USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 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 Set 1.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 14 THR OG1 : rot 150:sc= 0.0654 USER MOD Single : A 1 LYS NZ :NH3+ 163:sc= -1.12 (180deg=-1.93!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A -4 LYS NZ :NH3+ 168:sc= -0.0153 (180deg=-0.185) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl -126:sc= 0 (180deg=-0.7) USER MOD Single : A -7 MET N :NH3+ -177:sc= 0 (180deg=-0.0104) USER MOD Single : A 10 SER OG : rot -40:sc= 0.0868 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 19 ASN : amide:sc= -0.662 K(o=-0.66,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.83 K(o=0.83,f=-7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 32 SER OG : rot -56:sc= 0.28 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -2:sc= 0.39 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc=-0.00362 (180deg=-0.107) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -40.892 -9.126 -1.697 1.00 20.00 N ATOM 2 CA MET A -7 -39.901 -9.059 -0.595 1.00 20.00 C ATOM 3 C MET A -7 -39.514 -7.617 -0.290 1.00 20.00 C ATOM 4 O MET A -7 -39.978 -7.031 0.692 1.00 20.00 O ATOM 5 CB MET A -7 -38.640 -9.855 -0.947 1.00 20.00 C ATOM 6 CG MET A -7 -38.839 -11.359 -0.963 1.00 20.00 C ATOM 7 SD MET A -7 -37.330 -12.244 -1.393 1.00 20.00 S ATOM 8 CE MET A -7 -37.919 -13.935 -1.384 1.00 20.00 C ATOM 0 H1 MET A -7 -41.176 -10.115 -1.849 1.00 20.00 H new ATOM 0 H2 MET A -7 -41.728 -8.561 -1.447 1.00 20.00 H new ATOM 0 H3 MET A -7 -40.468 -8.749 -2.569 1.00 20.00 H new ATOM 0 HA MET A -7 -40.368 -9.495 0.288 1.00 20.00 H new ATOM 0 HB2 MET A -7 -38.284 -9.536 -1.927 1.00 20.00 H new ATOM 0 HB3 MET A -7 -37.857 -9.611 -0.229 1.00 20.00 H new ATOM 0 HG2 MET A -7 -39.184 -11.688 0.017 1.00 20.00 H new ATOM 0 HG3 MET A -7 -39.622 -11.612 -1.678 1.00 20.00 H new ATOM 0 HE1 MET A -7 -37.293 -14.535 -0.723 1.00 20.00 H new ATOM 0 HE2 MET A -7 -38.949 -13.960 -1.029 1.00 20.00 H new ATOM 0 HE3 MET A -7 -37.874 -14.341 -2.394 1.00 20.00 H new ATOM 20 N ASP A -6 -38.674 -7.043 -1.142 1.00 20.00 N ATOM 21 CA ASP A -6 -38.152 -5.702 -0.919 1.00 20.00 C ATOM 22 C ASP A -6 -39.140 -4.652 -1.409 1.00 20.00 C ATOM 23 O ASP A -6 -39.154 -4.294 -2.589 1.00 20.00 O ATOM 24 CB ASP A -6 -36.803 -5.538 -1.624 1.00 20.00 C ATOM 25 CG ASP A -6 -36.161 -4.190 -1.357 1.00 20.00 C ATOM 26 OD1 ASP A -6 -35.549 -4.023 -0.279 1.00 20.00 O ATOM 27 OD2 ASP A -6 -36.252 -3.298 -2.228 1.00 20.00 O ATOM 0 H ASP A -6 -38.339 -7.488 -1.997 1.00 20.00 H new ATOM 0 HA ASP A -6 -38.008 -5.560 0.152 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -36.128 -6.328 -1.296 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -36.942 -5.663 -2.698 1.00 20.00 H new ATOM 32 N TYR A -5 -39.976 -4.173 -0.502 1.00 20.00 N ATOM 33 CA TYR A -5 -40.977 -3.177 -0.842 1.00 20.00 C ATOM 34 C TYR A -5 -41.248 -2.252 0.341 1.00 20.00 C ATOM 35 O TYR A -5 -42.251 -2.389 1.047 1.00 20.00 O ATOM 36 CB TYR A -5 -42.279 -3.843 -1.313 1.00 20.00 C ATOM 37 CG TYR A -5 -43.346 -2.856 -1.748 1.00 20.00 C ATOM 38 CD1 TYR A -5 -43.051 -1.818 -2.626 1.00 20.00 C ATOM 39 CD2 TYR A -5 -44.649 -2.963 -1.277 1.00 20.00 C ATOM 40 CE1 TYR A -5 -44.022 -0.918 -3.019 1.00 20.00 C ATOM 41 CE2 TYR A -5 -45.625 -2.067 -1.668 1.00 20.00 C ATOM 42 CZ TYR A -5 -45.308 -1.047 -2.537 1.00 20.00 C ATOM 43 OH TYR A -5 -46.280 -0.152 -2.928 1.00 20.00 O ATOM 0 H TYR A -5 -39.980 -4.459 0.477 1.00 20.00 H new ATOM 0 HA TYR A -5 -40.585 -2.577 -1.663 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -42.055 -4.512 -2.144 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -42.674 -4.459 -0.506 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -42.046 -1.714 -3.007 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -44.903 -3.760 -0.594 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -43.776 -0.117 -3.700 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -46.633 -2.166 -1.293 1.00 20.00 H new ATOM 0 HH TYR A -5 -47.130 -0.384 -2.499 1.00 20.00 H new ATOM 53 N LYS A -4 -40.331 -1.328 0.563 1.00 20.00 N ATOM 54 CA LYS A -4 -40.527 -0.267 1.536 1.00 20.00 C ATOM 55 C LYS A -4 -40.356 1.074 0.837 1.00 20.00 C ATOM 56 O LYS A -4 -40.085 2.098 1.466 1.00 20.00 O ATOM 57 CB LYS A -4 -39.545 -0.399 2.709 1.00 20.00 C ATOM 58 CG LYS A -4 -38.077 -0.343 2.302 1.00 20.00 C ATOM 59 CD LYS A -4 -37.157 -0.293 3.514 1.00 20.00 C ATOM 60 CE LYS A -4 -37.236 -1.564 4.347 1.00 20.00 C ATOM 61 NZ LYS A -4 -36.776 -2.756 3.588 1.00 20.00 N ATOM 0 H LYS A -4 -39.435 -1.291 0.078 1.00 20.00 H new ATOM 0 HA LYS A -4 -41.533 -0.341 1.950 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -39.743 0.398 3.426 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -39.733 -1.342 3.222 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -37.834 -1.216 1.697 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -37.906 0.535 1.679 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -36.130 -0.141 3.183 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -37.422 0.563 4.134 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -36.627 -1.448 5.244 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -38.263 -1.718 4.677 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -36.652 -3.556 4.240 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -37.484 -3.003 2.868 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -35.870 -2.544 3.124 1.00 20.00 H new ATOM 75 N ASP A -3 -40.550 1.040 -0.480 1.00 20.00 N ATOM 76 CA ASP A -3 -40.322 2.188 -1.358 1.00 20.00 C ATOM 77 C ASP A -3 -41.180 3.389 -0.981 1.00 20.00 C ATOM 78 O ASP A -3 -40.863 4.518 -1.349 1.00 20.00 O ATOM 79 CB ASP A -3 -40.600 1.799 -2.811 1.00 20.00 C ATOM 80 CG ASP A -3 -39.582 0.819 -3.356 1.00 20.00 C ATOM 81 OD1 ASP A -3 -39.639 -0.373 -2.989 1.00 20.00 O ATOM 82 OD2 ASP A -3 -38.713 1.242 -4.148 1.00 20.00 O ATOM 0 H ASP A -3 -40.873 0.207 -0.973 1.00 20.00 H new ATOM 0 HA ASP A -3 -39.278 2.478 -1.239 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -41.595 1.360 -2.882 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -40.602 2.696 -3.430 1.00 20.00 H new ATOM 87 N ASP A -2 -42.264 3.145 -0.255 1.00 20.00 N ATOM 88 CA ASP A -2 -43.137 4.221 0.206 1.00 20.00 C ATOM 89 C ASP A -2 -42.387 5.177 1.122 1.00 20.00 C ATOM 90 O ASP A -2 -42.760 6.339 1.240 1.00 20.00 O ATOM 91 CB ASP A -2 -44.343 3.659 0.954 1.00 20.00 C ATOM 92 CG ASP A -2 -45.246 2.827 0.072 1.00 20.00 C ATOM 93 OD1 ASP A -2 -46.116 3.407 -0.610 1.00 20.00 O ATOM 94 OD2 ASP A -2 -45.097 1.589 0.072 1.00 20.00 O ATOM 0 H ASP A -2 -42.561 2.211 0.028 1.00 20.00 H new ATOM 0 HA ASP A -2 -43.479 4.763 -0.676 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -43.995 3.049 1.788 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -44.917 4.483 1.379 1.00 20.00 H new ATOM 99 N ASP A -1 -41.338 4.642 1.760 1.00 20.00 N ATOM 100 CA ASP A -1 -40.440 5.358 2.693 1.00 20.00 C ATOM 101 C ASP A -1 -41.172 6.047 3.853 1.00 20.00 C ATOM 102 O ASP A -1 -40.958 5.687 5.010 1.00 20.00 O ATOM 103 CB ASP A -1 -39.468 6.325 1.971 1.00 20.00 C ATOM 104 CG ASP A -1 -40.119 7.482 1.232 1.00 20.00 C ATOM 105 OD1 ASP A -1 -40.413 8.512 1.868 1.00 20.00 O ATOM 106 OD2 ASP A -1 -40.301 7.382 -0.001 1.00 20.00 O ATOM 0 H ASP A -1 -41.077 3.663 1.640 1.00 20.00 H new ATOM 0 HA ASP A -1 -39.833 4.574 3.146 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -38.775 6.732 2.708 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -38.875 5.751 1.259 1.00 20.00 H new ATOM 111 N ASP A 0 -42.027 7.012 3.556 1.00 20.00 N ATOM 112 CA ASP A 0 -42.783 7.726 4.580 1.00 20.00 C ATOM 113 C ASP A 0 -43.722 6.779 5.316 1.00 20.00 C ATOM 114 O ASP A 0 -43.982 6.940 6.504 1.00 20.00 O ATOM 115 CB ASP A 0 -43.588 8.861 3.948 1.00 20.00 C ATOM 116 CG ASP A 0 -44.403 9.634 4.965 1.00 20.00 C ATOM 117 OD1 ASP A 0 -43.802 10.368 5.779 1.00 20.00 O ATOM 118 OD2 ASP A 0 -45.649 9.519 4.947 1.00 20.00 O ATOM 0 H ASP A 0 -42.218 7.324 2.604 1.00 20.00 H new ATOM 0 HA ASP A 0 -42.075 8.143 5.296 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -42.908 9.544 3.438 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -44.255 8.450 3.190 1.00 20.00 H new ATOM 123 N LYS A 1 -44.202 5.772 4.606 1.00 20.00 N ATOM 124 CA LYS A 1 -45.124 4.798 5.182 1.00 20.00 C ATOM 125 C LYS A 1 -44.367 3.749 5.991 1.00 20.00 C ATOM 126 O LYS A 1 -44.961 2.833 6.559 1.00 20.00 O ATOM 127 CB LYS A 1 -45.944 4.123 4.078 1.00 20.00 C ATOM 128 CG LYS A 1 -46.797 5.096 3.269 1.00 20.00 C ATOM 129 CD LYS A 1 -47.904 5.721 4.108 1.00 20.00 C ATOM 130 CE LYS A 1 -49.168 4.868 4.128 1.00 20.00 C ATOM 131 NZ LYS A 1 -48.950 3.531 4.739 1.00 20.00 N ATOM 0 H LYS A 1 -43.970 5.604 3.627 1.00 20.00 H new ATOM 0 HA LYS A 1 -45.803 5.326 5.852 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -45.267 3.599 3.403 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -46.593 3.371 4.527 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -46.162 5.883 2.863 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -47.237 4.572 2.420 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -47.548 5.862 5.128 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -48.142 6.709 