051 -2.162 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -41.154 -5.800 0.173 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -42.555 -8.255 -3.014 1.00 20.00 H new ATOM 0 HH TYR A -5 -40.429 -7.702 -2.756 1.00 20.00 H new ATOM 53 N LYS A -4 -47.648 -7.650 3.025 1.00 20.00 N ATOM 54 CA LYS A -4 -48.902 -7.327 3.695 1.00 20.00 C ATOM 55 C LYS A -4 -48.643 -6.668 5.043 1.00 20.00 C ATOM 56 O LYS A -4 -49.579 -6.350 5.778 1.00 20.00 O ATOM 57 CB LYS A -4 -49.756 -8.583 3.896 1.00 20.00 C ATOM 58 CG LYS A -4 -50.253 -9.220 2.602 1.00 20.00 C ATOM 59 CD LYS A -4 -51.154 -8.279 1.808 1.00 20.00 C ATOM 60 CE LYS A -4 -52.396 -7.877 2.594 1.00 20.00 C ATOM 61 NZ LYS A -4 -53.224 -9.053 2.972 1.00 20.00 N ATOM 0 H LYS A -4 -46.988 -8.179 3.595 1.00 20.00 H new ATOM 0 HA LYS A -4 -49.444 -6.629 3.057 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -49.173 -9.320 4.449 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -50.616 -8.328 4.515 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -49.399 -9.507 1.988 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -50.800 -10.134 2.835 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -50.593 -7.385 1.535 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -51.454 -8.763 0.879 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -52.097 -7.341 3.494 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -52.995 -7.189 1.997 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -54.129 -8.728 3.368 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -53.404 -9.636 2.130 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -52.719 -9.619 3.683 1.00 20.00 H new ATOM 75 N ASP A -3 -47.375 -6.460 5.364 1.00 20.00 N ATOM 76 CA ASP A -3 -47.002 -5.881 6.649 1.00 20.00 C ATOM 77 C ASP A -3 -47.204 -4.367 6.638 1.00 20.00 C ATOM 78 O ASP A -3 -47.730 -3.796 7.594 1.00 20.00 O ATOM 79 CB ASP A -3 -45.552 -6.239 7.005 1.00 20.00 C ATOM 80 CG ASP A -3 -44.528 -5.645 6.058 1.00 20.00 C ATOM 81 OD1 ASP A -3 -44.775 -5.618 4.830 1.00 20.00 O ATOM 82 OD2 ASP A -3 -43.468 -5.197 6.538 1.00 20.00 O ATOM 0 H ASP A -3 -46.587 -6.682 4.755 1.00 20.00 H new ATOM 0 HA ASP A -3 -47.652 -6.302 7.416 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -45.340 -5.895 8.017 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -45.445 -7.324 7.008 1.00 20.00 H new ATOM 87 N ASP A -2 -46.799 -3.719 5.556 1.00 20.00 N ATOM 88 CA ASP A -2 -47.026 -2.286 5.409 1.00 20.00 C ATOM 89 C ASP A -2 -48.078 -2.013 4.347 1.00 20.00 C ATOM 90 O ASP A -2 -49.187 -1.578 4.656 1.00 20.00 O ATOM 91 CB ASP A -2 -45.730 -1.539 5.073 1.00 20.00 C ATOM 92 CG ASP A -2 -44.850 -1.322 6.287 1.00 20.00 C ATOM 93 OD1 ASP A -2 -45.328 -0.726 7.275 1.00 20.00 O ATOM 94 OD2 ASP A -2 -43.671 -1.728 6.255 1.00 20.00 O ATOM 0 H ASP A -2 -46.315 -4.157 4.772 1.00 20.00 H new ATOM 0 HA ASP A -2 -47.388 -1.915 6.368 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -45.175 -2.102 4.323 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -45.976 -0.574 4.630 1.00 20.00 H new ATOM 99 N ASP A -1 -47.741 -2.294 3.098 1.00 20.00 N ATOM 100 CA ASP A -1 -48.657 -2.050 1.993 1.00 20.00 C ATOM 101 C ASP A -1 -48.168 -2.727 0.725 1.00 20.00 C ATOM 102 O ASP A -1 -47.170 -3.449 0.747 1.00 20.00 O ATOM 103 CB ASP A -1 -48.827 -0.548 1.739 1.00 20.00 C ATOM 104 CG ASP A -1 -47.539 0.114 1.297 1.00 20.00 C ATOM 105 OD1 ASP A -1 -46.705 0.438 2.164 1.00 20.00 O ATOM 106 OD2 ASP A -1 -47.353 0.317 0.077 1.00 20.00 O ATOM 0 H ASP A -1 -46.842 -2.690 2.824 1.00 20.00 H new ATOM 0 HA ASP A -1 -49.623 -2.471 2.271 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -49.591 -0.396 0.976 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -49.185 -0.067 2.649 1.00 20.00 H new ATOM 111 N ASP A 0 -48.866 -2.476 -0.374 1.00 20.00 N ATOM 112 CA ASP A 0 -48.557 -3.102 -1.652 1.00 20.00 C ATOM 113 C ASP A 0 -47.189 -2.678 -2.172 1.00 20.00 C ATOM 114 O ASP A 0 -46.408 -3.511 -2.641 1.00 20.00 O ATOM 115 CB ASP A 0 -49.628 -2.750 -2.685 1.00 20.00 C ATOM 116 CG ASP A 0 -51.002 -3.254 -2.295 1.00 20.00 C ATOM 117 OD1 ASP A 0 -51.712 -2.543 -1.550 1.00 20.00 O ATOM 118 OD2 ASP A 0 -51.376 -4.366 -2.723 1.00 20.00 O ATOM 0 H ASP A 0 -49.659 -1.835 -0.405 1.00 20.00 H new ATOM 0 HA ASP A 0 -48.540 -4.180 -1.492 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -49.664 -1.668 -2.811 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -49.350 -3.174 -3.650 1.00 20.00 H new ATOM 123 N LYS A 1 -46.894 -1.389 -2.084 1.00 20.00 N ATOM 124 CA LYS A 1 -45.644 -0.867 -2.615 1.00 20.00 C ATOM 125 C LYS A 1 -44.502 -1.117 -1.643 1.00 20.00 C ATOM 126 O LYS A 1 -43.375 -1.382 -2.063 1.00 20.00 O ATOM 127 CB LYS A 1 -45.757 0.627 -2.938 1.00 20.00 C ATOM 128 CG LYS A 1 -46.693 0.924 -4.100 1.00 20.00 C ATOM 129 CD LYS A 1 -46.713 2.406 -4.449 1.00 20.00 C ATOM 130 CE LYS A 1 -45.367 2.891 -4.971 1.00 20.00 C ATOM 131 NZ LYS A 1 -44.941 2.161 -6.193 1.00 20.00 N ATOM 0 H LYS A 1 -47.499 -0.690 -1.653 1.00 20.00 H new ATOM 0 HA LYS A 1 -45.431 -1.396 -3.544 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -46.109 1.157 -2.053 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -44.766 1.017 -3.170 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -46.382 0.350 -4.973 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -47.701 0.597 -3.846 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -47.480 2.590 -5.201 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -46.987 2.982 -3.565 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -45.427 3.957 -5.190 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -44.612 2.767 -4.194 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -44.155 2.670 -6.645 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -44.630 1.203 -5.934 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -45.740 2.098 -6.856 1.00 20.00 H new ATOM 145 N ASN A 2 -44.810 -1.024 -0.347 1.00 20.00 N ATOM 146 CA ASN A 2 -43.866 -1.341 0.735 1.00 20.00 C ATOM 147 C ASN A 2 -42.795 -0.260 0.908 1.00 20.00 C ATOM 148 O ASN A 2 -42.446 0.102 2.033 1.00 20.00 O ATOM 149 CB ASN A 2 -43.206 -2.705 0.496 1.00 20.00 C ATOM 150 CG ASN A 2 -42.308 -3.135 1.641 1.00 20.00 C ATOM 151 OD1 ASN A 2 -41.118 -2.824 1.667 1.00 20.00 O ATOM 152 ND2 ASN A 2 -42.872 -3.867 2.590 1.00 20.00 N ATOM 0 H ASN A 2 -45.726 -0.725 -0.014 1.00 20.00 H new ATOM 0 HA ASN A 2 -44.444 -1.379 1.658 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -43.981 -3.457 0.347 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -42.621 -2.664 -0.423 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -42.316 -4.195 3.380 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -43.863 -4.103 2.531 1.00 20.00 H new ATOM 159 N ARG A 3 -42.288 0.256 -0.199 1.00 20.00 N ATOM 160 CA ARG A 3 -41.218 1.245 -0.167 1.00 20.00 C ATOM 161 C ARG A 3 -41.520 2.413 -1.103 1.00 20.00 C ATOM 162 O ARG A 3 -40.623 2.932 -1.773 1.00 20.00 O ATOM 163 CB ARG A 3 -39.882 0.595 -0.555 1.00 20.00 C ATOM 164 CG ARG A 3 -39.929 -0.143 -1.886 1.00 20.00 C ATOM 165 CD ARG A 3 -38.550 -0.608 -2.328 1.00 20.00 C ATOM 166 NE ARG A 3 -37.913 -1.484 -1.344 1.00 20.00 N ATOM 167 CZ ARG A 3 -38.042 -2.811 -1.330 1.00 20.00 C ATOM 168 NH1 ARG A 3 -38.851 -3.418 -2.195 1.00 20.00 N ATOM 169 NH2 ARG A 3 -37.365 -3.531 -0.448 1.00 20.00 N ATOM 0 H ARG A 3 -42.601 0.006 -1.137 1.00 20.00 H new ATOM 0 HA ARG A 3 -41.147 1.631 0.850 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -39.113 1.366 -0.603 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -39.586 -0.103 0.228 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -40.592 -1.004 -1.800 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -40.353 0.511 -2.648 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -38.635 -1.135 -3.278 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -37.915 0.261 -2.501 1.00 20.00 H new ATOM 0 HE ARG A 3 -37.334 -1.052 -0.624 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -39.377 -2.868 -2.874 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -38.945 -4.434 -2.179 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -36.746 -3.070 0.219 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -37.463 -4.546 -0.436 1.00 20.00 H new ATOM 183 N ALA A 4 -42.783 2.827 -1.136 1.00 20.00 N ATOM 184 CA ALA A 4 -43.213 3.923 -2.000 1.00 20.00 C ATOM 185 C ALA A 4 -42.442 5.198 -1.692 1.00 20.00 C ATOM 186 O ALA A 4 -41.898 5.841 -2.591 1.00 20.00 O ATOM 187 CB ALA A 4 -44.709 4.165 -1.855 1.00 20.00 C ATOM 0 H ALA A 4 -43.529 2.419 -0.573 1.00 20.00 H new ATOM 0 HA ALA A 4 -43.003 3.637 -3.031 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -45.010 4.985 -2.507 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -45.252 3.262 -2.134 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -44.938 4.421 -0.820 1.00 20.00 H new ATOM 193 N LEU A 5 -42.389 5.556 -0.417 1.00 20.00 N ATOM 194 CA LEU A 5 -41.658 6.735 0.010 1.00 20.00 C ATOM 195 C LEU A 5 -40.273 6.335 0.490 1.00 20.00 C ATOM 196 O LEU A 5 -40.043 6.159 1.688 1.00 20.00 O ATOM 197 CB LEU A 5 -42.410 7.485 1.119 1.00 20.00 C ATOM 198 CG LEU A 5 -43.600 8.344 0.660 1.00 20.00 C ATOM 199 CD1 LEU A 5 -44.721 7.486 0.096 1.00 20.00 C ATOM 200 CD2 LEU A 5 -44.116 9.195 1.810 1.00 20.00 C ATOM 0 H LEU A 5 -42.845 5.045 0.339 1.00 20.00 H new ATOM 0 HA LEU A 5 -41.564 7.408 -0.842 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -42.771 6.756 1.844 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -41.702 8.129 1.641 1.00 20.00 H new ATOM 0 HG LEU A 5 -43.247 9.000 -0.136 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -45.546 8.126 -0.219 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -44.352 6.922 -0.761 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -45.070 6.794 0.862 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -44.958 9.797 1.468 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -44.440 8.548 2.625 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -43.320 9.851 2.162 1.00 20.00 H new ATOM 212 N SER A 6 -39.361 6.158 -0.452 1.00 20.00 N ATOM 213 CA SER A 6 -37.997 5.782 -0.130 1.00 20.00 C ATOM 214 C SER A 6 -37.277 6.934 0.573 1.00 20.00 C ATOM 215 O SER A 6 -37.400 8.092 0.166 1.00 20.00 O ATOM 216 CB SER A 6 -37.252 5.377 -1.403 1.00 20.00 C ATOM 217 OG SER A 6 -37.950 4.349 -2.093 1.00 20.00 O ATOM 0 H SER A 6 -39.543 6.270 -1.449 1.00 20.00 H new ATOM 0 HA SER A 6 -38.017 4.929 0.548 1.00 20.00 H new ATOM 0 HB2 SER A 6 -37.137 6.244 -2.053 1.00 20.00 H new ATOM 0 HB3 SER A 6 -36.249 5.034 -1.149 1.00 20.00 H new ATOM 0 HG SER A 6 -38.736 4.082 -1.573 1.00 20.00 H new ATOM 223 N PRO A 7 -36.536 6.630 1.652 1.00 20.00 N ATOM 224 CA PRO A 7 -35.812 7.641 2.428 1.00 20.00 C ATOM 225 C PRO A 7 -34.595 8.186 1.682 1.00 20.00 C ATOM 226 O PRO A 7 -33.469 7.725 1.873 1.00 20.00 O ATOM 227 CB PRO A 7 -35.381 6.885 3.687 1.00 20.00 C ATOM 228 CG PRO A 7 -35.308 5.455 3.269 1.00 20.00 C ATOM 229 CD PRO A 7 -36.352 5.272 2.201 1.00 20.00 C ATOM 0 HA PRO A 7 -36.430 8.515 2.634 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -34.417 7.240 4.051 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -36.098 7.024 4.496 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -34.316 5.212 2.888 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -35.496 4.793 4.114 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -36.021 4.572 1.434 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -37.281 4.878 2.613 1.00 20.00 H new ATOM 237 N MET A 8 -34.825 9.174 0.833 1.00 20.00 N ATOM 238 CA MET A 8 -33.755 9.780 0.056 1.00 20.00 C ATOM 239 C MET A 8 -33.176 10.973 0.815 1.00 20.00 C ATOM 240 O MET A 8 -33.134 12.095 0.314 1.00 20.00 O ATOM 241 CB MET A 8 -34.278 10.207 -1.320 1.00 20.00 C ATOM 242 CG MET A 8 -33.184 10.594 -2.301 1.00 20.00 C ATOM 243 SD MET A 8 -33.836 11.049 -3.920 1.00 20.00 S ATOM 244 CE MET A 8 -32.313 11.346 -4.813 1.00 20.00 C ATOM 0 H MET A 8 -35.747 9.575 0.664 1.00 20.00 H new ATOM 0 HA MET A 8 -32.961 9.049 -0.096 1.00 20.00 H new ATOM 0 HB2 MET A 8 -34.862 9.391 -1.745 1.00 20.00 H new ATOM 0 HB3 MET A 8 -34.955 11.052 -1.194 1.00 20.00 H new ATOM 0 HG2 MET A 8 -32.615 11.430 -1.894 1.00 20.00 H new ATOM 0 HG3 MET A 8 -32.490 9.761 -2.414 1.00 20.00 H new ATOM 0 HE1 MET A 8 -32.543 11.638 -5.838 1.00 20.00 H new ATOM 0 HE2 MET A 8 -31.755 12.144 -4.324 1.00 20.00 H new ATOM 0 HE3 MET A 8 -31.713 10.436 -4.821 1.00 20.00 H new ATOM 254 N VAL A 9 -32.737 10.715 2.039 1.00 20.00 N ATOM 255 CA VAL A 9 -32.194 11.760 2.897 1.00 20.00 C ATOM 256 C VAL A 9 -30.697 11.942 2.638 1.00 20.00 C ATOM 257 O VAL A 9 -30.066 12.876 3.134 1.00 20.00 O ATOM 258 CB VAL A 9 -32.440 11.441 4.393 1.00 20.00 C ATOM 259 CG1 VAL A 9 -31.616 10.243 4.848 1.00 20.00 C ATOM 260 CG2 VAL A 9 -32.165 12.657 5.269 1.00 20.00 C ATOM 0 H VAL A 9 -32.746 9.787 2.462 1.00 20.00 H new ATOM 0 HA VAL A 9 -32.711 12.689 2.657 1.00 20.00 H new ATOM 0 HB VAL A 9 -33.493 11.181 4.503 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -31.812 10.046 5.902 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -31.890 9.368 4.258 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -30.556 10.457 4.710 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -32.346 12.402 6.313 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -31.127 12.967 5.146 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -32.824 13.474 4.975 1.00 20.00 H new ATOM 270 N SER A 10 -30.140 11.047 1.843 1.00 20.00 N ATOM 271 CA SER A 10 -28.723 11.084 1.531 1.00 20.00 C ATOM 272 C SER A 10 -28.524 11.241 0.028 1.00 20.00 C ATOM 273 O SER A 10 -29.499 11.207 -0.731 1.00 20.00 O ATOM 274 CB SER A 10 -28.037 9.809 2.036 1.00 20.00 C ATOM 275 OG SER A 10 -26.629 9.896 1.911 1.00 20.00 O ATOM 0 H SER A 10 -30.650 10.283 1.400 1.00 20.00 H new ATOM 0 HA SER A 10 -28.271 11.940 2.032 1.00 20.00 H new ATOM 0 HB2 SER A 10 -28.301 9.641 3.080 1.00 20.00 H new ATOM 0 HB3 SER A 10 -28.402 8.950 1.472 1.00 20.00 H new ATOM 0 HG SER A 10 -26.270 9.025 1.642 1.00 20.00 H new ATOM 281 N GLU A 11 -27.279 11.425 -0.401 1.00 20.00 N ATOM 282 CA GLU A 11 -26.971 11.525 -1.822 1.00 20.00 C ATOM 283 C GLU A 11 -27.439 10.267 -2.544 1.00 20.00 C ATOM 284 O GLU A 11 -27.972 10.329 -3.652 1.00 20.00 O ATOM 285 CB GLU A 11 -25.469 11.723 -2.038 1.00 20.00 C ATOM 286 CG GLU A 11 -24.931 13.020 -1.461 1.00 20.00 C ATOM 287 CD GLU A 11 -25.558 14.241 -2.094 1.00 20.00 C ATOM 288 OE1 GLU A 11 -25.153 14.608 -3.216 1.00 20.00 O ATOM 289 OE2 GLU A 11 -26.455 14.845 -1.475 1.00 20.00 O ATOM 0 H GLU A 11 -26.469 11.508 0.214 1.00 20.00 H new ATOM 0 HA GLU A 11 -27.495 12.390 -2.229 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -24.934 10.887 -1.588 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -25.259 11.698 -3.107 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -25.113 13.038 -0.386 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -23.851 13.056 -1.602 1.00 20.00 H new ATOM 296 N PHE A 12 -27.249 9.131 -1.893 1.00 20.00 N ATOM 297 CA PHE A 12 -27.700 7.865 -2.428 1.00 20.00 C ATOM 298 C PHE A 12 -29.025 7.471 -1.786 1.00 20.00 C ATOM 299 O PHE A 12 -29.198 7.582 -0.572 1.00 20.00 O ATOM 300 CB PHE A 12 -26.640 6.774 -2.201 1.00 20.00 C ATOM 301 CG PHE A 12 -26.314 6.504 -0.750 1.00 20.00 C ATOM 302 CD1 PHE A 12 -25.439 7.324 -0.054 1.00 20.00 C ATOM 303 CD2 PHE A 12 -26.876 5.422 -0.087 1.00 20.00 C ATOM 304 CE1 PHE A 12 -25.135 7.074 1.270 1.00 20.00 C ATOM 305 CE2 PHE A 12 -26.573 5.168 1.236 1.00 20.00 C ATOM 306 CZ PHE A 12 -25.702 5.995 1.915 1.00 20.00 C ATOM 0 H PHE A 12 -26.782 9.064 -0.988 1.00 20.00 H new ATOM 0 HA PHE A 12 -27.851 7.971 -3.502 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -26.987 5.848 -2.660 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -25.725 7.062 -2.718 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -24.989 8.169 -0.554 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -27.559 4.771 -0.612 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -24.454 7.723 1.800 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -27.018 4.322 1.739 1.00 20.00 H new ATOM 0 HZ PHE A 12 -25.465 5.798 2.950 1.00 20.00 H new ATOM 316 N GLU A 13 -29.970 7.039 -2.607 1.00 20.00 N ATOM 317 CA GLU A 13 -31.262 6.582 -2.113 1.00 20.00 C ATOM 318 C GLU A 13 -31.166 5.119 -1.679 1.00 20.00 C ATOM 319 O GLU A 13 -32.090 4.557 -1.090 1.00 20.00 O ATOM 320 CB GLU A 13 -32.322 6.755 -3.206 1.00 20.00 C ATOM 321 CG GLU A 13 -33.735 6.418 -2.762 1.00 20.00 C ATOM 322 CD GLU A 13 -34.755 6.643 -3.859 1.00 20.00 C ATOM 323 OE1 GLU A 13 -34.856 5.792 -4.767 1.00 20.00 O ATOM 324 OE2 GLU A 13 -35.455 7.673 -3.821 1.00 20.00 O ATOM 0 H GLU A 13 -29.867 6.995 -3.621 1.00 20.00 H new ATOM 0 HA GLU A 13 -31.552 7.179 -1.248 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -32.300 7.786 -3.558 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -32.059 6.123 -4.054 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -33.774 5.377 -2.442 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -33.996 