USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 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+ -172:sc=-0.00797 (180deg=-0.106) USER MOD Single : A 2 ASN : amide:sc= -0.553! C(o=-0.55!,f=-8.7!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -155:sc= -0.182 (180deg=-0.871) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -104:sc= 0.0519 USER MOD Single : A 17 GLN : amide:sc= -0.781 K(o=-0.78,f=-4.9!) USER MOD Single : A 19 ASN : amide:sc= -1.75! K(o=-1.7!,f=-0.019) USER MOD Single : A 20 SER OG : rot 78:sc= 0.514 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.587 K(o=-0.59,f=-6.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -51:sc= 0.419 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0804 X(o=-0.08,f=0) 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+ -167:sc= 0.0179 (180deg=-0.186) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0632 USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= -0.0125 (180deg=-0.122) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -46.184 40.485 -5.181 1.00 20.00 N ATOM 2 CA MET A -7 -46.444 41.408 -6.310 1.00 20.00 C ATOM 3 C MET A -7 -45.657 40.980 -7.542 1.00 20.00 C ATOM 4 O MET A -7 -46.231 40.555 -8.542 1.00 20.00 O ATOM 5 CB MET A -7 -46.064 42.847 -5.938 1.00 20.00 C ATOM 6 CG MET A -7 -46.206 43.830 -7.094 1.00 20.00 C ATOM 7 SD MET A -7 -45.427 45.421 -6.759 1.00 20.00 S ATOM 8 CE MET A -7 -45.682 46.261 -8.320 1.00 20.00 C ATOM 0 H1 MET A -7 -46.728 40.792 -4.350 1.00 20.00 H new ATOM 0 H2 MET A -7 -46.471 39.522 -5.447 1.00 20.00 H new ATOM 0 H3 MET A -7 -45.169 40.493 -4.953 1.00 20.00 H new ATOM 0 HA MET A -7 -47.510 41.370 -6.532 1.00 20.00 H new ATOM 0 HB2 MET A -7 -46.692 43.178 -5.111 1.00 20.00 H new ATOM 0 HB3 MET A -7 -45.034 42.862 -5.583 1.00 20.00 H new ATOM 0 HG2 MET A -7 -45.763 43.396 -7.990 1.00 20.00 H new ATOM 0 HG3 MET A -7 -47.264 43.986 -7.304 1.00 20.00 H new ATOM 0 HE1 MET A -7 -45.253 47.262 -8.269 1.00 20.00 H new ATOM 0 HE2 MET A -7 -45.198 45.699 -9.119 1.00 20.00 H new ATOM 0 HE3 MET A -7 -46.750 46.334 -8.524 1.00 20.00 H new ATOM 20 N ASP A -6 -44.338 41.091 -7.461 1.00 20.00 N ATOM 21 CA ASP A -6 -43.469 40.744 -8.576 1.00 20.00 C ATOM 22 C ASP A -6 -42.666 39.497 -8.234 1.00 20.00 C ATOM 23 O ASP A -6 -42.206 39.345 -7.102 1.00 20.00 O ATOM 24 CB ASP A -6 -42.536 41.916 -8.899 1.00 20.00 C ATOM 25 CG ASP A -6 -41.598 41.628 -10.053 1.00 20.00 C ATOM 26 OD1 ASP A -6 -42.009 41.809 -11.222 1.00 20.00 O ATOM 27 OD2 ASP A -6 -40.442 41.238 -9.797 1.00 20.00 O ATOM 0 H ASP A -6 -43.845 41.420 -6.631 1.00 20.00 H new ATOM 0 HA ASP A -6 -44.078 40.536 -9.456 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -43.135 42.795 -9.136 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -41.949 42.160 -8.014 1.00 20.00 H new ATOM 32 N TYR A -5 -42.510 38.603 -9.197 1.00 20.00 N ATOM 33 CA TYR A -5 -41.845 37.333 -8.948 1.00 20.00 C ATOM 34 C TYR A -5 -40.605 37.185 -9.820 1.00 20.00 C ATOM 35 O TYR A -5 -40.483 37.828 -10.864 1.00 20.00 O ATOM 36 CB TYR A -5 -42.811 36.163 -9.189 1.00 20.00 C ATOM 37 CG TYR A -5 -43.403 36.124 -10.582 1.00 20.00 C ATOM 38 CD1 TYR A -5 -42.753 35.460 -11.616 1.00 20.00 C ATOM 39 CD2 TYR A -5 -44.611 36.747 -10.862 1.00 20.00 C ATOM 40 CE1 TYR A -5 -43.289 35.425 -12.887 1.00 20.00 C ATOM 41 CE2 TYR A -5 -45.155 36.714 -12.131 1.00 20.00 C ATOM 42 CZ TYR A -5 -44.491 36.051 -13.139 1.00 20.00 C ATOM 43 OH TYR A -5 -45.026 36.022 -14.406 1.00 20.00 O ATOM 0 H TYR A -5 -42.833 38.732 -10.156 1.00 20.00 H