3.714 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -49.947 5.393 4.682 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -49.532 4.742 3.108 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -49.867 3.111 4.991 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -48.461 2.914 4.059 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -48.369 3.631 5.595 1.00 20.00 H new ATOM 145 N ASN A 2 -43.050 3.890 6.034 1.00 20.00 N ATOM 146 CA ASN A 2 -42.201 2.986 6.796 1.00 20.00 C ATOM 147 C ASN A 2 -41.241 3.793 7.659 1.00 20.00 C ATOM 148 O ASN A 2 -40.118 3.366 7.935 1.00 20.00 O ATOM 149 CB ASN A 2 -41.411 2.052 5.864 1.00 20.00 C ATOM 150 CG ASN A 2 -42.296 1.064 5.122 1.00 20.00 C ATOM 151 OD1 ASN A 2 -42.572 -0.033 5.610 1.00 20.00 O ATOM 152 ND2 ASN A 2 -42.733 1.439 3.928 1.00 20.00 N ATOM 0 H ASN A 2 -42.543 4.628 5.546 1.00 20.00 H new ATOM 0 HA ASN A 2 -42.836 2.370 7.433 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -40.860 2.652 5.140 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -40.674 1.502 6.449 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -43.320 0.811 3.379 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -42.483 2.356 3.558 1.00 20.00 H new ATOM 159 N ARG A 3 -41.688 4.972 8.073 1.00 20.00 N ATOM 160 CA ARG A 3 -40.870 5.850 8.895 1.00 20.00 C ATOM 161 C ARG A 3 -40.849 5.350 10.337 1.00 20.00 C ATOM 162 O ARG A 3 -41.888 5.007 10.902 1.00 20.00 O ATOM 163 CB ARG A 3 -41.384 7.296 8.822 1.00 20.00 C ATOM 164 CG ARG A 3 -42.815 7.481 9.313 1.00 20.00 C ATOM 165 CD ARG A 3 -43.310 8.898 9.057 1.00 20.00 C ATOM 166 NE ARG A 3 -42.484 9.899 9.735 1.00 20.00 N ATOM 167 CZ ARG A 3 -41.956 10.969 9.136 1.00 20.00 C ATOM 168 NH1 ARG A 3 -42.180 11.201 7.846 1.00 20.00 N ATOM 169 NH2 ARG A 3 -41.211 11.818 9.832 1.00 20.00 N ATOM 0 H ARG A 3 -42.613 5.341 7.852 1.00 20.00 H new ATOM 0 HA ARG A 3 -39.850 5.838 8.511 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -40.725 7.933 9.412 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -41.320 7.640 7.790 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -43.469 6.769 8.810 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -42.867 7.263 10.380 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -43.310 9.094 7.985 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -44.342 8.989 9.397 1.00 20.00 H new ATOM 0 HE ARG A 3 -42.300 9.770 10.730 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -42.760 10.559 7.305 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -41.772 12.021 7.397 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -41.042 11.653 10.824 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -40.807 12.636 9.375 1.00 20.00 H new ATOM 183 N ALA A 4 -39.664 5.294 10.922 1.00 20.00 N ATOM 184 CA ALA A 4 -39.504 4.776 12.270 1.00 20.00 C ATOM 185 C ALA A 4 -38.617 5.696 13.096 1.00 20.00 C ATOM 186 O ALA A 4 -37.555 5.291 13.576 1.00 20.00 O ATOM 187 CB ALA A 4 -38.921 3.373 12.221 1.00 20.00 C ATOM 0 H ALA A 4 -38.796 5.602 10.483 1.00 20.00 H new ATOM 0 HA ALA A 4 -40.483 4.732 12.747 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -38.804 2.992 13.236 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -39.592 2.720 11.663 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -37.949 3.400 11.729 1.00 20.00 H new ATOM 193 N LEU A 5 -39.060 6.933 13.272 1.00 20.00 N ATOM 194 CA LEU A 5 -38.275 7.925 13.993 1.00 20.00 C ATOM 195 C LEU A 5 -38.449 7.775 15.500 1.00 20.00 C ATOM 196 O LEU A 5 -38.988 8.649 16.180 1.00 20.00 O ATOM 197 CB LEU A 5 -38.623 9.353 13.552 1.00 20.00 C ATOM 198 CG LEU A 5 -38.097 9.758 12.168 1.00 20.00 C ATOM 199 CD1 LEU A 5 -38.892 9.092 11.057 1.00 20.00 C ATOM 200 CD2 LEU A 5 -38.122 11.267 12.007 1.00 20.00 C ATOM 0 H LEU A 5 -39.957 7.273 12.926 1.00 20.00 H new ATOM 0 HA LEU A 5 -37.228 7.746 13.748 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -39.707 9.463 13.557 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -38.228 10.050 14.291 1.00 20.00 H new ATOM 0 HG LEU A 5 -37.065 9.416 12.092 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -38.494 9.400 10.090 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -38.815 8.009 11.153 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -39.938 9.389 11.130 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -37.745 11.534 11.020 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -39.145 11.628 12.115 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -37.494 11.725 12.771 1.00 20.00 H new ATOM 212 N SER A 6 -37.998 6.640 15.999 1.00 20.00 N ATOM 213 CA SER A 6 -37.934 6.380 17.422 1.00 20.00 C ATOM 214 C SER A 6 -36.617 6.949 17.956 1.00 20.00 C ATOM 215 O SER A 6 -35.824 7.461 17.163 1.00 20.00 O ATOM 216 CB SER A 6 -38.010 4.866 17.643 1.00 20.00 C ATOM 217 OG SER A 6 -39.067 4.297 16.885 1.00 20.00 O ATOM 0 H SER A 6 -37.664 5.868 15.423 1.00 20.00 H new ATOM 0 HA SER A 6 -38.762 6.852 17.951 1.00 20.00 H new ATOM 0 HB2 SER A 6 -37.064 4.405 17.359 1.00 20.00 H new ATOM 0 HB3 SER A 6 -38.162 4.656 18.702 1.00 20.00 H new ATOM 0 HG SER A 6 -39.096 3.330 17.040 1.00 20.00 H new ATOM 223 N PRO A 7 -36.362 6.908 19.283 1.00 20.00 N ATOM 224 CA PRO A 7 -35.071 7.329 19.840 1.00 20.00 C ATOM 225 C PRO A 7 -33.902 6.785 19.020 1.00 20.00 C ATOM 226 O PRO A 7 -33.101 7.555 18.495 1.00 20.00 O ATOM 227 CB PRO A 7 -35.092 6.726 21.243 1.00 20.00 C ATOM 228 CG PRO A 7 -36.533 6.730 21.618 1.00 20.00 C ATOM 229 CD PRO A 7 -37.302 6.490 20.343 1.00 20.00 C ATOM 0 HA PRO A 7 -34.937 8.411 19.837 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -34.681 5.716 21.249 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -34.497 7.317 21.940 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -36.746 5.953 22.353 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -36.815 7.681 22.069 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -37.585 5.443 20.237 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -38.222 7.073 20.315 1.00 20.00 H new ATOM 237 N MET A 8 -33.830 5.455 18.910 1.00 20.00 N ATOM 238 CA MET A 8 -32.901 4.773 18.002 1.00 20.00 C ATOM 239 C MET A 8 -31.435 4.990 18.385 1.00 20.00 C ATOM 240 O MET A 8 -30.968 6.123 18.528 1.00 20.00 O ATOM 241 CB MET A 8 -33.144 5.233 16.559 1.00 20.00 C ATOM 242 CG MET A 8 -32.352 4.450 15.524 1.00 20.00 C ATOM 243 SD MET A 8 -32.778 2.698 15.511 1.00 20.00 S ATOM 244 CE MET A 8 -31.724 2.109 14.187 1.00 20.00 C ATOM 0 H MET A 8 -34.416 4.818 19.450 1.00 20.00 H new ATOM 0 HA MET A 8 -33.097 3.704 18.086 1.00 20.00 H new ATOM 0 HB2 MET A 8 -34.207 5.144 16.333 1.00 20.00 H new ATOM 0 HB3 MET A 8 -32.888 6.289 16.476 1.00 20.00 H new ATOM 0 HG2 MET A 8 -32.534 4.872 14.536 1.00 20.00 H new ATOM 0 HG3 MET A 8 -31.287 4.560 15.726 1.00 20.00 H new ATOM 0 HE1 MET A 8 -31.871 1.037 14.054 1.00 20.00 H new ATOM 0 HE2 MET A 8 -31.977 2.627 13.262 1.00 20.00 H new ATOM 0 HE3 MET A 8 -30.681 2.304 14.438 1.00 20.00 H new ATOM 254 N VAL A 9 -30.710 3.890 18.549 1.00 20.00 N ATOM 255 CA VAL A 9 -29.277 3.948 18.820 1.00 20.00 C ATOM 256 C VAL A 9 -28.565 4.743 17.720 1.00 20.00 C ATOM 257 O VAL A 9 -28.905 4.637 16.538 1.00 20.00 O ATOM 258 CB VAL A 9 -28.672 2.523 18.936 1.00 20.00 C ATOM 259 CG1 VAL A 9 -28.787 1.759 17.623 1.00 20.00 C ATOM 260 CG2 VAL A 9 -27.223 2.578 19.401 1.00 20.00 C ATOM 0 H VAL A 9 -31.091 2.945 18.499 1.00 20.00 H new ATOM 0 HA VAL A 9 -29.130 4.454 19.774 1.00 20.00 H new ATOM 0 HB VAL A 9 -29.251 1.985 19.687 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -28.354 0.766 17.741 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -29.837 1.666 17.347 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -28.252 2.298 16.841 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -26.825 1.566 19.473 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -26.633 3.150 18.685 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -27.172 3.058 20.378 1.00 20.00 H new ATOM 270 N SER A 10 -27.596 5.562 18.119 1.00 20.00 N ATOM 271 CA SER A 10 -26.906 6.459 17.192 1.00 20.00 C ATOM 272 C SER A 10 -26.022 5.670 16.223 1.00 20.00 C ATOM 273 O SER A 10 -25.519 6.211 15.237 1.00 20.00 O ATOM 274 CB SER A 10 -26.074 7.490 17.964 1.00 20.00 C ATOM 275 OG SER A 10 -25.619 8.529 17.113 1.00 20.00 O ATOM 0 H SER A 10 -27.268 5.624 19.083 1.00 20.00 H new ATOM 0 HA SER A 10 -27.658 6.988 16.607 1.00 20.00 H new ATOM 0 HB2 SER A 10 -26.673 7.914 18.770 1.00 20.00 H new ATOM 0 HB3 SER A 10 -25.220 6.997 18.428 1.00 20.00 H new ATOM 0 HG SER A 10 -25.351 8.151 16.250 1.00 20.00 H new ATOM 281 N GLU A 11 -25.850 4.390 16.508 1.00 20.00 N ATOM 282 CA GLU A 11 -25.139 3.489 15.619 1.00 20.00 C ATOM 283 C GLU A 11 -26.122 2.842 14.654 1.00 20.00 C ATOM 284 O GLU A 11 -26.309 1.623 14.658 1.00 20.00 O ATOM 285 CB GLU A 11 -24.408 2.412 16.422 1.00 20.00 C ATOM 286 CG GLU A 11 -23.241 2.939 17.239 1.00 20.00 C ATOM 287 CD GLU A 11 -22.125 3.478 16.370 1.00 20.00 C ATOM 288 OE1 GLU A 11 -21.405 2.667 15.753 1.00 20.00 O ATOM 289 OE2 GLU A 11 -21.966 4.715 16.291 1.00 20.00 O ATOM 0 H GLU A 11 -26.198 3.948 17.359 1.00 20.00 H new ATOM 0 HA GLU A 11 -24.401 4.059 15.055 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -25.118 1.927 17.092 