7.027 -1.897 1.00 20.00 H new ATOM 331 N THR A 14 -30.017 4.520 -1.948 1.00 20.00 N ATOM 332 CA THR A 14 -29.795 3.115 -1.676 1.00 20.00 C ATOM 333 C THR A 14 -29.312 2.882 -0.249 1.00 20.00 C ATOM 334 O THR A 14 -28.184 2.450 -0.025 1.00 20.00 O ATOM 335 CB THR A 14 -28.776 2.535 -2.671 1.00 20.00 C ATOM 336 OG1 THR A 14 -27.646 3.414 -2.775 1.00 20.00 O ATOM 337 CG2 THR A 14 -29.406 2.345 -4.038 1.00 20.00 C ATOM 0 H THR A 14 -29.215 4.996 -2.361 1.00 20.00 H new ATOM 0 HA THR A 14 -30.751 2.605 -1.793 1.00 20.00 H new ATOM 0 HB THR A 14 -28.449 1.562 -2.304 1.00 20.00 H new ATOM 0 HG1 THR A 14 -26.998 3.040 -3.408 1.00 20.00 H new ATOM 0 HG21 THR A 14 -28.667 1.934 -4.725 1.00 20.00 H new ATOM 0 HG22 THR A 14 -30.249 1.658 -3.958 1.00 20.00 H new ATOM 0 HG23 THR A 14 -29.756 3.306 -4.414 1.00 20.00 H new ATOM 345 N ILE A 15 -30.171 3.175 0.713 1.00 20.00 N ATOM 346 CA ILE A 15 -29.862 2.923 2.111 1.00 20.00 C ATOM 347 C ILE A 15 -29.975 1.431 2.400 1.00 20.00 C ATOM 348 O ILE A 15 -29.222 0.873 3.198 1.00 20.00 O ATOM 349 CB ILE A 15 -30.799 3.719 3.048 1.00 20.00 C ATOM 350 CG1 ILE A 15 -30.549 5.224 2.896 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.610 3.288 4.495 1.00 20.00 C ATOM 352 CD1 ILE A 15 -31.404 6.081 3.806 1.00 20.00 C ATOM 0 H ILE A 15 -31.089 3.588 0.551 1.00 20.00 H new ATOM 0 HA ILE A 15 -28.841 3.255 2.301 1.00 20.00 H new ATOM 0 HB ILE A 15 -31.830 3.507 2.764 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.498 5.431 3.100 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.736 5.511 1.861 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -31.280 3.862 5.136 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.837 2.226 4.591 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -29.578 3.467 4.796 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -31.170 7.133 3.641 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -32.457 5.905 3.588 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -31.201 5.823 4.845 1.00 20.00 H new ATOM 364 N GLU A 16 -30.894 0.784 1.694 1.00 20.00 N ATOM 365 CA GLU A 16 -31.119 -0.649 1.826 1.00 20.00 C ATOM 366 C GLU A 16 -29.880 -1.437 1.375 1.00 20.00 C ATOM 367 O GLU A 16 -29.766 -2.637 1.625 1.00 20.00 O ATOM 368 CB GLU A 16 -32.346 -1.049 1.005 1.00 20.00 C ATOM 369 CG GLU A 16 -32.827 -2.470 1.246 1.00 20.00 C ATOM 370 CD GLU A 16 -34.046 -2.818 0.419 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.170 -2.448 0.818 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.888 -3.473 -0.633 1.00 20.00 O ATOM 0 H GLU A 16 -31.504 1.238 1.014 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.300 -0.887 2.874 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -33.160 -0.360 1.231 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.114 -0.932 -0.053 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.022 -3.167 1.012 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.061 -2.596 2.303 1.00 20.00 H new ATOM 379 N GLN A 17 -28.952 -0.741 0.723 1.00 20.00 N ATOM 380 CA GLN A 17 -27.677 -1.324 0.308 1.00 20.00 C ATOM 381 C GLN A 17 -26.910 -1.802 1.542 1.00 20.00 C ATOM 382 O GLN A 17 -26.268 -2.848 1.532 1.00 20.00 O ATOM 383 CB GLN A 17 -26.852 -0.272 -0.450 1.00 20.00 C ATOM 384 CG GLN A 17 -25.857 -0.816 -1.477 1.00 20.00 C ATOM 385 CD GLN A 17 -24.764 -1.689 -0.883 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.737 -1.188 -0.419 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.953 -2.998 -0.935 1.00 20.00 N ATOM 0 H GLN A 17 -29.061 0.240 0.468 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.860 -2.173 -0.350 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.540 0.402 -0.961 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.303 0.325 0.278 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.402 -1.393 -2.224 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.394 0.022 -1.998 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.817 -3.373 -1.327 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.235 -3.631 -0.584 1.00 20.00 H new ATOM 396 N GLU A 18 -27.010 -1.043 2.623 1.00 20.00 N ATOM 397 CA GLU A 18 -26.309 -1.377 3.856 1.00 20.00 C ATOM 398 C GLU A 18 -26.985 -2.552 4.545 1.00 20.00 C ATOM 399 O GLU A 18 -26.412 -3.196 5.425 1.00 20.00 O ATOM 400 CB GLU A 18 -26.273 -0.170 4.790 1.00 20.00 C ATOM 401 CG GLU A 18 -25.723 1.085 4.136 1.00 20.00 C ATOM 402 CD GLU A 18 -25.562 2.221 5.114 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.586 2.786 5.552 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.409 2.556 5.454 1.00 20.00 O ATOM 0 H GLU A 18 -27.569 -0.192 2.672 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.285 -1.657 3.608 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.282 0.030 5.151 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -25.665 -0.413 5.661 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -24.758 0.861 3.682 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.390 1.394 3.331 1.00 20.00 H new ATOM 411 N ASN A 19 -28.207 -2.829 4.128 1.00 20.00 N ATOM 412 CA ASN A 19 -28.953 -3.965 4.637 1.00 20.00 C ATOM 413 C ASN A 19 -28.592 -5.209 3.836 1.00 20.00 C ATOM 414 O ASN A 19 -28.817 -6.332 4.273 1.00 20.00 O ATOM 415 CB ASN A 19 -30.463 -3.710 4.553 1.00 20.00 C ATOM 416 CG ASN A 19 -30.898 -2.433 5.255 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.850 -1.778 4.835 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.217 -2.070 6.331 1.00 20.00 N ATOM 0 H ASN A 19 -28.708 -2.277 3.432 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.690 -4.114 5.684 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.758 -3.659 3.505 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.992 -4.556 4.992 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -30.477 -1.224 6.838 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -29.432 -2.636 6.653 1.00 20.00 H new ATOM 425 N SER A 20 -27.993 -4.993 2.665 1.00 20.00 N ATOM 426 CA SER A 20 -27.610 -6.091 1.784 1.00 20.00 C ATOM 427 C SER A 20 -26.518 -6.949 2.416 1.00 20.00 C ATOM 428 O SER A 20 -26.323 -8.097 2.029 1.00 20.00 O ATOM 429 CB SER A 20 -27.144 -5.552 0.431 1.00 20.00 C ATOM 430 OG SER A 20 -28.128 -4.707 -0.143 1.00 20.00 O ATOM 0 H SER A 20 -27.763 -4.066 2.306 1.00 20.00 H new ATOM 0 HA SER A 20 -28.487 -6.719 1.630 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.213 -5.000 0.556 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.934 -6.382 -0.243 1.00 20.00 H new ATOM 0 HG SER A 20 -27.808 -4.372 -1.007 1.00 20.00 H new ATOM 436 N TYR A 21 -25.818 -6.395 3.400 1.00 20.00 N ATOM 437 CA TYR A 21 -24.814 -7.155 4.134 1.00 20.00 C ATOM 438 C TYR A 21 -25.481 -8.299 4.894 1.00 20.00 C ATOM 439 O TYR A 21 -24.875 -9.341 5.135 1.00 20.00 O ATOM 440 CB TYR A 21 -24.046 -6.251 5.105 1.00 20.00 C ATOM 441 CG TYR A 21 -23.210 -5.183 4.428 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.946 -5.473 3.924 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.679 -3.881 4.299 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.181 -4.498 3.312 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.920 -2.903 3.690 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.673 -3.214 3.199 1.00 20.00 C ATOM 447 OH TYR A 21 -20.917 -2.235 2.595 1.00 20.00 O ATOM 0 H TYR A 21 -25.927 -5.428 3.706 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.102 -7.567 3.419 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.758 -5.769 5.776 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.395 -6.870 5.722 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.556 -6.476 4.012 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.657 -3.630 4.683 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.203 -4.740 2.924 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.303 -1.897 3.599 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.413 -1.390 2.598 1.00 20.00 H new ATOM 457 N ASN A 22 -26.746 -8.097 5.250 1.00 20.00 N ATOM 458 CA ASN A 22 -27.539 -9.132 5.904 1.00 20.00 C ATOM 459 C ASN A 22 -27.919 -10.206 4.897 1.00 20.00 C ATOM 460 O ASN A 22 -27.993 -11.390 5.222 1.00 20.00 O ATOM 461 CB ASN A 22 -28.801 -8.523 6.525 1.00 20.00 C ATOM 462 CG ASN A 22 -29.742 -9.568 7.098 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.607 -9.975 8.252 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.714 -9.998 6.306 1.00 20.00 N ATOM 0 H ASN A 22 -27.246 -7.221 5.095 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.943 -9.583 6.698 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.513 -7.829 7.315 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.328 -7.943 5.768 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -31.382 -10.689 6.647 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.794 -9.638 5.355 1.00 20.00 H new ATOM 471 N GLU A 23 -28.138 -9.780 3.663 1.00 20.00 N ATOM 472 CA GLU A 23 -28.502 -10.694 2.595 1.00 20.00 C ATOM 473 C GLU A 23 -27.298 -11.552 2.220 1.00 20.00 C ATOM 474 O GLU A 23 -27.404 -12.771 2.080 1.00 20.00 O ATOM 475 CB GLU A 23 -29.013 -9.919 1.374 1.00 20.00 C ATOM 476 CG GLU A 23 -30.139 -8.939 1.688 1.00 20.00 C ATOM 477 CD GLU A 23 -31.263 -9.566 2.485 1.00 20.00 C ATOM 478 OE1 GLU A 23 -32.074 -10.312 1.898 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.337 -9.323 3.708 1.00 20.00 O ATOM 0 H GLU A 23 -28.069 -8.803 3.377 1.00 20.00 H new ATOM 0 HA GLU A 23 -29.305 -11.344 2.943 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.182 -9.371 0.930 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.362 -10.630 0.625 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.733 -8.094 2.245 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.540 -8.543 0.755 1.00 20.00 H new ATOM 486 N TRP A 24 -26.144 -10.904 2.103 1.00 20.00 N ATOM 487 CA TRP A 24 -24.899 -11.589 1.773 1.00 20.00 C ATOM 488 C TRP A 24 -24.463 -12.516 2.906 1.00 20.00 C ATOM 489 O TRP A 24 -23.631 -13.399 2.708 1.00 20.00 O ATOM 490 CB TRP A 24 -23.792 -10.580 1.456 1.00 20.00 C ATOM 491 CG TRP A 24 -24.113 -9.691 0.291 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.871 -10.010 -0.801 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.678 -8.341 0.096 1.00 20.00 C ATOM 494 NE1 TRP A 24 -24.940 -8.939 -1.657 1.00 20.00 N ATOM 495 CE2 TRP A 24 -24.216 -7.904 -1.131 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.892 -7.458 0.840 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.989 -6.625 -1.627 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.667 -6.188 0.343 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.215 -5.782 -0.879 1.00 20.00 C ATOM 0 H TRP A 24 -26.045 -9.897 2.233 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.080 -12.197 0.886 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.610 -9.963 2.336 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.868 -11.119 1.249 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -25.346 -10.966 -0.966 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.448 -8.918 -2.541 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.468 -7.762 1.786 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -24.409 -6.309 -2.570 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.058 -5.497 0.907 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -23.023 -4.782 -1.239 1.00 20.00 H new ATOM 510 N LEU A 25 -25.017 -12.302 4.096 1.00 20.00 N ATOM 511 CA LEU A 25 -24.703 -13.134 5.252 1.00 20.00 C ATOM 512 C LEU A 25 -25.019 -14.597 4.953 1.00 20.00 C ATOM 513 O LEU A 25 -24.235 -15.486 5.286 1.00 20.00 O ATOM 514 CB LEU A 25 -25.477 -12.646 6.488 1.00 20.00 C ATOM 515 CG LEU A 25 -25.041 -13.238 7.838 1.00 20.00 C ATOM 516 CD1 LEU A 25 -25.490 -12.337 8.975 1.00 20.00 C ATOM 517 CD2 LEU A 25 -25.612 -14.636 8.040 1.00 20.00 C ATOM 0 H LEU A 25 -25.688 -11.557 4.285 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.637 -13.053 5.465 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.385 -11.561 6.544 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -26.534 -12.869 6.341 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.953 -13.307 7.834 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -25.175 -12.767 9.926 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -25.041 -11.351 8.857 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -26.576 -12.246 8.960 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -25.285 -15.027 9.004 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -26.701 -14.591 8.017 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.259 -15.292 7.244 1.00 20.00 H new ATOM 529 N ARG A 26 -26.149 -14.847 4.300 1.00 20.00 N ATOM 530 CA ARG A 26 -26.527 -16.215 3.957 1.00 20.00 C ATOM 531 C ARG A 26 -25.582 -16.758 2.896 1.00 20.00 C ATOM 532 O ARG A 26 -25.305 -17.954 2.839 1.00 20.00 O ATOM 533 CB ARG A 26 -27.970 -16.304 3.446 1.00 20.00 C ATOM 534 CG ARG A 26 -29.030 -15.792 4.413 1.00 20.00 C ATOM 535 CD ARG A 26 -29.284 -14.305 4.227 1.00 20.00 C ATOM 536 NE ARG A 26 -30.423 -13.832 5.010 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.354 -13.003 4.542 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.305 -12.585 3.282 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.342 -12.604 5.331 1.00 20.00 N ATOM 0 H ARG A 26 -26.812 -14.132 4.001 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.457 -16.811 4.867 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.045 -15.740 2.516 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.191 -17.344 3.206 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.959 -16.342 4.261 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.711 -15.982 5.438 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -28.392 -13.748 4.515 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.462 -14.099 3.172 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.510 -14.156 5.973 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.552 -12.899 2.669 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.020 -11.950 2.927 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.388 -12.932 6.296 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.056 -11.969 4.973 1.00 20.00 H new ATOM 553 N ALA A 27 -25.056 -15.853 2.085 1.00 20.00 N ATOM 554 CA ALA A 27 -24.152 -16.212 1.004 1.00 20.00 C ATOM 555 C ALA A 27 -22.747 -16.495 1.526 1.00 20.00 C ATOM 556 O ALA A 27 -21.842 -16.805 0.755 1.00 20.00 O ATOM 557 CB ALA A 27 -24.119 -15.106 -0.038 1.00 20.00 C ATOM 0 H ALA A 27 -25.243 -14.853 2.157 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.524 -17.126 0.541 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.439 -15.385 -0.843 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.120 -14.958 -0.443 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.774 -14.181 0.424 1.00 20.00 H new ATOM 563 N LYS A 28 -22.562 -16.376 2.835 1.00 20.00 N ATOM 564 CA LYS A 28 -21.280 -16.712 3.442 1.00 20.00 C ATOM 565 C LYS A 28 -21.237 -18.199 3.777 1.00 20.00 C ATOM 566 O LYS A 28 -20.168 -18.802 3.851 1.00 20.00 O ATOM 567 CB LYS A 28 -21.014 -15.869 4.699 1.00 20.00 C ATOM 568 CG LYS A 28 -19.648 -16.137 5.324 1.00 20.00 C ATOM 569 CD LYS A 28 -19.339 -15.200 6.489 1.00 20.00 C ATOM 570 CE LYS A 28 -19.957 -15.661 7.812 1.00 20.00 C ATOM 571 NZ LYS A 28 -21.444 -15.632 7.800 1.00 20.00 N ATOM 0 H LYS A 28 -23.274 -16.053 3.490 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.494 -16.485 2.722 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.088 -14.812 4.442 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.790 -16.073 5.437 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.609 -17.169 5.673 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.877 -16.029 4.562 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.258 -15.122 6.608 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.707 -14.202 6.252 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.621 -16.675 8.030 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.593 -15.024 8.618 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -21.795 -15.431 8.758 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -21.772 -14.890 7.149 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -21.807 -16.554 7.485 1.00 20.00 H new ATOM 585 N VAL A 29 -22.407 -18.791 3.971 1.00 20.00 N ATOM 586 CA VAL A 29 -22.497 -20.217 4.241 1.00 20.00 C ATOM 587 C VAL A 29 -22.881 -20.970 2.969 1.00 20.00 C ATOM 588 O VAL A 29 -22.686 -22.182 2.860 1.00 20.00 O ATOM 589 CB VAL A 29 -23.513 -20.523 5.370 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.941 -20.238 4.930 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.370 -21.957 5.852 1.00 20.00 C ATOM 0 H VAL A 29 -23.304 -18.307 3.946 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.516 -20.554 4.577 1.00 20.00 H new ATOM 0 HB VAL A 29 -23.288 -19.858 6.204 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.626 -20.464 5.747 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.035 -19.187 4.658 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.187 -20.859 4.068 