new ATOM 0 HA TYR A -5 -41.530 37.317 -7.905 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -42.284 35.227 -9.004 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -43.622 36.221 -8.463 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -41.814 34.964 -11.421 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -45.135 37.267 -10.074 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -42.769 34.909 -13.681 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -46.096 37.205 -12.332 1.00 20.00 H new ATOM 0 HH TYR A -5 -45.876 36.509 -14.413 1.00 20.00 H new ATOM 53 N LYS A -4 -39.690 36.335 -9.379 1.00 20.00 N ATOM 54 CA LYS A -4 -38.451 36.079 -10.113 1.00 20.00 C ATOM 55 C LYS A -4 -37.796 34.788 -9.632 1.00 20.00 C ATOM 56 O LYS A -4 -36.978 34.194 -10.332 1.00 20.00 O ATOM 57 CB LYS A -4 -37.472 37.251 -9.953 1.00 20.00 C ATOM 58 CG LYS A -4 -37.110 37.563 -8.505 1.00 20.00 C ATOM 59 CD LYS A -4 -36.055 38.656 -8.410 1.00 20.00 C ATOM 60 CE LYS A -4 -36.534 39.966 -9.019 1.00 20.00 C ATOM 61 NZ LYS A -4 -35.525 41.047 -8.864 1.00 20.00 N ATOM 0 H LYS A -4 -39.779 35.806 -8.512 1.00 20.00 H new ATOM 0 HA LYS A -4 -38.703 35.974 -11.168 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -36.559 37.026 -10.505 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -37.909 38.140 -10.407 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -38.005 37.873 -7.965 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -36.742 36.659 -8.019 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -35.793 38.817 -7.364 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -35.148 38.330 -8.919 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -36.749 39.818 -10.077 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -37.467 40.268 -8.544 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -35.887 41.924 -9.291 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -35.339 41.205 -7.853 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -34.643 40.769 -9.339 1.00 20.00 H new ATOM 75 N ASP A -3 -38.174 34.359 -8.437 1.00 20.00 N ATOM 76 CA ASP A -3 -37.606 33.167 -7.816 1.00 20.00 C ATOM 77 C ASP A -3 -38.506 32.771 -6.658 1.00 20.00 C ATOM 78 O ASP A -3 -38.091 32.719 -5.501 1.00 20.00 O ATOM 79 CB ASP A -3 -36.177 33.453 -7.333 1.00 20.00 C ATOM 80 CG ASP A -3 -35.464 32.223 -6.804 1.00 20.00 C ATOM 81 OD1 ASP A -3 -35.352 31.225 -7.548 1.00 20.00 O ATOM 82 OD2 ASP A -3 -34.983 32.260 -5.655 1.00 20.00 O ATOM 0 H ASP A -3 -38.882 34.825 -7.870 1.00 20.00 H new ATOM 0 HA ASP A -3 -37.550 32.349 -8.534 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -35.600 33.873 -8.157 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -36.211 34.210 -6.549 1.00 20.00 H new ATOM 87 N ASP A -2 -39.757 32.507 -6.990 1.00 20.00 N ATOM 88 CA ASP A -2 -40.815 32.425 -5.994 1.00 20.00 C ATOM 89 C ASP A -2 -41.488 31.064 -6.009 1.00 20.00 C ATOM 90 O ASP A -2 -42.676 30.942 -5.704 1.00 20.00 O ATOM 91 CB ASP A -2 -41.854 33.521 -6.255 1.00 20.00 C ATOM 92 CG ASP A -2 -41.281 34.918 -6.114 1.00 20.00 C ATOM 93 OD1 ASP A -2 -40.432 35.315 -6.944 1.00 20.00 O ATOM 94 OD2 ASP A -2 -41.680 35.632 -5.172 1.00 20.00 O ATOM 0 H ASP A -2 -40.068 32.344 -7.948 1.00 20.00 H new ATOM 0 HA ASP A -2 -40.367 32.567 -5.011 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -42.260 33.399 -7.259 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -42.684 33.402 -5.559 1.00 20.00 H new ATOM 99 N ASP A -1 -40.730 30.046 -6.373 1.00 20.00 N ATOM 100 CA ASP A -1 -41.249 28.689 -6.392 