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -24.043 1.647 15.737 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -23.593 3.728 17.904 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -22.853 2.140 17.870 1.00 20.00 H new ATOM 296 N PHE A 12 -26.765 3.667 13.838 1.00 20.00 N ATOM 297 CA PHE A 12 -27.762 3.180 12.899 1.00 20.00 C ATOM 298 C PHE A 12 -27.105 2.643 11.630 1.00 20.00 C ATOM 299 O PHE A 12 -27.150 3.258 10.566 1.00 20.00 O ATOM 300 CB PHE A 12 -28.811 4.264 12.582 1.00 20.00 C ATOM 301 CG PHE A 12 -28.255 5.620 12.208 1.00 20.00 C ATOM 302 CD1 PHE A 12 -27.868 6.521 13.189 1.00 20.00 C ATOM 303 CD2 PHE A 12 -28.141 6.000 10.877 1.00 20.00 C ATOM 304 CE1 PHE A 12 -27.377 7.768 12.852 1.00 20.00 C ATOM 305 CE2 PHE A 12 -27.648 7.245 10.537 1.00 20.00 C ATOM 306 CZ PHE A 12 -27.266 8.130 11.525 1.00 20.00 C ATOM 0 H PHE A 12 -26.613 4.675 13.809 1.00 20.00 H new ATOM 0 HA PHE A 12 -28.288 2.351 13.371 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -29.438 3.910 11.764 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -29.458 4.383 13.451 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -27.951 6.244 14.230 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -28.441 5.314 10.099 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -27.080 8.459 13.627 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -27.561 7.526 9.498 1.00 20.00 H new ATOM 0 HZ PHE A 12 -26.881 9.104 11.260 1.00 20.00 H new ATOM 316 N GLU A 13 -26.488 1.479 11.764 1.00 20.00 N ATOM 317 CA GLU A 13 -25.869 0.797 10.633 1.00 20.00 C ATOM 318 C GLU A 13 -26.927 0.032 9.845 1.00 20.00 C ATOM 319 O GLU A 13 -26.644 -0.565 8.805 1.00 20.00 O ATOM 320 CB GLU A 13 -24.781 -0.164 11.120 1.00 20.00 C ATOM 321 CG GLU A 13 -23.644 0.518 11.864 1.00 20.00 C ATOM 322 CD GLU A 13 -22.627 -0.470 12.394 1.00 20.00 C ATOM 323 OE1 GLU A 13 -22.844 -1.024 13.490 1.00 20.00 O ATOM 324 OE2 GLU A 13 -21.602 -0.702 11.717 1.00 20.00 O ATOM 0 H GLU A 13 -26.401 0.982 12.651 1.00 20.00 H new ATOM 0 HA GLU A 13 -25.410 1.542 9.983 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -25.234 -0.909 11.774 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -24.372 -0.699 10.263 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -23.148 1.223 11.197 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -24.051 1.096 12.693 1.00 20.00 H new ATOM 331 N THR A 14 -28.154 0.081 10.348 1.00 20.00 N ATOM 332 CA THR A 14 -29.284 -0.600 9.743 1.00 20.00 C ATOM 333 C THR A 14 -29.844 0.197 8.569 1.00 20.00 C ATOM 334 O THR A 14 -31.030 0.539 8.526 1.00 20.00 O ATOM 335 CB THR A 14 -30.382 -0.829 10.794 1.00 20.00 C ATOM 336 OG1 THR A 14 -30.496 0.334 11.627 1.00 20.00 O ATOM 337 CG2 THR A 14 -30.073 -2.043 11.652 1.00 20.00 C ATOM 0 H THR A 14 -28.391 0.599 11.194 1.00 20.00 H new ATOM 0 HA THR A 14 -28.938 -1.562 9.365 1.00 20.00 H new ATOM 0 HB THR A 14 -31.324 -1.009 10.275 1.00 20.00 H new ATOM 0 HG1 THR A 14 -31.420 0.421 11.942 1.00 20.00 H new ATOM 0 HG21 THR A 14 -30.866 -2.181 12.387 1.00 20.00 H new ATOM 0 HG22 THR A 14 -30.006 -2.928 11.019 1.00 20.00 H new ATOM 0 HG23 THR A 14 -29.124 -1.893 12.167 1.00 20.00 H new ATOM 345 N ILE A 15 -28.975 0.495 7.624 1.00 20.00 N ATOM 346 CA ILE A 15 -29.343 1.262 6.447 1.00 20.00 C ATOM 347 C ILE A 15 -29.812 0.342 5.330 1.00 20.00 C ATOM 348 O ILE A 15 -29.663 -0.875 5.428 1.00 20.00 O ATOM 349 CB ILE A 15 -28.160 2.117 5.948 1.00 20.00 C ATOM 350 CG1 ILE A 15 -26.918 1.239 5.768 1.00 20.00 C ATOM 351 CG2 ILE A 15 -27.885 3.257 6.917 1.00 20.00 C ATOM 352 CD1 ILE A 15 -25.703 1.988 5.274 1.00 20.00 C ATOM 0 H ILE A 15 -27.995 0.214 7.649 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.160 1.926 6.731 1.00 20.00 H new ATOM 0 HB ILE A 15 -28.418 2.550 4.982 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -26.678 0.767 6.721 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -27.150 0.439 5.065 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -27.048 3.851 6.551 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -28.770 3.888 6.997 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -27.640 2.850 7.898 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -24.866 1.297 5.172 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -25.922 2.438 4.306 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -25.443 2.770 5.987 1.00 20.00 H new ATOM 364 N GLU A 16 -30.374 0.909 4.272 1.00 20.00 N ATOM 365 CA GLU A 16 -30.830 0.113 3.137 1.00 20.00 C ATOM 366 C GLU A 16 -29.683 -0.711 2.553 1.00 20.00 C ATOM 367 O GLU A 16 -29.869 -1.868 2.171 1.00 20.00 O ATOM 368 CB GLU A 16 -31.465 1.010 2.066 1.00 20.00 C ATOM 369 CG GLU A 16 -30.561 2.115 1.536 1.00 20.00 C ATOM 370 CD GLU A 16 -31.302 3.069 0.623 1.00 20.00 C ATOM 371 OE1 GLU A 16 -32.007 3.960 1.138 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.189 2.929 -0.614 1.00 20.00 O ATOM 0 H GLU A 16 -30.526 1.913 4.174 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.592 -0.581 3.492 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.779 0.386 1.230 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.365 1.464 2.480 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.139 2.670 2.374 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.726 1.671 0.994 1.00 20.00 H new ATOM 379 N GLN A 17 -28.488 -0.127 2.544 1.00 20.00 N ATOM 380 CA GLN A 17 -27.304 -0.804 2.027 1.00 20.00 C ATOM 381 C GLN A 17 -26.964 -2.036 2.862 1.00 20.00 C ATOM 382 O GLN A 17 -26.417 -3.008 2.343 1.00 20.00 O ATOM 383 CB GLN A 17 -26.107 0.147 1.990 1.00 20.00 C ATOM 384 CG GLN A 17 -26.246 1.272 0.977 1.00 20.00 C ATOM 385 CD GLN A 17 -25.055 2.214 0.987 1.00 20.00 C ATOM 386 OE1 GLN A 17 -23.936 1.814 1.308 1.00 20.00 O ATOM 387 NE2 GLN A 17 -25.281 3.465 0.617 1.00 20.00 N ATOM 0 H GLN A 17 -28.314 0.817 2.890 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.528 -1.127 1.011 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.968 0.579 2.981 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.208 -0.425 1.762 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.360 0.847 -0.020 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.154 1.837 1.189 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -26.223 3.758 0.358 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.513 4.136 0.591 1.00 20.00 H new ATOM 396 N GLU A 18 -27.309 -2.004 4.147 1.00 20.00 N ATOM 397 CA GLU A 18 -27.040 -3.134 5.031 1.00 20.00 C ATOM 398 C GLU A 18 -27.769 -4.371 4.532 1.00 20.00 C ATOM 399 O GLU A 18 -27.219 -5.468 4.532 1.00 20.00 O ATOM 400 CB GLU A 18 -27.473 -2.836 6.474 1.00 20.00 C ATOM 401 CG GLU A 18 -27.360 -4.044 7.396 1.00 20.00 C ATOM 402 CD GLU A 18 -27.958 -3.810 8.767 1.00 20.00 C ATOM 403 OE1 GLU A 18 -29.196 -3.674 8.863 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.195 -3.804 9.759 1.00 20.00 O ATOM 0 H GLU A 18 -27.772 -1.214 4.596 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.964 -3.310 5.024 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.861 -2.026 6.870 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.505 -2.484 6.472 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.858 -4.895 6.931 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.309 -4.311 7.507 1.00 20.00 H new ATOM 411 N ASN A 19 -28.997 -4.176 4.073 1.00 20.00 N ATOM 412 CA ASN A 19 -29.829 -5.283 3.618 1.00 20.00 C ATOM 413 C ASN A 19 -29.258 -5.899 2.348 1.00 20.00 C ATOM 414 O ASN A 19 -29.491 -7.072 2.058 1.00 20.00 O ATOM 415 CB ASN A 19 -31.266 -4.820 3.379 1.00 20.00 C ATOM 416 CG ASN A 19 -31.905 -4.253 4.631 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.440 -4.990 5.458 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.864 -2.937 4.778 1.00 20.00 N ATOM 0 H ASN A 19 -29.441 -3.260 4.005 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.836 -6.042 4.400 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.276 -4.063 2.595 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.861 -5.660 3.019 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.285 -2.502 5.599 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.411 -2.359 4.070 1.00 20.00 H new ATOM 425 N SER A 20 -28.498 -5.105 1.609 1.00 20.00 N ATOM 426 CA SER A 20 -27.845 -5.579 0.401 1.00 20.00 C ATOM 427 C SER A 20 -26.712 -6.540 0.758 1.00 20.00 C ATOM 428 O SER A 20 -26.545 -7.585 0.130 1.00 20.00 O ATOM 429 CB SER A 20 -27.311 -4.390 -0.402 1.00 20.00 C ATOM 430 OG SER A 20 -28.324 -3.412 -0.584 1.00 20.00 O ATOM 0 H SER A 20 -28.319 -4.125 1.827 1.00 20.00 H new ATOM 0 HA SER A 20 -28.570 -6.115 -0.211 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.460 -3.948 0.116 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.951 -4.732 -1.372 1.00 20.00 H new ATOM 0 HG SER A 20 -27.963 -2.659 -1.098 1.00 20.00 H new ATOM 436 N TYR A 21 -25.958 -6.193 1.797 1.00 20.00 N ATOM 437 CA TYR A 21 -24.842 -7.020 2.237 1.00 20.00 C ATOM 438 C TYR A 21 -25.346 -8.174 3.093 1.00 20.00 C ATOM 439 O TYR A 21 -24.767 -9.256 3.091 1.00 20.00 O ATOM 440 CB TYR A 21 -23.826 -6.181 3.020 1.00 20.00 C ATOM 441 CG TYR A 21 -23.305 -4.992 2.243 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.639 -5.166 1.037 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.496 -3.696 2.704 1.00 20.00 C