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.094 -22.148 6.644 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.552 -22.640 5.022 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.362 -22.113 6.236 1.00 20.00 H new ATOM 601 N ALA A 30 -23.408 -20.238 2.001 1.00 20.00 N ATOM 602 CA ALA A 30 -23.845 -20.824 0.745 1.00 20.00 C ATOM 603 C ALA A 30 -22.939 -20.387 -0.398 1.00 20.00 C ATOM 604 O ALA A 30 -22.381 -19.291 -0.366 1.00 20.00 O ATOM 605 CB ALA A 30 -25.288 -20.432 0.465 1.00 20.00 C ATOM 0 H ALA A 30 -23.544 -19.229 2.063 1.00 20.00 H new ATOM 0 HA ALA A 30 -23.785 -21.909 0.826 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -25.609 -20.875 -0.478 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.926 -20.793 1.271 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.364 -19.347 0.401 1.00 20.00 H new ATOM 611 N THR A 31 -22.786 -21.256 -1.392 1.00 20.00 N ATOM 612 CA THR A 31 -21.989 -20.961 -2.578 1.00 20.00 C ATOM 613 C THR A 31 -20.535 -20.665 -2.200 1.00 20.00 C ATOM 614 O THR A 31 -19.945 -19.680 -2.642 1.00 20.00 O ATOM 615 CB THR A 31 -22.580 -19.768 -3.356 1.00 20.00 C ATOM 616 OG1 THR A 31 -24.016 -19.837 -3.329 1.00 20.00 O ATOM 617 CG2 THR A 31 -22.106 -19.771 -4.804 1.00 20.00 C ATOM 0 H THR A 31 -23.210 -22.184 -1.398 1.00 20.00 H new ATOM 0 HA THR A 31 -22.012 -21.843 -3.218 1.00 20.00 H new ATOM 0 HB THR A 31 -22.240 -18.849 -2.879 1.00 20.00 H new ATOM 0 HG1 THR A 31 -24.389 -19.077 -3.822 1.00 20.00 H new ATOM 0 HG21 THR A 31 -22.538 -18.919 -5.330 1.00 20.00 H new ATOM 0 HG22 THR A 31 -21.019 -19.701 -4.831 1.00 20.00 H new ATOM 0 HG23 THR A 31 -22.422 -20.695 -5.288 1.00 20.00 H new ATOM 625 N SER A 32 -19.964 -21.525 -1.370 1.00 20.00 N ATOM 626 CA SER A 32 -18.583 -21.359 -0.935 1.00 20.00 C ATOM 627 C SER A 32 -17.620 -21.866 -2.006 1.00 20.00 C ATOM 628 O SER A 32 -17.077 -22.964 -1.899 1.00 20.00 O ATOM 629 CB SER A 32 -18.360 -22.103 0.380 1.00 20.00 C ATOM 630 OG SER A 32 -19.332 -21.724 1.339 1.00 20.00 O ATOM 0 H SER A 32 -20.434 -22.344 -0.984 1.00 20.00 H new ATOM 0 HA SER A 32 -18.389 -20.298 -0.777 1.00 20.00 H new ATOM 0 HB2 SER A 32 -18.410 -23.178 0.209 1.00 20.00 H new ATOM 0 HB3 SER A 32 -17.362 -21.887 0.761 1.00 20.00 H new ATOM 0 HG SER A 32 -19.175 -22.212 2.174 1.00 20.00 H new ATOM 636 N LEU A 33 -17.418 -21.059 -3.037 1.00 20.00 N ATOM 637 CA LEU A 33 -16.540 -21.425 -4.140 1.00 20.00 C ATOM 638 C LEU A 33 -15.266 -20.591 -4.108 1.00 20.00 C ATOM 639 O LEU A 33 -14.674 -20.315 -5.152 1.00 20.00 O ATOM 640 CB LEU A 33 -17.255 -21.230 -5.480 1.00 20.00 C ATOM 641 CG LEU A 33 -18.503 -22.093 -5.691 1.00 20.00 C ATOM 642 CD1 LEU A 33 -19.176 -21.743 -7.008 1.00 20.00 C ATOM 643 CD2 LEU A 33 -18.149 -23.573 -5.656 1.00 20.00 C ATOM 0 H LEU A 33 -17.853 -20.141 -3.133 1.00 20.00 H new ATOM 0 HA LEU A 33 -16.275 -22.477 -4.030 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -17.539 -20.182 -5.572 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -16.549 -21.440 -6.283 1.00 20.00 H new ATOM 0 HG LEU A 33 -19.199 -21.887 -4.878 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -20.061 -22.366 -7.141 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -19.469 -20.693 -6.999 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -18.481 -21.919 -7.829 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -19.051 -24.166 -5.808 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -17.431 -23.794 -6.446 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -17.711 -23.820 -4.689 1.00 20.00 H new ATOM 655 N ALA A 34 -14.873 -20.192 -2.897 1.00 20.00 N ATOM 656 CA ALA A 34 -13.669 -19.393 -2.666 1.00 20.00 C ATOM 657 C ALA A 34 -13.793 -17.996 -3.273 1.00 20.00 C ATOM 658 O ALA A 34 -13.805 -17.834 -4.495 1.00 20.00 O ATOM 659 CB ALA A 34 -12.434 -20.106 -3.202 1.00 20.00 C ATOM 0 H ALA A 34 -15.385 -20.416 -2.044 1.00 20.00 H new ATOM 0 HA ALA A 34 -13.558 -19.274 -1.588 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -11.552 -19.493 -3.019 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -12.320 -21.066 -2.698 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -12.545 -20.271 -4.274 1.00 20.00 H new ATOM 665 N ASP A 35 -13.908 -16.991 -2.409 1.00 20.00 N ATOM 666 CA ASP A 35 -13.966 -15.600 -2.848 1.00 20.00 C ATOM 667 C ASP A 35 -12.756 -15.250 -3.705 1.00 20.00 C ATOM 668 O ASP A 35 -11.614 -15.478 -3.307 1.00 20.00 O ATOM 669 CB ASP A 35 -14.024 -14.645 -1.649 1.00 20.00 C ATOM 670 CG ASP A 35 -15.432 -14.408 -1.138 1.00 20.00 C ATOM 671 OD1 ASP A 35 -15.979 -15.292 -0.451 1.00 20.00 O ATOM 672 OD2 ASP A 35 -15.999 -13.328 -1.420 1.00 20.00 O ATOM 0 H ASP A 35 -13.963 -17.115 -1.398 1.00 20.00 H new ATOM 0 HA ASP A 35 -14.874 -15.485 -3.441 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -13.415 -15.050 -0.841 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -13.582 -13.690 -1.933 1.00 20.00 H new ATOM 677 N PRO A 36 -12.990 -14.704 -4.905 1.00 20.00 N ATOM 678 CA PRO A 36 -11.913 -14.240 -5.783 1.00 20.00 C ATOM 679 C PRO A 36 -11.371 -12.884 -5.340 1.00 20.00 C ATOM 680 O PRO A 36 -10.474 -12.322 -5.965 1.00 20.00 O ATOM 681 CB PRO A 36 -12.602 -14.129 -7.144 1.00 20.00 C ATOM 682 CG PRO A 36 -14.021 -13.818 -6.819 1.00 20.00 C ATOM 683 CD PRO A 36 -14.320 -14.517 -5.516 1.00 20.00 C ATOM 0 HA PRO A 36 -11.052 -14.908 -5.783 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -12.153 -13.344 -7.753 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -12.518 -15.058 -7.708 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -14.172 -12.742 -6.727 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -14.686 -14.167 -7.609 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -14.972 -13.917 -4.880 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -14.823 -15.470 -5.679 1.00 20.00 H new ATOM 691 N ARG A 37 -11.925 -12.371 -4.250 1.00 20.00 N ATOM 692 CA ARG A 37 -11.536 -11.073 -3.725 1.00 20.00 C ATOM 693 C ARG A 37 -10.633 -11.234 -2.502 1.00 20.00 C ATOM 694 O ARG A 37 -10.983 -11.929 -1.544 1.00 20.00 O ATOM 695 CB ARG A 37 -12.780 -10.254 -3.358 1.00 20.00 C ATOM 696 CG ARG A 37 -13.687 -10.937 -2.347 1.00 20.00 C ATOM 697 CD ARG A 37 -14.810 -10.024 -1.896 1.00 20.00 C ATOM 698 NE ARG A 37 -15.627 -10.640 -0.849 1.00 20.00 N ATOM 699 CZ ARG A 37 -16.033 -10.003 0.252 1.00 20.00 C ATOM 700 NH1 ARG A 37 -15.639 -8.756 0.489 1.00 20.00 N ATOM 701 NH2 ARG A 37 -16.817 -10.622 1.125 1.00 20.00 N ATOM 0 H ARG A 37 -12.651 -12.840 -3.709 1.00 20.00 H new ATOM 0 HA ARG A 37 -10.980 -10.543 -4.498 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -12.464 -9.291 -2.957 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -13.350 -10.050 -4.264 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -14.107 -11.841 -2.787 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -13.100 -11.247 -1.482 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -14.391 -9.088 -1.526 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -15.441 -9.775 -2.750 1.00 20.00 H new ATOM 0 HE ARG A 37 -15.903 -11.615 -0.968 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -15.024 -8.281 -0.172 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -15.952 -8.274 1.332 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -17.109 -11.584 0.955 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -17.127 -10.136 1.966 1.00 20.00 H new ATOM 715 N PRO A 38 -9.443 -10.620 -2.534 1.00 20.00 N ATOM 716 CA PRO A 38 -8.542 -10.611 -1.386 1.00 20.00 C ATOM 717 C PRO A 38 -9.032 -9.661 -0.297 1.00 20.00 C ATOM 718 O PRO A 38 -9.357 -8.500 -0.566 1.00 20.00 O ATOM 719 CB PRO A 38 -7.210 -10.133 -1.968 1.00 20.00 C ATOM 720 CG PRO A 38 -7.567 -9.363 -3.194 1.00 20.00 C ATOM 721 CD PRO A 38 -8.882 -9.904 -3.694 1.00 20.00 C ATOM 0 HA PRO A 38 -8.470 -11.588 -0.909 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -6.671 -9.509 -1.255 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -6.561 -10.975 -2.208 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -7.649 -8.299 -2.970 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -6.793 -9.470 -3.954 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -9.542 -9.102 -4.025 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -8.741 -10.572 -4.544 1.00 20.00 H new ATOM 729 N ALA A 39 -9.086 -10.155 0.928 1.00 20.00 N ATOM 730 CA ALA A 39 -9.586 -9.374 2.046 1.00 20.00 C ATOM 731 C ALA A 39 -8.457 -8.595 2.704 1.00 20.00 C ATOM 732 O ALA A 39 -7.463 -9.177 3.142 1.00 20.00 O ATOM 733 CB ALA A 39 -10.274 -10.276 3.061 1.00 20.00 