1.00 20.00 C ATOM 101 C ASP A -1 -41.530 28.207 -4.974 1.00 20.00 C ATOM 102 O ASP A -1 -40.613 27.978 -4.192 1.00 20.00 O ATOM 103 CB ASP A -1 -40.266 27.748 -7.080 1.00 20.00 C ATOM 104 CG ASP A -1 -40.801 26.337 -7.190 1.00 20.00 C ATOM 105 OD1 ASP A -1 -41.679 26.098 -8.046 1.00 20.00 O ATOM 106 OD2 ASP A -1 -40.338 25.460 -6.435 1.00 20.00 O ATOM 0 H ASP A -1 -39.755 30.132 -6.659 1.00 20.00 H new ATOM 0 HA ASP A -1 -42.183 28.688 -6.954 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -40.041 28.127 -8.077 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -39.328 27.736 -6.524 1.00 20.00 H new ATOM 111 N ASP A 0 -42.801 28.080 -4.645 1.00 20.00 N ATOM 112 CA ASP A 0 -43.217 27.648 -3.314 1.00 20.00 C ATOM 113 C ASP A 0 -43.372 26.129 -3.267 1.00 20.00 C ATOM 114 O ASP A 0 -43.709 25.548 -2.234 1.00 20.00 O ATOM 115 CB ASP A 0 -44.533 28.343 -2.941 1.00 20.00 C ATOM 116 CG ASP A 0 -44.969 28.072 -1.516 1.00 20.00 C ATOM 117 OD1 ASP A 0 -44.303 28.562 -0.583 1.00 20.00 O ATOM 118 OD2 ASP A 0 -45.995 27.385 -1.322 1.00 20.00 O ATOM 0 H ASP A 0 -43.573 28.270 -5.284 1.00 20.00 H new ATOM 0 HA ASP A 0 -42.451 27.927 -2.590 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -44.421 29.418 -3.081 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -45.317 28.013 -3.623 1.00 20.00 H new ATOM 123 N LYS A 1 -43.095 25.486 -4.394 1.00 20.00 N ATOM 124 CA LYS A 1 -43.358 24.059 -4.546 1.00 20.00 C ATOM 125 C LYS A 1 -42.179 23.205 -4.074 1.00 20.00 C ATOM 126 O LYS A 1 -42.313 21.993 -3.918 1.00 20.00 O ATOM 127 CB LYS A 1 -43.701 23.737 -6.005 1.00 20.00 C ATOM 128 CG LYS A 1 -44.918 24.496 -6.523 1.00 20.00 C ATOM 129 CD LYS A 1 -45.295 24.068 -7.933 1.00 20.00 C ATOM 130 CE LYS A 1 -46.440 24.904 -8.490 1.00 20.00 C ATOM 131 NZ LYS A 1 -47.660 24.829 -7.640 1.00 20.00 N ATOM 0 H LYS A 1 -42.688 25.930 -5.217 1.00 20.00 H new ATOM 0 HA LYS A 1 -44.211 23.813 -3.913 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -42.841 23.972 -6.633 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -43.882 22.666 -6.100 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -45.762 24.328 -5.855 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -44.711 25.566 -6.512 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -44.427 24.160 -8.585 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -45.581 23.016 -7.930 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -46.121 25.943 -8.573 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -46.680 24.563 -9.497 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -48.450 25.300 -8.125 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -47.903 23.832 -7.469 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -47.480 25.302 -6.732 1.00 20.00 H new ATOM 145 N ASN A 2 -41.028 23.828 -3.855 1.00 20.00 N ATOM 146 CA ASN A 2 -39.872 23.105 -3.330 1.00 20.00 C ATOM 147 C ASN A 2 -39.826 23.223 -1.809 1.00 20.00 C ATOM 148 O ASN A 2 -40.674 23.898 -1.219 1.00 20.00 O ATOM 149 CB ASN A 2 -38.560 23.611 -3.952 1.00 20.00 C ATOM 150 CG ASN A 2 -38.237 25.048 -3.588 1.00 20.00 C ATOM 151 OD1 ASN A 2 -37.590 25.318 -2.578 1.00 20.00 O ATOM 152 ND2 ASN A 2 -38.675 25.978 -4.412 1.00 20.00 N ATOM 0 H ASN A 2 -40.868 24.820 -4.030 1.00 20.00 H new ATOM 0 HA ASN A 2 -39.979 22.055 -3.601 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -37.741 22.969 -3.628 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -38.623 23.524 -5.037 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -38.480 26.961 -4.222 