ATOM 444 CE1 TYR A 21 -22.174 -4.083 0.315 1.00 20.00 C ATOM 445 CE2 TYR A 21 -23.038 -2.608 1.987 1.00 20.00 C ATOM 446 CZ TYR A 21 -22.378 -2.808 0.793 1.00 20.00 C ATOM 447 OH TYR A 21 -21.925 -1.727 0.074 1.00 20.00 O ATOM 0 H TYR A 21 -26.100 -5.346 2.348 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.346 -7.428 1.356 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.290 -5.829 3.942 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.987 -6.814 3.307 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.482 -6.165 0.657 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.012 -3.536 3.639 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -21.654 -4.236 -0.619 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -23.196 -1.607 2.359 1.00 20.00 H new ATOM 0 HH TYR A 21 -22.151 -0.900 0.549 1.00 20.00 H new ATOM 457 N ASN A 22 -26.445 -7.931 3.803 1.00 20.00 N ATOM 458 CA ASN A 22 -27.073 -8.939 4.658 1.00 20.00 C ATOM 459 C ASN A 22 -27.376 -10.198 3.852 1.00 20.00 C ATOM 460 O ASN A 22 -27.213 -11.311 4.342 1.00 20.00 O ATOM 461 CB ASN A 22 -28.366 -8.376 5.274 1.00 20.00 C ATOM 462 CG ASN A 22 -28.931 -9.223 6.410 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.773 -10.441 6.452 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.604 -8.573 7.347 1.00 20.00 N ATOM 0 H ASN A 22 -26.926 -7.031 3.803 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.385 -9.198 5.462 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.171 -7.370 5.646 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.120 -8.286 4.492 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.008 -9.084 8.132 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.718 -7.561 7.284 1.00 20.00 H new ATOM 471 N GLU A 23 -27.789 -10.007 2.604 1.00 20.00 N ATOM 472 CA GLU A 23 -28.108 -11.121 1.722 1.00 20.00 C ATOM 473 C GLU A 23 -26.877 -12.001 1.489 1.00 20.00 C ATOM 474 O GLU A 23 -26.957 -13.227 1.571 1.00 20.00 O ATOM 475 CB GLU A 23 -28.647 -10.601 0.386 1.00 20.00 C ATOM 476 CG GLU A 23 -29.101 -11.702 -0.559 1.00 20.00 C ATOM 477 CD GLU A 23 -29.562 -11.165 -1.897 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.763 -10.863 -2.041 1.00 20.00 O ATOM 479 OE2 GLU A 23 -28.722 -11.044 -2.816 1.00 20.00 O ATOM 0 H GLU A 23 -27.911 -9.087 2.180 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.876 -11.727 2.201 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.485 -9.931 0.578 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.872 -10.011 -0.103 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.281 -12.403 -0.716 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.914 -12.261 -0.096 1.00 20.00 H new ATOM 486 N TRP A 24 -25.738 -11.372 1.225 1.00 20.00 N ATOM 487 CA TRP A 24 -24.511 -12.109 0.944 1.00 20.00 C ATOM 488 C TRP A 24 -23.890 -12.639 2.233 1.00 20.00 C ATOM 489 O TRP A 24 -23.349 -13.744 2.265 1.00 20.00 O ATOM 490 CB TRP A 24 -23.512 -11.229 0.189 1.00 20.00 C ATOM 491 CG TRP A 24 -24.045 -10.717 -1.114 1.00 20.00 C ATOM 492 CD1 TRP A 24 -24.660 -11.447 -2.090 1.00 20.00 C ATOM 493 CD2 TRP A 24 -23.995 -9.368 -1.593 1.00 20.00 C ATOM 494 NE1 TRP A 24 -25.015 -10.632 -3.136 1.00 20.00 N ATOM 495 CE2 TRP A 24 -24.613 -9.352 -2.859 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.494 -8.173 -1.075 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -24.742 -8.187 -3.610 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.623 -7.016 -1.822 1.00 20.00 C ATOM 499 CH2 TRP A 24 -24.242 -7.031 -3.079 1.00 20.00 C ATOM 0 H TRP A 24 -25.638 -10.357 1.200 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.765 -12.960 0.312 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.234 -10.383 0.818 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.602 -11.800 0.003 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.841 -12.511 -2.046 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -25.500 -10.931 -3.982 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.014 -8.152 -0.108 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -25.220 -8.196 -4.578 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.240 -6.085 -1.430 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -24.326 -6.111 -3.639 1.00 20.00 H new ATOM 510 N LEU A 25 -23.991 -11.858 3.300 1.00 20.00 N ATOM 511 CA LEU A 25 -23.483 -12.274 4.603 1.00 20.00 C ATOM 512 C LEU A 25 -24.307 -13.434 5.147 1.00 20.00 C ATOM 513 O LEU A 25 -23.814 -14.249 5.920 1.00 20.00 O ATOM 514 CB LEU A 25 -23.497 -11.107 5.601 1.00 20.00 C ATOM 515 CG LEU A 25 -22.201 -10.285 5.703 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.056 -11.146 6.219 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.830 -9.659 4.365 1.00 20.00 C ATOM 0 H LEU A 25 -24.420 -10.933 3.290 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.451 -12.600 4.472 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.309 -10.433 5.329 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.730 -11.504 6.589 1.00 20.00 H new ATOM 0 HG LEU A 25 -22.380 -9.478 6.413 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.149 -10.545 6.283 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.307 -11.531 7.207 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.891 -11.979 5.536 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.909 -9.086 4.474 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.682 -10.445 3.624 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -22.632 -8.998 4.038 1.00 20.00 H new ATOM 529 N ARG A 26 -25.561 -13.506 4.721 1.00 20.00 N ATOM 530 CA ARG A 26 -26.454 -14.579 5.132 1.00 20.00 C ATOM 531 C ARG A 26 -26.024 -15.897 4.495 1.00 20.00 C ATOM 532 O ARG A 26 -26.314 -16.974 5.009 1.00 20.00 O ATOM 533 CB ARG A 26 -27.896 -14.247 4.736 1.00 20.00 C ATOM 534 CG ARG A 26 -28.947 -15.083 5.449 1.00 20.00 C ATOM 535 CD ARG A 26 -28.876 -14.902 6.959 1.00 20.00 C ATOM 536 NE ARG A 26 -28.881 -13.489 7.347 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.895 -13.065 8.610 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.924 -13.940 9.607 1.00 20.00 N ATOM 539 NH2 ARG A 26 -28.870 -11.764 8.870 1.00 20.00 N ATOM 0 H ARG A 26 -25.984 -12.829 4.087 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.402 -14.681 6.216 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.084 -13.194 4.943 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.006 -14.385 3.660 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.939 -14.802 5.094 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.806 -16.135 5.201 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.722 -15.408 7.424 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -27.972 -15.378 7.338 1.00 20.00 H new ATOM 0 HE ARG A 26 -28.873 -12.788 6.606 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -28.936 -14.940 9.408 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.935 -13.612 10.573 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -28.840 -11.091 8.104 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -28.881 -11.437 9.836 1.00 20.00 H new ATOM 553 N ALA A 27 -25.324 -15.803 3.373 1.00 20.00 N ATOM 554 CA ALA A 27 -24.822 -16.982 2.687 1.00 20.00 C ATOM 555 C ALA A 27 -23.468 -17.387 3.245 1.00 20.00 C ATOM 556 O ALA A 27 -23.129 -18.565 3.294 1.00 20.00 O ATOM 557 CB ALA A 27 -24.718 -16.723 1.197 1.00 20.00 C ATOM 0 H ALA A 27 -25.091 -14.920 2.919 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.524 -17.800 2.851 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.341 -17.616 0.698 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.703 -16.475 0.801 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.036 -15.892 1.019 1.00 20.00 H new ATOM 563 N LYS A 28 -22.706 -16.397 3.671 1.00 20.00 N ATOM 564 CA LYS A 28 -21.363 -16.620 4.190 1.00 20.00 C ATOM 565 C LYS A 28 -21.383 -16.833 5.700 1.00 20.00 C ATOM 566 O LYS A 28 -20.333 -16.992 6.320 1.00 20.00 O ATOM 567 CB LYS A 28 -20.459 -15.435 3.849 1.00 20.00 C ATOM 568 CG LYS A 28 -20.313 -15.188 2.355 1.00 20.00 C ATOM 569 CD LYS A 28 -19.497 -13.938 2.075 1.00 20.00 C ATOM 570 CE LYS A 28 -18.056 -14.074 2.551 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.301 -12.806 2.383 1.00 20.00 N ATOM 0 H LYS A 28 -22.996 -15.419 3.669 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.970 -17.522 3.720 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.859 -14.537 4.319 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.472 -15.607 4.278 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.834 -16.049 1.888 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.300 -15.088 1.903 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.507 -13.732 1.005 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.962 -13.084 2.568 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.045 -14.368 3.601 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.562 -14.869 1.993 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.325 -12.936 2.717 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.290 -12.539 1.378 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.759 -12.054 2.936 1.00 20.00 H new ATOM 585 N VAL A 29 -22.582 -16.828 6.279 1.00 20.00 N ATOM 586 CA VAL A 29 -22.750 -16.883 7.732 1.00 20.00 C