C ATOM 0 H ALA A 39 -8.788 -11.099 1.174 1.00 20.00 H new ATOM 0 HA ALA A 39 -10.318 -8.661 1.666 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -10.642 -9.674 3.892 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -11.110 -10.788 2.585 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -9.563 -11.013 3.434 1.00 20.00 H new ATOM 739 N ILE A 40 -8.609 -7.282 2.760 1.00 20.00 N ATOM 740 CA ILE A 40 -7.598 -6.420 3.350 1.00 20.00 C ATOM 741 C ILE A 40 -7.840 -6.247 4.844 1.00 20.00 C ATOM 742 O ILE A 40 -8.888 -5.748 5.253 1.00 20.00 O ATOM 743 CB ILE A 40 -7.580 -5.026 2.691 1.00 20.00 C ATOM 744 CG1 ILE A 40 -7.364 -5.144 1.181 1.00 20.00 C ATOM 745 CG2 ILE A 40 -6.495 -4.161 3.317 1.00 20.00 C ATOM 746 CD1 ILE A 40 -7.398 -3.815 0.463 1.00 20.00 C ATOM 0 H ILE A 40 -9.427 -6.788 2.402 1.00 20.00 H new ATOM 0 HA ILE A 40 -6.636 -6.905 3.182 1.00 20.00 H new ATOM 0 HB ILE A 40 -8.547 -4.552 2.861 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -6.403 -5.624 0.996 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -8.131 -5.795 0.762 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -6.493 -3.180 2.843 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -6.690 -4.048 4.383 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -5.524 -4.635 3.174 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -7.238 -3.973 -0.603 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -8.368 -3.342 0.618 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -6.613 -3.169 0.856 1.00 20.00 H new ATOM 758 N PRO A 41 -6.883 -6.684 5.676 1.00 20.00 N ATOM 759 CA PRO A 41 -6.930 -6.446 7.119 1.00 20.00 C ATOM 760 C PRO A 41 -7.007 -4.949 7.423 1.00 20.00 C ATOM 761 O PRO A 41 -6.098 -4.191 7.075 1.00 20.00 O ATOM 762 CB PRO A 41 -5.608 -7.033 7.625 1.00 20.00 C ATOM 763 CG PRO A 41 -5.183 -8.001 6.579 1.00 20.00 C ATOM 764 CD PRO A 41 -5.696 -7.457 5.277 1.00 20.00 C ATOM 0 HA PRO A 41 -7.804 -6.894 7.592 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -4.860 -6.253 7.766 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -5.740 -7.527 8.588 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -4.098 -8.102 6.559 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -5.592 -8.992 6.776 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -4.954 -6.829 4.784 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -5.952 -8.255 4.580 1.00 20.00 H new ATOM 772 N HIS A 42 -8.082 -4.522 8.072 1.00 20.00 N ATOM 773 CA HIS A 42 -8.323 -3.097 8.271 1.00 20.00 C ATOM 774 C HIS A 42 -7.643 -2.576 9.529 1.00 20.00 C ATOM 775 O HIS A 42 -7.236 -1.416 9.578 1.00 20.00 O ATOM 776 CB HIS A 42 -9.823 -2.791 8.317 1.00 20.00 C ATOM 777 CG HIS A 42 -10.504 -2.929 6.990 1.00 20.00 C ATOM 778 ND1 HIS A 42 -10.626 -1.885 6.099 1.00 20.00 N ATOM 779 CD2 HIS A 42 -11.097 -3.993 6.401 1.00 20.00 C ATOM 780 CE1 HIS A 42 -11.262 -2.301 5.022 1.00 20.00 C ATOM 781 NE2 HIS A 42 -11.559 -3.577 5.178 1.00 20.00 N ATOM 0 H HIS A 42 -8.796 -5.134 8.467 1.00 20.00 H new ATOM 0 HA HIS A 42 -7.887 -2.581 7.416 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -10.300 -3.461 9.032 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -9.967 -1.776 8.686 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -11.189 -4.986 6.816 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -11.500 -1.699 4.158 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -12.051 -4.159 4.500 1.00 20.00 H new ATOM 790 N ASP A 43 -7.503 -3.432 10.536 1.00 20.00 N ATOM 791 CA ASP A 43 -6.884 -3.017 11.792 1.00 20.00 C ATOM 792 C ASP A 43 -5.429 -2.633 11.560 1.00 20.00 C ATOM 793 O ASP A 43 -4.956 -1.621 12.072 1.00 20.00 O ATOM 794 CB ASP A 43 -6.982 -4.118 12.855 1.00 20.00 C ATOM 795 CG ASP A 43 -6.382 -3.697 14.185 1.00 20.00 C ATOM 796 OD1 ASP A 43 -7.053 -2.968 14.942 1.00 20.00 O ATOM 797 OD2 ASP A 43 -5.235 -4.095 14.483 1.00 20.00 O ATOM 0 H ASP A 43 -7.805 -4.406 10.510 1.00 20.00 H new ATOM 0 HA ASP A 43 -7.427 -2.147 12.162 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -8.028 -4.386 13.001 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -6.471 -5.012 12.496 1.00 20.00 H new ATOM 802 N GLU A 44 -4.741 -3.434 10.753 1.00 20.00 N ATOM 803 CA GLU A 44 -3.346 -3.181 10.399 1.00 20.00 C ATOM 804 C GLU A 44 -3.175 -1.796 9.782 1.00 20.00 C ATOM 805 O GLU A 44 -2.238 -1.069 10.118 1.00 20.00 O ATOM 806 CB GLU A 44 -2.846 -4.246 9.415 1.00 20.00 C ATOM 807 CG GLU A 44 -2.456 -5.573 10.056 1.00 20.00 C ATOM 808 CD GLU A 44 -3.539 -6.163 10.937 1.00 20.00 C ATOM 809 OE1 GLU A 44 -4.683 -6.314 10.468 1.00 20.00 O ATOM 810 OE2 GLU A 44 -3.245 -6.486 12.104 1.00 20.00 O ATOM 0 H GLU A 44 -5.132 -4.274 10.327 1.00 20.00 H new ATOM 0 HA GLU A 44 -2.757 -3.227 11.315 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -3.624 -4.431 8.674 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -1.984 -3.850 8.879 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -2.209 -6.287 9.271 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -1.554 -5.428 10.651 1.00 20.00 H new ATOM 817 N VAL A 45 -4.089 -1.438 8.891 1.00 20.00 N ATOM 818 CA VAL A 45 -4.036 -0.153 8.208 1.00 20.00 C ATOM 819 C VAL A 45 -4.343 0.980 9.180 1.00 20.00 C ATOM 820 O VAL A 45 -3.680 2.020 9.176 1.00 20.00 O ATOM 821 CB VAL A 45 -5.034 -0.105 7.032 1.00 20.00 C ATOM 822 CG1 VAL A 45 -4.934 1.216 6.285 1.00 20.00 C ATOM 823 CG2 VAL A 45 -4.803 -1.273 6.088 1.00 20.00 C ATOM 0 H VAL A 45 -4.880 -2.023 8.623 1.00 20.00 H new ATOM 0 HA VAL A 45 -3.027 -0.030 7.815 1.00 20.00 H new ATOM 0 HB VAL A 45 -6.041 -0.185 7.440 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -5.648 1.223 5.461 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -5.158 2.037 6.966 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -3.925 1.336 5.891 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -5.516 -1.222 5.265 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -3.788 -1.226 5.692 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -4.939 -2.210 6.628 1.00 20.00 H new ATOM 833 N GLU A 46 -5.341 0.758 10.027 1.00 20.00 N ATOM 834 CA GLU A 46 -5.751 1.743 11.019 1.00 20.00 C ATOM 835 C GLU A 46 -4.599 2.050 11.974 1.00 20.00 C ATOM 836 O GLU A 46 -4.428 3.185 12.405 1.00 20.00 O ATOM 837 CB GLU A 46 -6.968 1.239 11.802 1.00 20.00 C ATOM 838 CG GLU A 46 -7.584 2.277 12.727 1.00 20.00 C ATOM 839 CD GLU A 46 -8.196 3.449 11.982 1.00 20.00 C ATOM 840 OE1 GLU A 46 -9.288 3.283 11.390 1.00 20.00 O ATOM 841 OE2 GLU A 46 -7.601 4.544 11.998 1.00 20.00 O ATOM 0 H GLU A 46 -5.885 -0.104 10.046 1.00 20.00 H new ATOM 0 HA GLU A 46 -6.027 2.661 10.499 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -7.727 0.901 11.096 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -6.673 0.371 12.392 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -8.352 1.801 13.337 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -6.819 2.647 13.409 1.00 20.00 H new ATOM 848 N ARG A 47 -3.800 1.031 12.281 1.00 20.00 N ATOM 849 CA ARG A 47 -2.654 1.197 13.173 1.00 20.00 C ATOM 850 C ARG A 47 -1.685 2.238 12.626 1.00 20.00 C ATOM 851 O ARG A 47 -1.232 3.113 13.361 1.00 20.00 O ATOM 852 CB ARG A 47 -1.925 -0.132 13.383 1.00 20.00 C ATOM 853 CG ARG A 47 -2.784 -1.205 14.031 1.00 20.00 C ATOM 854 CD ARG A 47 -3.303 -0.773 15.391 1.00 20.00 C ATOM 855 NE ARG A 47 -4.370 -1.646 15.873 1.00 20.00 N ATOM 856 CZ ARG A 47 -4.892 -1.571 17.094 1.00 20.00 C ATOM 857 NH1 ARG A 47 -4.384 -0.731 17.988 1.00 20.00 N ATOM 858 NH2 ARG A 47 -5.923 -2.338 17.421 1.00 20.00 N ATOM 0 H ARG A 47 -3.924 0.083 11.926 1.00 20.00 H new ATOM 0 HA ARG A 47 -3.033 1.542 14.135 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -1.569 -0.497 12.420 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -1.045 0.040 14.003 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -3.626 -1.438 13.379 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -2.201 -2.120 14.139 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -2.483 -0.773 16.109 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -3.672 0.251 15.329 1.00 20.00 H new ATOM 0 HE ARG A 47 -4.736 -2.354 15.237 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -3.591 -0.140 17.739 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -4.787 -0.676 18.923 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -6.315 -2.985 16.736 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -6.324 -2.281 18.357 1.00 20.00 H new ATOM 872 N ARG A 48 -1.392 2.152 11.330 1.00 20.00 N ATOM 873 CA ARG A 48 -0.474 3.089 10.687 