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -39.209 25.715 -5.240 1.00 20.00 H new ATOM 159 N ARG A 3 -38.831 22.573 -1.191 1.00 20.00 N ATOM 160 CA ARG A 3 -38.728 22.458 0.274 1.00 20.00 C ATOM 161 C ARG A 3 -39.745 21.451 0.800 1.00 20.00 C ATOM 162 O ARG A 3 -40.867 21.377 0.301 1.00 20.00 O ATOM 163 CB ARG A 3 -38.910 23.809 0.986 1.00 20.00 C ATOM 164 CG ARG A 3 -37.610 24.494 1.385 1.00 20.00 C ATOM 165 CD ARG A 3 -36.693 24.699 0.197 1.00 20.00 C ATOM 166 NE ARG A 3 -35.468 25.400 0.565 1.00 20.00 N ATOM 167 CZ ARG A 3 -34.744 26.118 -0.289 1.00 20.00 C ATOM 168 NH1 ARG A 3 -35.129 26.241 -1.556 1.00 20.00 N ATOM 169 NH2 ARG A 3 -33.637 26.722 0.123 1.00 20.00 N ATOM 0 H ARG A 3 -38.072 22.110 -1.692 1.00 20.00 H new ATOM 0 HA ARG A 3 -37.719 22.109 0.494 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -39.472 24.477 0.333 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -39.514 23.655 1.880 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -37.833 25.458 1.842 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -37.100 23.894 2.138 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -36.440 23.731 -0.237 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -37.218 25.266 -0.572 1.00 20.00 H new ATOM 0 HE ARG A 3 -35.149 25.336 1.532 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -35.983 25.784 -1.876 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -34.571 26.793 -2.207 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -33.341 26.636 1.095 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -33.082 27.272 -0.532 1.00 20.00 H new ATOM 183 N ALA A 4 -39.333 20.667 1.796 1.00 20.00 N ATOM 184 CA ALA A 4 -40.182 19.629 2.380 1.00 20.00 C ATOM 185 C ALA A 4 -40.624 18.626 1.317 1.00 20.00 C ATOM 186 O ALA A 4 -41.713 18.054 1.395 1.00 20.00 O ATOM 187 CB ALA A 4 -41.386 20.248 3.077 1.00 20.00 C ATOM 0 H ALA A 4 -38.407 20.733 2.219 1.00 20.00 H new ATOM 0 HA ALA A 4 -39.597 19.091 3.126 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -42.004 19.459 3.504 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -41.045 20.912 3.871 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -41.972 20.817 2.355 1.00 20.00 H new ATOM 193 N LEU A 5 -39.771 18.418 0.325 1.00 20.00 N ATOM 194 CA LEU A 5 -40.066 17.503 -0.764 1.00 20.00 C ATOM 195 C LEU A 5 -38.980 16.444 -0.858 1.00 20.00 C ATOM 196 O LEU A 5 -38.096 16.505 -1.714 1.00 20.00 O ATOM 197 CB LEU A 5 -40.174 18.262 -2.088 1.00 20.00 C ATOM 198 CG LEU A 5 -40.577 17.411 -3.297 1.00 20.00 C ATOM 199 CD1 LEU A 5 -42.038 16.991 -3.208 1.00 20.00 C ATOM 200 CD2 LEU A 5 -40.317 18.166 -4.587 1.00 20.00 C ATOM 0 H LEU A 5 -38.862 18.875 0.253 1.00 20.00 H new ATOM 0 HA LEU A 5 -41.022 17.019 -0.564 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -40.902 19.065 -1.970 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -39.213 18.732 -2.299 1.00 20.00 H new ATOM 0 HG LEU A 5 -39.967 16.508 -3.294 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -42.297 16.388 -4.079 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -42.194 16.405 -2.302 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -42.671 17.878 -3.180 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -40.609 17.547 -5.436 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -40.899 19.088 -4.593 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -39.256 18.406 -4.661 1.00 20.00 H new ATOM 212 N SER A 6 -39.040 15.486 0.041 1.00 20.00 N ATOM 213 CA SER A 6 -38.083 14.403 0.062 1.00 20.00 C ATOM 214 C