ATOM 587 C VAL A 29 -22.060 -18.103 8.353 1.00 20.00 C ATOM 588 O VAL A 29 -21.687 -18.082 9.528 1.00 20.00 O ATOM 589 CB VAL A 29 -24.248 -16.865 8.128 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.943 -18.155 7.724 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.410 -16.602 9.618 1.00 20.00 C ATOM 0 H VAL A 29 -23.459 -16.786 5.760 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.269 -15.989 8.129 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.726 -16.050 7.585 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.992 -18.110 8.016 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.872 -18.284 6.644 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.464 -18.998 8.222 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.470 -16.594 9.873 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.907 -17.387 10.183 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.969 -15.637 9.867 1.00 20.00 H new ATOM 601 N ALA A 30 -21.872 -19.157 7.564 1.00 20.00 N ATOM 602 CA ALA A 30 -21.159 -20.338 8.032 1.00 20.00 C ATOM 603 C ALA A 30 -19.658 -20.066 8.068 1.00 20.00 C ATOM 604 O ALA A 30 -18.887 -20.640 7.299 1.00 20.00 O ATOM 605 CB ALA A 30 -21.471 -21.538 7.153 1.00 20.00 C ATOM 0 H ALA A 30 -22.203 -19.216 6.601 1.00 20.00 H new ATOM 0 HA ALA A 30 -21.493 -20.568 9.044 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -20.928 -22.409 7.520 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -22.542 -21.740 7.180 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -21.167 -21.327 6.128 1.00 20.00 H new ATOM 611 N THR A 31 -19.260 -19.170 8.956 1.00 20.00 N ATOM 612 CA THR A 31 -17.869 -18.783 9.100 1.00 20.00 C ATOM 613 C THR A 31 -17.158 -19.712 10.079 1.00 20.00 C ATOM 614 O THR A 31 -17.779 -20.253 10.994 1.00 20.00 O ATOM 615 CB THR A 31 -17.758 -17.327 9.596 1.00 20.00 C ATOM 616 OG1 THR A 31 -18.653 -17.121 10.697 1.00 20.00 O ATOM 617 CG2 THR A 31 -18.083 -16.338 8.486 1.00 20.00 C ATOM 0 H THR A 31 -19.893 -18.691 9.597 1.00 20.00 H new ATOM 0 HA THR A 31 -17.393 -18.860 8.122 1.00 20.00 H new ATOM 0 HB THR A 31 -16.730 -17.157 9.916 1.00 20.00 H new ATOM 0 HG1 THR A 31 -18.579 -16.195 11.010 1.00 20.00 H new ATOM 0 HG21 THR A 31 -17.996 -15.321 8.868 1.00 20.00 H new ATOM 0 HG22 THR A 31 -17.386 -16.476 7.660 1.00 20.00 H new ATOM 0 HG23 THR A 31 -19.101 -16.507 8.134 1.00 20.00 H new ATOM 625 N SER A 32 -15.857 -19.885 9.899 1.00 20.00 N ATOM 626 CA SER A 32 -15.091 -20.794 10.740 1.00 20.00 C ATOM 627 C SER A 32 -14.540 -20.050 11.958 1.00 20.00 C ATOM 628 O SER A 32 -13.414 -20.288 12.397 1.00 20.00 O ATOM 629 CB SER A 32 -13.957 -21.434 9.928 1.00 20.00 C ATOM 630 OG SER A 32 -13.333 -22.491 10.639 1.00 20.00 O ATOM 0 H SER A 32 -15.311 -19.410 9.181 1.00 20.00 H new ATOM 0 HA SER A 32 -15.747 -21.588 11.096 1.00 20.00 H new ATOM 0 HB2 SER A 32 -14.353 -21.813 8.986 1.00 20.00 H new ATOM 0 HB3 SER A 32 -13.215 -20.675 9.679 1.00 20.00 H new ATOM 0 HG SER A 32 -13.010 -22.159 11.503 1.00 20.00 H new ATOM 636 N LEU A 33 -15.350 -19.151 12.501 1.00 20.00 N ATOM 637 CA LEU A 33 -14.961 -18.351 13.657 1.00 20.00 C ATOM 638 C LEU A 33 -15.728 -18.792 14.896 1.00 20.00 C ATOM 639 O LEU A 33 -15.816 -18.060 15.883 1.00 20.00 O ATOM 640 CB LEU A 33 -15.223 -16.866 13.390 1.00 20.00 C ATOM 641 CG LEU A 33 -14.387 -16.238 12.272 1.00 20.00 C ATOM 642 CD1 LEU A 33 -14.849 -14.815 12.001 1.00 20.00 C ATOM 643 CD2 LEU A 33 -12.909 -16.251 12.635 1.00 20.00 C ATOM 0 H LEU A 33 -16.290 -18.956 12.156 1.00 20.00 H new ATOM 0 HA LEU A 33 -13.895 -18.500 13.830 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -16.278 -16.740 13.145 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -15.041 -16.312 14.311 1.00 20.00 H new ATOM 0 HG LEU A 33 -14.526 -16.830 11.367 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -14.245 -14.382 11.204 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -15.896 -14.824 11.699 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -14.737 -14.218 12.906 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -12.332 -15.800 11.827 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -12.755 -15.683 13.552 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -12.580 -17.279 12.786 1.00 20.00 H new ATOM 655 N ALA A 34 -16.286 -19.990 14.834 1.00 20.00 N ATOM 656 CA ALA A 34 -17.065 -20.527 15.937 1.00 20.00 C ATOM 657 C ALA A 34 -16.288 -21.618 16.663 1.00 20.00 C ATOM 658 O ALA A 34 -16.293 -22.777 16.249 1.00 20.00 O ATOM 659 CB ALA A 34 -18.396 -21.063 15.431 1.00 20.00 C ATOM 0 H ALA A 34 -16.213 -20.611 14.028 1.00 20.00 H new ATOM 0 HA ALA A 34 -17.262 -19.722 16.645 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -18.969 -21.462 16.268 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -18.957 -20.257 14.959 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -18.217 -21.855 14.704 1.00 20.00 H new ATOM 665 N ASP A 35 -15.606 -21.238 17.734 1.00 20.00 N ATOM 666 CA ASP A 35 -14.844 -22.190 18.534 1.00 20.00 C ATOM 667 C ASP A 35 -15.784 -23.050 19.368 1.00 20.00 C ATOM 668 O ASP A 35 -16.792 -22.554 19.873 1.00 20.00 O ATOM 669 CB ASP A 35 -13.864 -21.466 19.466 1.00 20.00 C ATOM 670 CG ASP A 35 -12.746 -20.763 18.725 1.00 20.00 C ATOM 671 OD1 ASP A 35 -12.968 -19.638 18.227 1.00 20.00 O ATOM 672 OD2 ASP A 35 -11.631 -21.321 18.647 1.00 20.00 O ATOM 0 H ASP A 35 -15.564 -20.276 18.071 1.00 20.00 H new ATOM 0 HA ASP A 35 -14.279 -22.822 17.849 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -14.411 -20.736 20.062 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -13.434 -22.187 20.161 1.00 20.00 H new ATOM 677 N PRO A 36 -15.487 -24.353 19.508 1.00 20.00 N ATOM 678 CA PRO A 36 -16.256 -25.253 20.372 1.00 20.00 C ATOM 679 C PRO A 36 -15.962 -24.998 21.849 1.00 20.00 C ATOM 680 O PRO A 36 -15.449 -25.866 22.562 1.00 20.00 O ATOM 681 CB PRO A 36 -15.783 -26.657 19.966 1.00 20.00 C ATOM 682 CG PRO A 36 -14.936 -26.466 18.750 1.00 20.00 C ATOM 683 CD PRO A 36 -14.403 -25.066 18.827 1.00 20.00 C ATOM 0 HA PRO A 36 -17.331 -25.114 20.253 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -15.214 -27.125 20.769 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -16.630 -27.309 19.754 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -14.123 -27.191 18.724 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -15.521 -26.610 17.842 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -13.470 -25.017 19.388 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -14.203 -24.653 17.838 1.00 20.00 H new ATOM 691 N ARG A 37 -16.281 -23.794 22.291 1.00 20.00 N ATOM 692 CA ARG A 37 -16.000 -23.365 23.649 1.00 20.00 C ATOM 693 C ARG A 37 -17.246 -23.499 24.519 1.00 20.00 C ATOM 694 O ARG A 37 -18.275 -22.884 24.234 1.00 20.00 O ATOM 695 CB ARG A 37 -15.514 -21.912 23.636 1.00 20.00 C ATOM 696 CG ARG A 37 -15.149 -21.369 25.005 1.00 20.00 C ATOM 697 CD ARG A 37 -14.662 -19.933 24.914 1.00 20.00 C ATOM 698 NE ARG A 37 -14.294 -19.388 26.220 1.00 20.00 N ATOM 699 CZ ARG A 37 -13.785 -18.167 26.401 1.00 20.00 C ATOM 700 NH1 ARG A 37 -13.568 -17.373 25.360 1.00 20.00 N ATOM 701 NH2 ARG A 37 -13.485 -17.748 27.623 1.00 20.00 N ATOM 0 H ARG A 37 -16.742 -23.087 21.718 1.00 20.00 H new ATOM 0 HA ARG A 37 -15.220 -24.000 24.069 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -14.644 -21.837 22.983 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -16.292 -21.284 23.203 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -16.017 -21.421 25.663 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -14.373 -21.991 25.451 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -13.801 -19.885 24.247 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -15.443 -19.314 24.471 1.00 20.00 H new ATOM 0 HE ARG A 37 -14.435 -19.976 27.042 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -13.790 -17.695 24.418 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -13.179 -16.441 25.502 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -13.643 -18.359 28.425 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -13.096 -16.815 27.761 1.00 20.00 H new ATOM 715 N PRO A 38 -17.168 -24.305 25.592 1.00 20.00 N ATOM 716 CA PRO A 38 -18.296 -24.526 26.505 1.00 20.00 C ATOM 717 C PRO A 38 -18.527 -23.344 27.444 1.00 20.00 C ATOM 718 O PRO A 38 -18.553 -23.491 28.668 1.00 20.00 O ATOM 719 CB PRO A 38 -17.870 -25.763 27.292 1.00 20.00 C ATOM 720 CG PRO A 38 -16.382 -25.713 27.296 1.00 20.00 C ATOM 721 CD PRO A 38 -15.976 -25.078 25.992 1.00 20.00 C ATOM 0 HA PRO A 38 -19.238 -24.646 25.970 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -18.270 -25.745 28.306 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -18.234 -26.676 26.822 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -16.015 -25.132 28.142 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -15.960 -26.714 27.389 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -15.104 -24.435 26.114 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -15.716 -25.828 25.245 1.00 20.00 H new ATOM 729 N ALA A 39 -18.692 -22.177 26.856 1.00 20.00 N ATOM 730 CA ALA A 39 -18.934 -20.958 27.601 1.00 20.00 C ATOM 731 C ALA A 39 -20.103 -20.207 26.985 1.00 20.00 C ATOM 732 O ALA A 39 -20.654 -20.649 25.974 1.00 20.00 O