1.00 20.00 C ATOM 874 C ARG A 48 -1.038 4.505 10.710 1.00 20.00 C ATOM 875 O ARG A 48 -0.306 5.476 10.909 1.00 20.00 O ATOM 876 CB ARG A 48 -0.184 2.671 9.243 1.00 20.00 C ATOM 877 CG ARG A 48 0.904 1.613 9.100 1.00 20.00 C ATOM 878 CD ARG A 48 0.512 0.283 9.727 1.00 20.00 C ATOM 879 NE ARG A 48 1.578 -0.708 9.606 1.00 20.00 N ATOM 880 CZ ARG A 48 1.433 -2.006 9.858 1.00 20.00 C ATOM 881 NH1 ARG A 48 0.250 -2.492 10.219 1.00 20.00 N ATOM 882 NH2 ARG A 48 2.476 -2.821 9.747 1.00 20.00 N ATOM 0 H ARG A 48 -1.777 1.444 10.705 1.00 20.00 H new ATOM 0 HA ARG A 48 0.459 3.072 11.250 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -1.103 2.292 8.796 1.00 20.00 H new ATOM 0 HB3 ARG A 48 0.107 3.554 8.674 1.00 20.00 H new ATOM 0 HG2 ARG A 48 1.122 1.462 8.043 1.00 20.00 H new ATOM 0 HG3 ARG A 48 1.821 1.974 9.566 1.00 20.00 H new ATOM 0 HD2 ARG A 48 0.273 0.434 10.780 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -0.391 -0.094 9.246 1.00 20.00 H new ATOM 0 HE ARG A 48 2.497 -0.382 9.308 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -0.553 -1.869 10.304 1.00 20.00 H new ATOM 0 HH12 ARG A 48 0.145 -3.488 10.411 1.00 20.00 H new ATOM 0 HH21 ARG A 48 3.385 -2.451 9.469 1.00 20.00 H new ATOM 0 HH22 ARG A 48 2.368 -3.817 9.940 1.00 20.00 H new ATOM 896 N MET A 49 -2.346 4.612 10.521 1.00 20.00 N ATOM 897 CA MET A 49 -3.020 5.905 10.539 1.00 20.00 C ATOM 898 C MET A 49 -3.034 6.472 11.952 1.00 20.00 C ATOM 899 O MET A 49 -2.797 7.664 12.161 1.00 20.00 O ATOM 900 CB MET A 49 -4.452 5.772 10.009 1.00 20.00 C ATOM 901 CG MET A 49 -4.534 5.482 8.520 1.00 20.00 C ATOM 902 SD MET A 49 -6.222 5.192 7.962 1.00 20.00 S ATOM 903 CE MET A 49 -5.963 4.970 6.205 1.00 20.00 C ATOM 0 H MET A 49 -2.964 3.818 10.353 1.00 20.00 H new ATOM 0 HA MET A 49 -2.472 6.589 9.891 1.00 20.00 H new ATOM 0 HB2 MET A 49 -4.957 4.974 10.553 1.00 20.00 H new ATOM 0 HB3 MET A 49 -4.994 6.694 10.220 1.00 20.00 H new ATOM 0 HG2 MET A 49 -4.111 6.321 7.967 1.00 20.00 H new ATOM 0 HG3 MET A 49 -3.924 4.608 8.290 1.00 20.00 H new ATOM 0 HE1 MET A 49 -6.905 4.693 5.731 1.00 20.00 H new ATOM 0 HE2 MET A 49 -5.597 5.900 5.771 1.00 20.00 H new ATOM 0 HE3 MET A 49 -5.229 4.181 6.042 1.00 20.00 H new ATOM 913 N ALA A 50 -3.292 5.598 12.919 1.00 20.00 N ATOM 914 CA ALA A 50 -3.329 5.974 14.323 1.00 20.00 C ATOM 915 C ALA A 50 -1.992 6.538 14.778 1.00 20.00 C ATOM 916 O ALA A 50 -1.945 7.456 15.591 1.00 20.00 O ATOM 917 CB ALA A 50 -3.705 4.777 15.175 1.00 20.00 C ATOM 0 H ALA A 50 -3.481 4.610 12.749 1.00 20.00 H new ATOM 0 HA ALA A 50 -4.083 6.752 14.443 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -3.729 5.071 16.224 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -4.688 4.413 14.877 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -2.968 3.986 15.037 1.00 20.00 H new ATOM 923 N GLU A 51 -0.908 5.993 14.237 1.00 20.00 N ATOM 924 CA GLU A 51 0.437 6.437 14.596 1.00 20.00 C ATOM 925 C GLU A 51 0.657 7.893 14.200 1.00 20.00 C ATOM 926 O GLU A 51 1.470 8.595 14.806 1.00 20.00 O ATOM 927 CB GLU A 51 1.494 5.553 13.936 1.00 20.00 C ATOM 928 CG GLU A 51 1.493 4.118 14.433 1.00 20.00 C ATOM 929 CD GLU A 51 2.665 3.327 13.901 1.00 20.00 C ATOM 930 OE1 GLU A 51 3.741 3.362 14.534 1.00 20.00 O ATOM 931 OE2 GLU A 51 2.524 2.682 12.842 1.00 20.00 O ATOM 0 H GLU A 51 -0.933 5.242 13.547 1.00 20.00 H new ATOM 0 HA GLU A 51 0.534 6.353 15.678 1.00 20.00 H new ATOM 0 HB2 GLU A 51 1.333 5.554 12.858 1.00 20.00 H new ATOM 0 HB3 GLU A 51 2.478 5.987 14.112 1.00 20.00 H new ATOM 0 HG2 GLU A 51 1.519 4.113 15.523 1.00 20.00 H new ATOM 0 HG3 GLU A 51 0.564 3.633 14.134 1.00 20.00 H new ATOM 938 N ARG A 52 -0.072 8.341 13.189 1.00 20.00 N ATOM 939 CA ARG A 52 -0.011 9.726 12.754 1.00 20.00 C ATOM 940 C ARG A 52 -0.830 10.604 13.696 1.00 20.00 C ATOM 941 O ARG A 52 -0.362 11.645 14.158 1.00 20.00 O ATOM 942 CB ARG A 52 -0.538 9.858 11.320 1.00 20.00 C ATOM 943 CG ARG A 52 -0.596 11.293 10.817 1.00 20.00 C ATOM 944 CD ARG A 52 -1.271 11.388 9.457 1.00 20.00 C ATOM 945 NE ARG A 52 -0.541 10.658 8.422 1.00 20.00 N ATOM 946 CZ ARG A 52 -0.907 10.609 7.141 1.00 20.00 C ATOM 947 NH1 ARG A 52 -1.995 11.246 6.729 1.00 20.00 N ATOM 948 NH2 ARG A 52 -0.180 9.921 6.267 1.00 20.00 N ATOM 0 H ARG A 52 -0.716 7.760 12.652 1.00 20.00 H new ATOM 0 HA ARG A 52 1.028 10.055 12.775 1.00 20.00 H new ATOM 0 HB2 ARG A 52 0.098 9.275 10.654 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -1.537 9.424 11.268 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -1.138 11.908 11.535 1.00 20.00 H new ATOM 0 HG3 ARG A 52 0.415 11.696 10.750 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -2.285 10.995 9.529 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -1.355 12.436 9.168 1.00 20.00 H new ATOM 0 HE ARG A 52 0.302 10.154 8.697 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -2.557 11.777 7.394 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -2.269 11.204 5.747 1.00 20.00 H new ATOM 0 HH21 ARG A 52 0.659 9.430 6.576 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -0.461 9.884 5.287 1.00 20.00 H new ATOM 962 N PHE A 53 -2.046 10.160 13.997 1.00 20.00 N ATOM 963 CA PHE A 53 -2.940 10.908 14.867 1.00 20.00 C ATOM 964 C PHE A 53 -2.403 10.955 16.293 1.00 20.00 C ATOM 965 O PHE A 53 -2.568 11.952 16.991 1.00 20.00 O ATOM 966 CB PHE A 53 -4.342 10.295 14.854 1.00 20.00 C ATOM 967 CG PHE A 53 -4.997 10.308 13.500 1.00 20.00 C ATOM 968 CD1 PHE A 53 -5.128 11.493 12.789 1.00 20.00 C ATOM 969 CD2 PHE A 53 -5.478 9.137 12.934 1.00 20.00 C ATOM 970 CE1 PHE A 53 -5.727 11.507 11.544 1.00 20.00 C ATOM 971 CE2 PHE A 53 -6.078 9.146 11.688 1.00 20.00 C ATOM 972 CZ PHE A 53 -6.202 10.334 10.994 1.00 20.00 C ATOM 0 H PHE A 53 -2.434 9.283 13.649 1.00 20.00 H new ATOM 0 HA PHE A 53 -2.998 11.928 14.488 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -4.282 9.266 15.208 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -4.973 10.838 15.558 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -4.758 12.414 13.214 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -5.383 8.206 13.473 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -5.823 12.436 11.001 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -6.449 8.227 11.259 1.00 20.00 H new ATOM 0 HZ PHE A 53 -6.671 10.345 10.021 1.00 20.00 H new ATOM 982 N ALA A 54 -1.750 9.878 16.713 1.00 20.00 N ATOM 983 CA ALA A 54 -1.176 9.794 18.049 1.00 20.00 C ATOM 984 C ALA A 54 -0.131 10.880 18.268 1.00 20.00 C ATOM 985 O ALA A 54 -0.075 11.491 19.335 1.00 20.00 O ATOM 986 CB ALA A 54 -0.563 8.421 18.276 1.00 20.00 C ATOM 0 H ALA A 54 -1.605 9.045 16.142 1.00 20.00 H new ATOM 0 HA ALA A 54 -1.979 9.947 18.770 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -0.138 8.374 19.279 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -1.333 7.657 18.172 1.00 20.00 H new ATOM 0 HB3 ALA A 54 0.222 8.247 17.541 1.00 20.00 H new ATOM 992 N LYS A 55 0.683 11.129 17.248 1.00 20.00 N ATOM 993 CA LYS A 55 1.718 12.152 17.328 1.00 20.00 C ATOM 994 C LYS A 55 1.086 13.542 17.393 1.00 20.00 C ATOM 995 O LYS A 55 1.659 14.478 17.951 1.00 20.00 O ATOM 996 CB LYS A 55 2.663 12.045 16.125 1.00 20.00 C ATOM 997 CG LYS A 55 3.842 13.009 16.179 1.00 20.00 C ATOM 998 CD LYS A 55 4.754 12.859 14.972 1.00 20.00 C ATOM 999 CE LYS A 55 5.350 11.461 14.880 1.00 20.00 C ATOM 1000 NZ LYS A 55 6.288 11.333 13.735 1.00 20.00 N ATOM 0 H LYS A 55 0.646 10.636 16.356 1.00 20.00 H new ATOM 0 HA LYS A 55 2.297 11.995 18.238 1.00 20.00 H new ATOM 0 HB2 LYS A 55 3.043 11.025 16.063 1.00 20.00 H new ATOM 0 HB3 LYS A 55 2.096 12.230 15.212 1.00 20.00 H new ATOM 0 HG2 LYS A 55 3.472 14.033 16.229 1.00 20.00 H new ATOM 0 HG3 LYS A 55 4.414 12.832 17.090 1.00 20.00 H new ATOM 0 HD2 LYS A 55 4.192 13.074 14.063 1.00 20.00 H new ATOM 0 HD3 LYS A 55 5.558 13.593 15.031 1.00 20.00 H new ATOM 0 HE2 LYS A 55 5.874 11.228 15.807 1.00 20.00 H new ATOM 0 HE3 LYS A 55 4.548 10.730 14.776 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 6.672 10.367 13.707 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 5.782 11.530 12.848 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 7.067 12.012 13.847 1.00 20.00 H new ATOM 1014 N MET A 56 -0.117 13.651 16.848 1.00 20.00 N ATOM 1015 CA MET A 56 -0.850 14.911 16.828 1.00 20.00 C ATOM 1016 C MET A 56 -1.321 15.284 18.235 1.00 20.00 C ATOM 1017 O MET A 56 -1.645 16.438 18.512 1.00 20.00 O ATOM 1018 CB MET A 56 -2.035 14.804 15.863 1.00 20.00 C ATOM 1019 CG MET A 56 -2.846 16.081 15.713 1.00 20.00 C ATOM 1020 SD MET A 56 -4.145 15.931 14.468 1.00 20.00 S ATOM 1021 CE MET A 56 -5.112 14.578 15.138 1.00 20.00 C ATOM 0 H MET A 56 -0.611 12.874 16.409 1.00 20.00 H new ATOM 0 HA MET A 56 -0.186 15.703 16.480 1.00 20.00 H new ATOM 0 HB2 MET A 56 -1.662 14.508 14.882 1.00 20.00 H new ATOM 0 HB3 MET A 56 -2.696 14.008 16.206 1.00 20.00 H new ATOM 0 HG2 MET A 56 -3.295 16.338 16.673 1.00 20.00 H new ATOM 0 HG3 MET A 56 -2.181 16.901 15.443 1.00 20.00 H new ATOM 0 HE1 MET A 56 -6.171 14.768 14.967 1.00 20.00 H new ATOM 0 HE2 MET A 56 -4.826 13.648 14.646 1.00 20.00 H new ATOM 0 HE3 MET A 56 -4.927 14.494 16.209 1.00 20.00 H new ATOM 1031 N ARG A 57 -1.327 14.299 19.129 1.00 20.00 N ATOM 1032 CA ARG A 57 -1.672 14.525 20.531 1.00 20.00 C ATOM 1033 C ARG A 57 -0.448 15.005 21.308 1.00 20.00 C ATOM 1034 O ARG A 57 -0.462 15.055 22.540 1.00 20.00 O ATOM 1035 CB ARG A 57 -2.231 13.250 21.183 1.00 20.00 C ATOM 1036 CG ARG A 57 -3.709 12.978 20.910 1.00 20.00 C ATOM 1037 CD ARG A 57 -4.022 12.884 19.425 1.00 20.00 C ATOM 1038 NE ARG A 57 -5.326 12.274 19.168 1.00 20.00 N ATOM 1039 CZ ARG A 57 -6.344 12.897 18.575 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -6.260 14.187 18.277 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -7.455 12.230 18.296 1.00 20.00 N ATOM 0 H ARG A 57 -1.096 13.331 18.906 1.00 20.00 H new ATOM 0 HA ARG A 57 -2.445 15.293 20.561 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -1.650 12.397 20.833 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -2.083 13.317 22.261 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -4.000 12.048 21.398 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -4.309 13.772 21.354 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -3.998 13.882 18.987 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -3.247 12.300 18.929 1.00 20.00 H new ATOM 0 HE ARG A 57 -5.466 11.307 19.462 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -5.413 14.708 18.502 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -7.043 14.658 17.823 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -7.530 11.241 18.535 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -8.235 12.705 17.842 1.00 20.00 H new ATOM 1055 N LYS A 58 0.608 15.339 20.562 1.00 20.00 N ATOM 1056 CA LYS A 58 1.868 15.838 21.117 1.00 20.00 C ATOM 1057 C LYS A 58 2.602 14.752 21.890 1.00 20.00 C ATOM 1058 O LYS A 58 2.247 14.436 23.026 1.00 20.00 O ATOM 1059 CB LYS A 58 1.644 17.068 22.001 1.00 20.00 C ATOM 1060 CG LYS A 58 1.141 18.284 21.237 1.00 20.00 C ATOM 1061 CD LYS A 58 2.124 18.703 20.155 1.00 20.00 C ATOM 1062 CE LYS A 58 1.640 19.927 19.399 1.00 20.00 C ATOM 1063 NZ LYS A 58 2.580 20.315 18.312 1.00 20.00 N ATOM 0 H LYS A 58 0.612 15.270 19.544 1.00 20.00 H new ATOM 0 HA LYS A 58 2.493 16.137 20.275 1.00 20.00 H new ATOM 0 HB2 LYS A 58 0.926 16.818 22.782 1.00 20.00 H new ATOM 0 HB3 LYS A 58 2.580 17.323 22.498 1.00 20.00 H new ATOM 0 HG2 LYS A 58 0.175 18.058 20.786 1.00 20.00 H new ATOM 0 HG3 LYS A 58 0.984 19.111 21.929 1.00 20.00 H new ATOM 0 HD2 LYS A 58 3.093 18.914 20.606 1.00 20.00 H new ATOM 0 HD3 LYS A 58 2.270 17.879 19.457 1.00 20.00 H new ATOM 0 HE2 LYS A 58 0.657 19.726 18.974 1.00 20.00 H new ATOM 0 HE3 LYS A 58 1.523 20.760 20.093 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 2.214 21.155 17.820 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 3.512 20.532 18.720 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 2.672 19.530 17.636 1.00 20.00 H new ATOM 1077 N GLU A 59 3.627 14.191 21.253 1.00 20.00 N ATOM 1078 CA GLU A 59 4.448 13.133 21.840 1.00 20.00 C ATOM 1079 C GLU A 59 3.689 11.817 21.955 1.00 20.00 C ATOM 1080 O GLU A 59 2.458 11.779 21.936 1.00 20.00 O ATOM 1081 CB GLU A 59 5.006 13.551 23.204 1.00 20.00 C ATOM 1082 CG GLU A 59 6.051 14.643 23.104 1.00 20.00 C ATOM 1083 CD GLU A 59 7.159 14.275 22.143 1.00 20.00 C ATOM 1084 OE1 GLU A 59 8.020 13.448 22.510 1.00 20.00 O ATOM 1085 OE2 GLU A 59 7.161 14.797 21.009 1.00 20.00 O ATOM 0 H GLU A 59 3.913 14.458 20.311 1.00 20.00 H new ATOM 0 HA GLU A 59 5.285 12.973 21.160 1.00 20.00 H new ATOM 0 HB2 GLU A 59 4.187 13.895 23.836 1.00 20.00 H new ATOM 0 HB3 GLU A 59 5.443 12.681 23.694 1.00 20.00 H new ATOM 0 HG2 GLU A 59 5.579 15.569 22.776 1.00 20.00 H new ATOM 0 HG3 GLU A 59 6.474 14.833 24.091 1.00 20.00 H new ATOM 1092 N ARG A 60 4.440 10.733 22.065 1.00 20.00 N ATOM 1093 CA ARG A 60 3.862 9.399 22.116 1.00 20.00 C ATOM 1094 C ARG A 60 4.253 8.696 23.410 1.00 20.00 C ATOM 1095 O ARG A 60 3.914 7.531 23.626 1.00 20.00 O ATOM 1096 CB ARG A 60 4.341 8.583 20.914 1.00 20.00 C ATOM 1097 CG ARG A 60 4.034 9.236 19.575 1.00 20.00 C ATOM 1098 CD ARG A 60 4.900 8.660 18.466 1.00 20.00 C ATOM 1099 NE ARG A 60 6.324 8.883 18.723 1.00 20.00 N ATOM 1100 CZ ARG A 60 7.302 8.164 18.170 1.00 20.00 C ATOM 1101 NH1 ARG A 60 7.014 7.207 17.295 1.00 20.00 N ATOM 1102 NH2 ARG A 60 8.568 8.409 18.489 1.00 20.00 N ATOM 0 H ARG A 60 5.458 10.751 22.121 1.00 20.00 H new ATOM 0 HA ARG A 60 2.776 9.486 22.084 1.00 20.00 H new ATOM 0 HB2 ARG A 60 5.417 8.429 20.996 1.00 20.00 H new ATOM 0 HB3 ARG A 60 3.874 7.598 20.944 1.00 20.00 H new ATOM 0 HG2 ARG A 60 2.982 9.090 19.330 1.00 20.00 H new ATOM 0 HG3 ARG A 60 4.199 10.311 19.646 1.00 20.00 H new ATOM 0 HD2 ARG A 60 4.710 7.591 18.373 1.00 20.00 H new ATOM 0 HD3 ARG A 60 4.626 9.116 17.515 1.00 20.00 H new ATOM 0 HE ARG A 60 6.584 9.633 19.363 1.00 20.00 H new ATOM 0 HH11 ARG A 60 6.043 7.020 17.044 1.00 20.00 H new ATOM 0 HH12 ARG A 60 7.764 6.659 16.874 1.00 20.00 H new ATOM 0 HH21 ARG A 60 8.792 9.147 19.157 1.00 20.00 H new ATOM 0 HH22 ARG A 60 9.316 7.859 18.066 1.00 20.00 H new ATOM 1116 N SER A 61 4.983 9.425 24.257 1.00 20.00 N ATOM 1117 CA SER A 61 5.465 8.909 25.535 1.00 20.00 C ATOM 1118 C SER A 61 6.368 7.698 25.308 1.00 20.00 C ATOM 1119 O SER A 61 6.307 6.707 26.034 1.00 20.00 O ATOM 1120 CB SER A 61 4.290 8.549 26.458 1.00 20.00 C ATOM 1121 OG SER A 61 4.727 8.308 27.787 1.00 20.00 O ATOM 0 H SER A 61 5.256 10.391 24.074 1.00 20.00 H new ATOM 0 HA SER A 61 6.048 9.689 26.025 1.00 20.00 H new ATOM 0 HB2 SER A 61 3.562 9.360 26.455 1.00 20.00 H new ATOM 0 HB3 SER A 61 3.783 7.664 26.075 1.00 20.00 H new ATOM 0 HG SER A 61 5.436 7.631 27.781 1.00 20.00 H new ATOM 1127 N LYS A 62 7.205 7.786 24.286 1.00 20.00 N ATOM 1128 CA LYS A 62 8.114 6.706 23.952 1.00 20.00 C ATOM 1129 C LYS A 62 9.553 7.198 23.996 1.00 20.00 C ATOM 1130 O LYS A 62 9.837 8.341 23.638 1.00 20.00 O ATOM 1131 CB LYS A 62 7.810 6.151 22.560 1.00 20.00 C ATOM 1132 CG LYS A 62 8.757 5.038 22.151 1.00 20.00 C ATOM 1133 CD LYS A 62 8.595 4.657 20.695 1.00 20.00 C ATOM 1134 CE LYS A 62 9.658 3.655 20.274 1.00 20.00 C ATOM 1135 NZ LYS A 62 11.033 4.202 20.434 1.00 20.00 N ATOM 0 H LYS A 62 7.272 8.598 23.673 1.00 20.00 H new ATOM 0 HA LYS A 62 7.978 5.912 24.686 1.00 20.00 H new ATOM 0 HB2 LYS A 62 6.786 5.777 22.539 1.00 20.00 H new ATOM 0 HB3 LYS A 62 7.870 6.959 21.831 1.00 20.00 H new ATOM 0 HG2 LYS A 62 9.785 5.353 22.330 1.00 20.00 H new ATOM 0 HG3 LYS A 62 8.578 4.163 22.776 1.00 20.00 H new ATOM 0 HD2 LYS A 62 7.605 4.231 20.535 1.00 20.00 H new ATOM 0 HD3 LYS A 62 8.663 5.549 20.072 1.00 20.00 H new ATOM 0 HE2 LYS A 62 9.557 2.748 20.869 1.00 20.00 H new ATOM 0 HE3 LYS A 62 9.499 3.373 19.233 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 11.711 3.588 19.939 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 11.075 5.160 20.031 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 11.276 4.241 21.445 1.00 20.00 H new ATOM 1149 N GLN A 63 10.453 6.343 24.445 1.00 20.00 N ATOM 1150 CA GLN A 63 11.867 6.666 24.450 1.00 20.00 C ATOM 1151 C GLN A 63 12.546 6.011 23.255 1.00 20.00 C ATOM 1152 O GLN A 63 12.139 4.888 22.881 1.00 20.00 O ATOM 1153 CB GLN A 63 12.520 6.227 25.763 1.00 20.00 C ATOM 1154 CG GLN A 63 12.413 4.741 26.042 1.00 20.00 C ATOM 1155 CD GLN A 63 12.937 4.372 27.414 1.00 20.00 C ATOM 1156 OE1 GLN A 63 14.122 4.085 27.584 1.00 20.00 O ATOM 1157 NE2 GLN A 63 12.058 4.375 28.401 1.00 20.00 N ATOM 1158 OXT GLN A 63 13.481 6.614 22.692 1.00 20.00 O ATOM 0 H GLN A 63 10.229 5.418 24.812 1.00 20.00 H new ATOM 0 HA GLN A 63 11.985 7.747 24.370 1.00 20.00 H new ATOM 0 HB2 GLN A 63 13.573 6.507 25.744 1.00 20.00 H new ATOM 0 HB3 GLN A 63 12.060 6.774 26.586 1.00 20.00 H new ATOM 0 HG2 GLN A 63 11.371 4.433 25.959 1.00 20.00 H new ATOM 0 HG3 GLN A 63 12.970 4.191 25.283 1.00 20.00 H new ATOM 0 HE21 GLN A 63 11.085 4.619 28.217 1.00 20.00 H new ATOM 0 HE22 GLN A 63 12.353 4.133 29.347 1.00 20.00 H new TER 1167 GLN A 63