ATOM 733 CB ALA A 39 -17.681 -20.093 27.615 1.00 20.00 C ATOM 0 H ALA A 39 -18.662 -22.046 25.845 1.00 20.00 H new ATOM 0 HA ALA A 39 -19.184 -21.208 28.632 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -17.875 -19.180 28.178 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -16.865 -20.642 28.085 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -17.404 -19.837 26.592 1.00 20.00 H new ATOM 739 N ILE A 40 -20.494 -19.098 27.598 1.00 20.00 N ATOM 740 CA ILE A 40 -21.544 -18.247 27.049 1.00 20.00 C ATOM 741 C ILE A 40 -21.155 -17.762 25.654 1.00 20.00 C ATOM 742 O ILE A 40 -20.146 -17.074 25.484 1.00 20.00 O ATOM 743 CB ILE A 40 -21.827 -17.029 27.956 1.00 20.00 C ATOM 744 CG1 ILE A 40 -22.250 -17.489 29.354 1.00 20.00 C ATOM 745 CG2 ILE A 40 -22.904 -16.147 27.338 1.00 20.00 C ATOM 746 CD1 ILE A 40 -22.461 -16.354 30.329 1.00 20.00 C ATOM 0 H ILE A 40 -20.100 -18.765 28.478 1.00 20.00 H new ATOM 0 HA ILE A 40 -22.452 -18.847 26.992 1.00 20.00 H new ATOM 0 HB ILE A 40 -20.911 -16.445 28.048 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -23.173 -18.064 29.274 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -21.489 -18.161 29.751 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -23.092 -15.293 27.989 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -22.569 -15.793 26.363 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -23.822 -16.723 27.220 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -22.759 -16.757 31.297 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -21.534 -15.792 30.439 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -23.243 -15.693 29.955 1.00 20.00 H new ATOM 758 N PRO A 41 -21.937 -18.139 24.636 1.00 20.00 N ATOM 759 CA PRO A 41 -21.655 -17.778 23.249 1.00 20.00 C ATOM 760 C PRO A 41 -22.135 -16.368 22.906 1.00 20.00 C ATOM 761 O PRO A 41 -22.981 -15.797 23.597 1.00 20.00 O ATOM 762 CB PRO A 41 -22.455 -18.818 22.468 1.00 20.00 C ATOM 763 CG PRO A 41 -23.633 -19.111 23.332 1.00 20.00 C ATOM 764 CD PRO A 41 -23.162 -18.955 24.756 1.00 20.00 C ATOM 0 HA PRO A 41 -20.588 -17.772 23.028 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -22.762 -18.434 21.495 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -21.865 -19.716 22.284 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -24.453 -18.426 23.116 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -24.005 -20.120 23.154 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -23.912 -18.461 25.373 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -22.955 -19.921 25.217 1.00 20.00 H new ATOM 772 N HIS A 42 -21.604 -15.820 21.818 1.00 20.00 N ATOM 773 CA HIS A 42 -22.001 -14.493 21.352 1.00 20.00 C ATOM 774 C HIS A 42 -23.282 -14.596 20.545 1.00 20.00 C ATOM 775 O HIS A 42 -23.824 -13.596 20.072 1.00 20.00 O ATOM 776 CB HIS A 42 -20.898 -13.843 20.505 1.00 20.00 C ATOM 777 CG HIS A 42 -19.656 -13.511 21.273 1.00 20.00 C ATOM 778 ND1 HIS A 42 -19.241 -12.218 21.507 1.00 20.00 N ATOM 779 CD2 HIS A 42 -18.730 -14.310 21.853 1.00 20.00 C ATOM 780 CE1 HIS A 42 -18.117 -12.237 22.196 1.00 20.00 C ATOM 781 NE2 HIS A 42 -17.784 -13.492 22.420 1.00 20.00 N ATOM 0 H HIS A 42 -20.896 -16.274 21.240 1.00 20.00 H new ATOM 0 HA HIS A 42 -22.168 -13.862 22.225 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -20.638 -14.515 19.687 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -21.290 -12.931 20.055 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -18.734 -15.390 21.867 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -17.562 -11.370 22.522 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -16.959 -13.805 22.931 1.00 20.00 H new ATOM 790 N ASP A 43 -23.765 -15.824 20.402 1.00 20.00 N ATOM 791 CA ASP A 43 -25.014 -16.090 19.707 1.00 20.00 C ATOM 792 C ASP A 43 -26.190 -15.582 20.527 1.00 20.00 C ATOM 793 O ASP A 43 -27.299 -15.433 20.015 1.00 20.00 O ATOM 794 CB ASP A 43 -25.175 -17.588 19.439 1.00 20.00 C ATOM 795 CG ASP A 43 -24.044 -18.157 18.606 1.00 20.00 C ATOM 796 OD1 ASP A 43 -23.027 -18.577 19.193 1.00 20.00 O ATOM 797 OD2 ASP A 43 -24.167 -18.193 17.363 1.00 20.00 O ATOM 0 H ASP A 43 -23.303 -16.659 20.763 1.00 20.00 H new ATOM 0 HA ASP A 43 -24.992 -15.566 18.752 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -25.224 -18.120 20.389 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -26.121 -17.762 18.927 1.00 20.00 H new ATOM 802 N GLU A 44 -25.930 -15.309 21.803 1.00 20.00 N ATOM 803 CA GLU A 44 -26.937 -14.773 22.710 1.00 20.00 C ATOM 804 C GLU A 44 -27.453 -13.428 22.199 1.00 20.00 C ATOM 805 O GLU A 44 -28.656 -13.171 22.192 1.00 20.00 O ATOM 806 CB GLU A 44 -26.340 -14.619 24.114 1.00 20.00 C ATOM 807 CG GLU A 44 -27.322 -14.115 25.158 1.00 20.00 C ATOM 808 CD GLU A 44 -28.505 -15.043 25.346 1.00 20.00 C ATOM 809 OE1 GLU A 44 -28.298 -16.198 25.771 1.00 20.00 O ATOM 810 OE2 GLU A 44 -29.651 -14.616 25.092 1.00 20.00 O ATOM 0 H GLU A 44 -25.017 -15.453 22.235 1.00 20.00 H new ATOM 0 HA GLU A 44 -27.777 -15.466 22.756 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -25.947 -15.583 24.437 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -25.496 -13.931 24.064 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -26.804 -13.996 26.110 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -27.682 -13.129 24.865 1.00 20.00 H new ATOM 817 N VAL A 45 -26.534 -12.583 21.745 1.00 20.00 N ATOM 818 CA VAL A 45 -26.893 -11.280 21.195 1.00 20.00 C ATOM 819 C VAL A 45 -27.657 -11.461 19.888 1.00 20.00 C ATOM 820 O VAL A 45 -28.623 -10.749 19.603 1.00 20.00 O ATOM 821 CB VAL A 45 -25.641 -10.415 20.940 1.00 20.00 C ATOM 822 CG1 VAL A 45 -26.028 -9.026 20.454 1.00 20.00 C ATOM 823 CG2 VAL A 45 -24.786 -10.331 22.194 1.00 20.00 C ATOM 0 H VAL A 45 -25.533 -12.777 21.747 1.00 20.00 H new ATOM 0 HA VAL A 45 -27.522 -10.770 21.925 1.00 20.00 H new ATOM 0 HB VAL A 45 -25.053 -10.891 20.156 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -25.127 -8.437 20.282 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -26.590 -9.109 19.524 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -26.644 -8.535 21.208 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -23.908 -9.717 21.995 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -25.366 -9.883 23.001 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -24.470 -11.332 22.487 1.00 20.00 H new ATOM 833 N GLU A 46 -27.223 -12.448 19.119 1.00 20.00 N ATOM 834 CA GLU A 46 -27.840 -12.777 17.840 1.00 20.00 C ATOM 835 C GLU A 46 -29.294 -13.207 18.021 1.00 20.00 C ATOM 836 O GLU A 46 -30.124 -12.981 17.146 1.00 20.00 O ATOM 837 CB GLU A 46 -27.059 -13.899 17.154 1.00 20.00 C ATOM 838 CG GLU A 46 -27.633 -14.323 15.814 1.00 20.00 C ATOM 839 CD GLU A 46 -27.057 -15.635 15.334 1.00 20.00 C ATOM 840 OE1 GLU A 46 -27.563 -16.694 15.754 1.00 20.00 O ATOM 841 OE2 GLU A 46 -26.098 -15.617 14.540 1.00 20.00 O ATOM 0 H GLU A 46 -26.433 -13.045 19.363 1.00 20.00 H new ATOM 0 HA GLU A 46 -27.819 -11.881 17.219 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -26.029 -13.574 17.010 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -27.031 -14.765 17.816 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -28.716 -14.413 15.897 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -27.433 -13.548 15.074 1.00 20.00 H new ATOM 848 N ARG A 47 -29.594 -13.818 19.164 1.00 20.00 N ATOM 849 CA ARG A 47 -30.931 -14.342 19.433 1.00 20.00 C ATOM 850 C ARG A 47 -31.996 -13.257 19.298 1.00 20.00 C ATOM 851 O ARG A 47 -33.053 -13.489 18.714 1.00 20.00 O ATOM 852 CB ARG A 47 -31.000 -14.962 20.832 1.00 20.00 C ATOM 853 CG ARG A 47 -30.094 -16.173 21.040 1.00 20.00 C ATOM 854 CD ARG A 47 -30.455 -17.340 20.124 1.00 20.00 C ATOM 855 NE ARG A 47 -29.933 -17.177 18.763 1.00 20.00 N ATOM 856 CZ ARG A 47 -30.592 -17.541 17.660 1.00 20.00 C ATOM 857 NH1 ARG A 47 -31.827 -18.022 17.746 1.00 20.00 N ATOM 858 NH2 ARG A 47 -30.019 -17.418 16.467 1.00 20.00 N ATOM 0 H ARG A 47 -28.927 -13.963 19.922 1.00 20.00 H new ATOM 0 HA ARG A 47 -31.131 -15.113 18.689 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -30.738 -14.199 21.566 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -32.030 -15.257 21.033 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -29.059 -15.883 20.862 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -30.160 -16.497 22.079 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -30.064 -18.264 20.550 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -31.539 -17.441 20.083 1.00 20.00 H new ATOM 0 HE ARG A 47 -29.009 -16.760 18.652 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -32.276 -18.115 18.657 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -32.327 -18.299 16.901 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -29.073 -17.045 16.392 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -30.525 -17.697 15.627 1.00 20.00 H new ATOM 872 N ARG A 48 -31.706 -12.068 19.816 1.00 20.00 N ATOM 873 CA ARG A 48 -32.654 -10.960 19.759 1.00 20.00 C ATOM 874 C ARG A 48 -32.883 -10.533 18.310 1.00 20.00 C ATOM 875 O ARG A 48 -33.992 -10.162 17.920 1.00 20.00 O ATOM 876 CB ARG A 48 -32.140 -9.770 20.569 1.00 20.00 C ATOM 877 CG ARG A 48 -33.189 -8.692 20.800 1.00 20.00 C ATOM 878 CD ARG A 48 -32.579 -7.434 21.394 1.00 20.00 C ATOM 879 NE ARG A 48 -31.782 -6.700 20.412 1.00 20.00 N ATOM 880 CZ ARG A 48 -30.587 -6.166 20.659 1.00 20.00 C ATOM 881 NH1 ARG A 48 -29.999 -6.347 21.837 1.00 20.00 N ATOM 882 NH2 ARG A 48 -29.970 -5.465 19.715 1.00 20.00 N ATOM 0 H ARG A 48 -30.824 -11.847 20.279 1.00 20.00 H new ATOM 0 HA ARG A 48 -33.598 -11.297 20.187 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -31.779 -10.127 21.534 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -31.287 -9.330 20.052 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -33.676 -8.450 19.855 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -33.961 -9.073 21.468 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -33.372 -6.790 21.773 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -31.952 -7.701 22.245 1.00 20.00 H new ATOM 0 HE ARG A 48 -32.167 -6.589 19.474 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -30.463 -6.898 22.559 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -29.084 -5.935 22.019 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -30.411 -5.337 18.804 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -29.055 -5.055 19.901 1.00 20.00 H new ATOM 896 N MET A 49 -31.827 -10.611 17.513 1.00 20.00 N ATOM 897 CA MET A 49 -31.894 -10.229 16.109 1.00 20.00 C ATOM 898 C MET A 49 -32.527 -11.345 15.290 1.00 20.00 C ATOM 899 O MET A 49 -33.110 -11.107 14.231 1.00 20.00 O ATOM 900 CB MET A 49 -30.497 -9.899 15.577 1.00 20.00 C ATOM 901 CG MET A 49 -29.876 -8.672 16.222 1.00 20.00 C ATOM 902 SD MET A 49 -28.222 -8.324 15.604 1.00 20.00 S ATOM 903 CE MET A 49 -27.853 -6.807 16.482 1.00 20.00 C ATOM 0 H MET A 49 -30.909 -10.937 17.816 1.00 20.00 H new ATOM 0 HA MET A 49 -32.514 -9.337 16.019 1.00 20.00 H new ATOM 0 HB2 MET A 49 -29.843 -10.756 15.741 1.00 20.00 H new ATOM 0 HB3 MET A 49 -30.555 -9.743 14.500 1.00 20.00 H new ATOM 0 HG2 MET A 49 -30.516 -7.808 16.041 1.00 20.00 H new ATOM 0 HG3 MET A 49 -29.833 -8.817 17.302 1.00 20.00 H new ATOM 0 HE1 MET A 49 -26.857 -6.460 16.207 1.00 20.00 H new ATOM 0 HE2 MET A 49 -28.588 -6.046 16.219 1.00 20.00 H new ATOM 0 HE3 MET A 49 -27.889 -6.990 17.556 1.00 20.00 H new ATOM 913 N ALA A 50 -32.407 -12.566 15.789 1.00 20.00 N ATOM 914 CA ALA A 50 -33.049 -13.714 15.176 1.00 20.00 C ATOM 915 C ALA A 50 -34.562 -13.595 15.287 1.00 20.00 C ATOM 916 O ALA A 50 -35.299 -14.054 14.415 1.00 20.00 O ATOM 917 CB ALA A 50 -32.566 -15.000 15.826 1.00 20.00 C ATOM 0 H ALA A 50 -31.865 -12.786 16.625 1.00 20.00 H new ATOM 0 HA ALA A 50 -32.781 -13.740 14.120 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -33.057 -15.852 15.355 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -31.487 -15.088 15.701 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -32.808 -14.984 16.889 1.00 20.00 H new ATOM 923 N GLU A 51 -35.013 -12.962 16.366 1.00 20.00 N ATOM 924 CA GLU A 51 -36.433 -12.713 16.571 1.00 20.00 C ATOM 925 C GLU A 51 -36.948 -11.678 15.575 1.00 20.00 C ATOM 926 O GLU A 51 -38.124 -11.684 15.213 1.00 20.00 O ATOM 927 CB GLU A 51 -36.705 -12.239 17.997 1.00 20.00 C ATOM 928 CG GLU A 51 -36.449 -13.293 19.061 1.00 20.00 C ATOM 929 CD GLU A 51 -37.078 -12.927 20.389 1.00 20.00 C ATOM 930 OE1 GLU A 51 -38.294 -13.171 20.558 1.00 20.00 O ATOM 931 OE2 GLU A 51 -36.375 -12.382 21.259 1.00 20.00 O ATOM 0 H GLU A 51 -34.413 -12.612 17.113 1.00 20.00 H new ATOM 0 HA GLU A 51 -36.961 -13.653 16.410 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -36.081 -11.370 18.205 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -37.742 -11.911 18.068 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -36.846 -14.251 18.724 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -35.375 -13.421 19.192 1.00 20.00 H new ATOM 938 N ARG A 52 -36.066 -10.791 15.136 1.00 20.00 N ATOM 939 CA ARG A 52 -36.418 -9.825 14.109 1.00 20.00 C ATOM 940 C ARG A 52 -36.501 -10.529 12.761 1.00 20.00 C ATOM 941 O ARG A 52 -37.410 -10.281 11.974 1.00 20.00 O ATOM 942 CB ARG A 52 -35.397 -8.683 14.061 1.00 20.00 C ATOM 943 CG ARG A 52 -35.672 -7.652 12.972 1.00 20.00 C ATOM 944 CD ARG A 52 -36.998 -6.932 13.187 1.00 20.00 C ATOM 945 NE ARG A 52 -36.998 -6.121 14.405 1.00 20.00 N ATOM 946 CZ ARG A 52 -38.085 -5.535 14.915 1.00 20.00 C ATOM 947 NH1 ARG A 52 -39.255 -5.636 14.297 1.00 20.00 N ATOM 948 NH2 ARG A 52 -37.997 -4.827 16.031 1.00 20.00 N ATOM 0 H ARG A 52 -35.106 -10.721 15.474 1.00 20.00 H new ATOM 0 HA ARG A 52 -37.389 -9.391 14.347 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -35.383 -8.180 15.028 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -34.403 -9.104 13.906 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -34.863 -6.922 12.951 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -35.681 -8.145 12.000 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -37.206 -6.294 12.328 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -37.803 -7.665 13.241 1.00 20.00 H new ATOM 0 HE ARG A 52 -36.113 -5.995 14.895 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -39.328 -6.164 13.427 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -40.081 -5.186 14.692 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -37.098 -4.728 16.503 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -38.828 -4.380 16.419 1.00 20.00 H new ATOM 962 N PHE A 53 -35.562 -11.438 12.522 1.00 20.00 N ATOM 963 CA PHE A 53 -35.549 -12.230 11.298 1.00 20.00 C ATOM 964 C PHE A 53 -36.758 -13.160 11.256 1.00 20.00 C ATOM 965 O PHE A 53 -37.205 -13.575 10.188 1.00 20.00 O ATOM 966 CB PHE A 53 -34.251 -13.039 11.200 1.00 20.00 C ATOM 967 CG PHE A 53 -34.133 -13.856 9.941 1.00 20.00 C ATOM 968 CD1 PHE A 53 -33.963 -13.240 8.710 1.00 20.00 C ATOM 969 CD2 PHE A 53 -34.198 -15.240 9.990 1.00 20.00 C ATOM 970 CE1 PHE A 53 -33.859 -13.990 7.553 1.00 20.00 C ATOM 971 CE2 PHE A 53 -34.096 -15.994 8.836 1.00 20.00 C ATOM 972 CZ PHE A 53 -33.925 -15.368 7.617 1.00 20.00 C ATOM 0 H PHE A 53 -34.796 -11.645 13.163 1.00 20.00 H new ATOM 0 HA PHE A 53 -35.601 -11.553 10.445 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -33.404 -12.356 11.258 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -34.184 -13.705 12.061 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -33.911 -12.163 8.655 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -34.330 -15.735 10.941 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -33.726 -13.499 6.600 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -34.150 -17.071 8.888 1.00 20.00 H new ATOM 0 HZ PHE A 53 -33.843 -15.956 6.715 1.00 20.00 H new ATOM 982 N ALA A 54 -37.294 -13.465 12.433 1.00 20.00 N ATOM 983 CA ALA A 54 -38.483 -14.299 12.555 1.00 20.00 C ATOM 984 C ALA A 54 -39.696 -13.628 11.917 1.00 20.00 C ATOM 985 O ALA A 54 -40.694 -14.278 11.615 1.00 20.00 O ATOM 986 CB ALA A 54 -38.761 -14.607 14.015 1.00 20.00 C ATOM 0 H ALA A 54 -36.918 -13.143 13.325 1.00 20.00 H new ATOM 0 HA ALA A 54 -38.296 -15.232 12.024 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -39.652 -15.231 14.092 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -37.910 -15.136 14.444 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -38.922 -13.676 14.559 1.00 20.00 H new ATOM 992 N LYS A 55 -39.605 -12.320 11.720 1.00 20.00 N ATOM 993 CA LYS A 55 -40.664 -11.575 11.057 1.00 20.00 C ATOM 994 C LYS A 55 -40.420 -11.538 9.554 1.00 20.00 C ATOM 995 O LYS A 55 -41.337 -11.318 8.766 1.00 20.00 O ATOM 996 CB LYS A 55 -40.745 -10.150 11.612 1.00 20.00 C ATOM 997 CG LYS A 55 -40.993 -10.090 13.115 1.00 20.00 C ATOM 998 CD LYS A 55 -42.307 -10.752 13.505 1.00 20.00 C ATOM 999 CE LYS A 55 -43.508 -10.035 12.904 1.00 20.00 C ATOM 1000 NZ LYS A 55 -44.788 -10.692 13.276 1.00 20.00 N ATOM 0 H LYS A 55 -38.808 -11.753 12.010 1.00 20.00 H new ATOM 0 HA LYS A 55 -41.612 -12.077 11.248 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -39.815 -9.628 11.385 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -41.544 -9.615 11.099 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -40.171 -10.580 13.637 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -41.001 -9.049 13.439 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -42.302 -11.790 13.174 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -42.398 -10.764 14.591 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -43.520 -8.999 13.243 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -43.413 -10.014 11.818 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -45.581 -10.174 12.847 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -44.788 -11.673 12.931 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -44.892 -10.689 14.311 1.00 20.00 H new ATOM 1014 N MET A 56 -39.172 -11.744 9.167 1.00 20.00 N ATOM 1015 CA MET A 56 -38.790 -11.765 7.760 1.00 20.00 C ATOM 1016 C MET A 56 -38.845 -13.182 7.189 1.00 20.00 C ATOM 1017 O MET A 56 -38.601 -13.387 5.999 1.00 20.00 O ATOM 1018 CB MET A 56 -37.382 -11.186 7.563 1.00 20.00 C ATOM 1019 CG MET A 56 -37.314 -9.662 7.586 1.00 20.00 C ATOM 1020 SD MET A 56 -37.846 -8.944 9.153 1.00 20.00 S ATOM 1021 CE MET A 56 -37.577 -7.201 8.832 1.00 20.00 C ATOM 0 H MET A 56 -38.398 -11.901 9.812 1.00 20.00 H new ATOM 0 HA MET A 56 -39.508 -11.145 7.223 1.00 20.00 H new ATOM 0 HB2 MET A 56 -36.730 -11.578 8.343 1.00 20.00 H new ATOM 0 HB3 MET A 56 -36.988 -11.540 6.611 1.00 20.00 H new ATOM 0 HG2 MET A 56 -36.291 -9.348 7.380 1.00 20.00 H new ATOM 0 HG3 MET A 56 -37.936 -9.266 6.784 1.00 20.00 H new ATOM 0 HE1 MET A 56 -37.860 -6.621 9.711 1.00 20.00 H new ATOM 0 HE2 MET A 56 -36.524 -7.030 8.609 1.00 20.00 H new ATOM 0 HE3 MET A 56 -38.183 -6.890 7.981 1.00 20.00 H new ATOM 1031 N ARG A 57 -39.169 -14.157 8.033 1.00 20.00 N ATOM 1032 CA ARG A 57 -39.218 -15.552 7.597 1.00 20.00 C ATOM 1033 C ARG A 57 -40.353 -15.768 6.596 1.00 20.00 C ATOM 1034 O ARG A 57 -40.284 -16.653 5.747 1.00 20.00 O ATOM 1035 CB ARG A 57 -39.385 -16.507 8.787 1.00 20.00 C ATOM 1036 CG ARG A 57 -40.736 -16.405 9.478 1.00 20.00 C ATOM 1037 CD ARG A 57 -40.982 -17.571 10.425 1.00 20.00 C ATOM 1038 NE ARG A 57 -39.945 -17.693 11.449 1.00 20.00 N ATOM 1039 CZ ARG A 57 -40.192 -17.836 12.753 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -41.438 -17.797 13.211 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -39.189 -18.009 13.601 1.00 20.00 N ATOM 0 H ARG A 57 -39.400 -14.011 9.016 1.00 20.00 H new ATOM 0 HA ARG A 57 -38.268 -15.773 7.111 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -39.242 -17.531 8.441 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -38.600 -16.304 9.515 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -40.789 -15.469 10.034 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -41.526 -16.375 8.727 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -41.951 -17.444 10.908 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -41.031 -18.496 9.851 1.00 20.00 H new ATOM 0 HE ARG A 57 -38.971 -17.667 11.148 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -42.215 -17.657 12.565 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -41.618 -17.907 14.209 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -38.229 -18.033 13.257 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -39.377 -18.118 14.598 1.00 20.00 H new ATOM 1055 N LYS A 58 -41.394 -14.951 6.702 1.00 20.00 N ATOM 1056 CA LYS A 58 -42.524 -15.025 5.784 1.00 20.00 C ATOM 1057 C LYS A 58 -42.201 -14.293 4.487 1.00 20.00 C ATOM 1058 O LYS A 58 -42.873 -14.470 3.473 1.00 20.00 O ATOM 1059 CB LYS A 58 -43.772 -14.423 6.433 1.00 20.00 C ATOM 1060 CG LYS A 58 -43.601 -12.969 6.850 1.00 20.00 C ATOM 1061 CD LYS A 58 -44.817 -12.457 7.603 1.00 20.00 C ATOM 1062 CE LYS A 58 -44.608 -11.032 8.092 1.00 20.00 C ATOM 1063 NZ LYS A 58 -45.745 -10.554 8.923 1.00 20.00 N ATOM 0 H LYS A 58 -41.479 -14.228 7.416 1.00 20.00 H new ATOM 0 HA LYS A 58 -42.718 -16.073 5.554 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -44.606 -14.496 5.735 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -44.037 -15.015 7.309 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -42.716 -12.872 7.478 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -43.434 -12.354 5.966 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -45.692 -12.496 6.954 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -45.022 -13.108 8.453 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -43.687 -10.980 8.673 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -44.482 -10.370 7.235 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -45.561 -9.579 9.235 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -46.620 -10.579 8.361 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -45.850 -11.170 9.755 1.00 20.00 H new ATOM 1077 N GLU A 59 -41.157 -13.480 4.533 1.00 20.00 N ATOM 1078 CA GLU A 59 -40.734 -12.705 3.380 1.00 20.00 C ATOM 1079 C GLU A 59 -39.708 -13.487 2.576 1.00 20.00 C ATOM 1080 O GLU A 59 -39.830 -13.633 1.360 1.00 20.00 O ATOM 1081 CB GLU A 59 -40.134 -11.371 3.831 1.00 20.00 C ATOM 1082 CG GLU A 59 -41.094 -10.500 4.625 1.00 20.00 C ATOM 1083 CD GLU A 59 -42.247 -9.988 3.788 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -43.256 -10.705 3.649 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -42.151 -8.855 3.274 1.00 20.00 O ATOM 0 H GLU A 59 -40.584 -13.340 5.365 1.00 20.00 H new ATOM 0 HA GLU A 59 -41.603 -12.507 2.753 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -39.251 -11.568 4.439 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -39.800 -10.819 2.953 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -41.487 -11.072 5.466 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -40.549 -9.653 5.042 1.00 20.00 H new ATOM 1092 N ARG A 60 -38.703 -14.001 3.270 1.00 20.00 N ATOM 1093 CA ARG A 60 -37.636 -14.760 2.632 1.00 20.00 C ATOM 1094 C ARG A 60 -37.919 -16.259 2.697 1.00 20.00 C ATOM 1095 O ARG A 60 -38.477 -16.835 1.761 1.00 20.00 O ATOM 1096 CB ARG A 60 -36.285 -14.447 3.288 1.00 20.00 C ATOM 1097 CG ARG A 60 -35.819 -13.013 3.082 1.00 20.00 C ATOM 1098 CD ARG A 60 -35.459 -12.746 1.628 1.00 20.00 C ATOM 1099 NE ARG A 60 -34.404 -13.643 1.162 1.00 20.00 N ATOM 1100 CZ ARG A 60 -33.868 -13.607 -0.057 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -34.286 -12.717 -0.949 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -32.916 -14.470 -0.380 1.00 20.00 N ATOM 0 H ARG A 60 -38.604 -13.906 4.281 1.00 20.00 H new ATOM 0 HA ARG A 60 -37.593 -14.464 1.584 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -36.356 -14.646 4.357 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -35.531 -15.125 2.887 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -36.605 -12.326 3.395 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -34.953 -12.817 3.714 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -36.345 -12.870 1.005 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -35.133 -11.712 1.517 1.00 20.00 H new ATOM 0 HE ARG A 60 -34.054 -14.345 1.815 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -35.022 -12.055 -0.703 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -33.871 -12.695 -1.881 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -32.597 -15.157 0.303 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -32.502 -14.447 -1.312 1.00 20.00 H new ATOM 1116 N SER A 61 -37.539 -16.885 3.805 1.00 20.00 N ATOM 1117 CA SER A 61 -37.752 -18.314 4.007 1.00 20.00 C ATOM 1118 C SER A 61 -37.707 -18.637 5.499 1.00 20.00 C ATOM 1119 O SER A 61 -37.250 -17.817 6.302 1.00 20.00 O ATOM 1120 CB SER A 61 -36.687 -19.135 3.263 1.00 20.00 C ATOM 1121 OG SER A 61 -36.711 -18.879 1.866 1.00 20.00 O ATOM 0 H SER A 61 -37.077 -16.419 4.586 1.00 20.00 H new ATOM 0 HA SER A 61 -38.731 -18.578 3.607 1.00 20.00 H new ATOM 0 HB2 SER A 61 -35.700 -18.897 3.660 1.00 20.00 H new ATOM 0 HB3 SER A 61 -36.855 -20.197 3.442 1.00 20.00 H new ATOM 0 HG SER A 61 -37.430 -18.245 1.662 1.00 20.00 H new ATOM 1127 N LYS A 62 -38.174 -19.823 5.870 1.00 20.00 N ATOM 1128 CA LYS A 62 -38.151 -20.250 7.262 1.00 20.00 C ATOM 1129 C LYS A 62 -37.531 -21.639 7.384 1.00 20.00 C ATOM 1130 O LYS A 62 -38.158 -22.585 7.868 1.00 20.00 O ATOM 1131 CB LYS A 62 -39.563 -20.219 7.861 1.00 20.00 C ATOM 1132 CG LYS A 62 -40.599 -21.007 7.075 1.00 20.00 C ATOM 1133 CD LYS A 62 -41.977 -20.867 7.700 1.00 20.00 C ATOM 1134 CE LYS A 62 -43.018 -21.697 6.968 1.00 20.00 C ATOM 1135 NZ LYS A 62 -42.777 -23.155 7.113 1.00 20.00 N ATOM 0 H LYS A 62 -38.573 -20.506 5.226 1.00 20.00 H new ATOM 0 HA LYS A 62 -37.533 -19.554 7.828 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -39.521 -20.611 8.877 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -39.891 -19.182 7.932 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -40.625 -20.653 6.044 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -40.315 -22.059 7.044 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -41.935 -21.176 8.744 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -42.276 -19.819 7.690 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -44.009 -21.454 7.352 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -43.012 -21.433 5.910 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -43.596 -23.680 6.746 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -41.926 -23.421 6.577 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -42.640 -23.386 8.118 1.00 20.00 H new ATOM 1149 N GLN A 63 -36.293 -21.752 6.938 1.00 20.00 N ATOM 1150 CA GLN A 63 -35.581 -23.019 6.965 1.00 20.00 C ATOM 1151 C GLN A 63 -34.188 -22.836 7.562 1.00 20.00 C ATOM 1152 O GLN A 63 -34.022 -23.100 8.768 1.00 20.00 O ATOM 1153 CB GLN A 63 -35.503 -23.613 5.553 1.00 20.00 C ATOM 1154 CG GLN A 63 -35.102 -22.607 4.487 1.00 20.00 C ATOM 1155 CD GLN A 63 -35.045 -23.213 3.102 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -34.005 -23.711 2.671 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -36.161 -23.168 2.392 1.00 20.00 N ATOM 1158 OXT GLN A 63 -33.270 -22.396 6.842 1.00 20.00 O ATOM 0 H GLN A 63 -35.756 -20.977 6.550 1.00 20.00 H new ATOM 0 HA GLN A 63 -36.128 -23.717 7.598 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -34.786 -24.434 5.553 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -36.473 -24.037 5.293 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -35.813 -21.780 4.488 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -34.127 -22.189 4.736 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -37.001 -22.746 2.788 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -36.181 -23.556 1.449 1.00 20.00 H new TER 1167 GLN A 63