SER A 6 -38.706 13.144 -0.533 1.00 20.00 C ATOM 215 O SER A 6 -39.683 12.617 0.005 1.00 20.00 O ATOM 216 CB SER A 6 -37.625 14.142 1.497 1.00 20.00 C ATOM 217 OG SER A 6 -37.186 15.341 2.115 1.00 20.00 O ATOM 0 H SER A 6 -39.749 15.436 0.773 1.00 20.00 H new ATOM 0 HA SER A 6 -37.217 14.680 -0.538 1.00 20.00 H new ATOM 0 HB2 SER A 6 -38.445 13.711 2.072 1.00 20.00 H new ATOM 0 HB3 SER A 6 -36.817 13.411 1.498 1.00 20.00 H new ATOM 0 HG SER A 6 -36.899 15.150 3.033 1.00 20.00 H new ATOM 223 N PRO A 7 -38.182 12.674 -1.679 1.00 20.00 N ATOM 224 CA PRO A 7 -38.630 11.422 -2.289 1.00 20.00 C ATOM 225 C PRO A 7 -38.510 10.268 -1.304 1.00 20.00 C ATOM 226 O PRO A 7 -37.505 10.165 -0.595 1.00 20.00 O ATOM 227 CB PRO A 7 -37.678 11.222 -3.472 1.00 20.00 C ATOM 228 CG PRO A 7 -37.149 12.584 -3.776 1.00 20.00 C ATOM 229 CD PRO A 7 -37.126 13.331 -2.470 1.00 20.00 C ATOM 0 HA PRO A 7 -39.676 11.456 -2.592 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -36.872 10.533 -3.218 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -38.199 10.800 -4.331 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -36.150 12.525 -4.208 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -37.781 13.093 -4.504 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -36.154 13.257 -1.982 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -37.332 14.392 -2.611 1.00 20.00 H new ATOM 237 N MET A 8 -39.532 9.415 -1.271 1.00 20.00 N ATOM 238 CA MET A 8 -39.636 8.349 -0.275 1.00 20.00 C ATOM 239 C MET A 8 -39.911 8.951 1.095 1.00 20.00 C ATOM 240 O MET A 8 -39.018 9.037 1.941 1.00 20.00 O ATOM 241 CB MET A 8 -38.371 7.485 -0.226 1.00 20.00 C ATOM 242 CG MET A 8 -38.101 6.702 -1.496 1.00 20.00 C ATOM 243 SD MET A 8 -36.512 5.853 -1.449 1.00 20.00 S ATOM 244 CE MET A 8 -35.392 7.252 -1.397 1.00 20.00 C ATOM 0 H MET A 8 -40.309 9.442 -1.931 1.00 20.00 H new ATOM 0 HA MET A 8 -40.463 7.701 -0.566 1.00 20.00 H new ATOM 0 HB2 MET A 8 -37.514 8.127 -0.020 1.00 20.00 H new ATOM 0 HB3 MET A 8 -38.454 6.787 0.607 1.00 20.00 H new ATOM 0 HG2 MET A 8 -38.896 5.972 -1.647 1.00 20.00 H new ATOM 0 HG3 MET A 8 -38.124 7.379 -2.350 1.00 20.00 H new ATOM 0 HE1 MET A 8 -34.423 6.958 -1.801 1.00 20.00 H new ATOM 0 HE2 MET A 8 -35.801 8.068 -1.993 1.00 20.00 H new ATOM 0 HE3 MET A 8 -35.270 7.582 -0.365 1.00 20.00 H new ATOM 254 N VAL A 9 -41.146 9.388 1.292 1.00 20.00 N ATOM 255 CA VAL A 9 -41.557 10.010 2.543 1.00 20.00 C ATOM 256 C VAL A 9 -41.359 9.066 3.724 1.00 20.00 C ATOM 257 O VAL A 9 -41.638 7.867 3.632 1.00 20.00 O ATOM 258 CB VAL A 9 -43.030 10.480 2.493 1.00 20.00 C ATOM 259 CG1 VAL A 9 -43.194 11.607 1.487 1.00 20.00 C ATOM 260 CG2 VAL A 9 -43.969 9.326 2.160 1.00 20.00 C ATOM 0 H VAL A 9 -41.887 9.322 0.595 1.00 20.00 H new ATOM 0 HA VAL A 9 -40.921 10.884 2.681 1.00 20.00 H new ATOM 0 HB VAL A 9 -43.296 10.852 3.482 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -44.236 11.926 1.464 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -42.564 12.448 1.776 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -42.900 11.257 0.497 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -44.996 9.689 2.132 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -43.705 8.911 1.187 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -43.878 8.552 2.922 1.00 20.00 H new ATOM 270 N SER A 10 -40.841 9.619 4.820 1.00 20.00 N ATOM 271 CA SER A 10 -40.578 8.859 6.043 1.00 20.00 C ATOM 272 C SER A 10 -39.523 7.781 5.802 1.00 20.00 C ATOM 273 O SER A 10 -39.457 6.783 6.523 1.00 20.00 O ATOM 274 CB SER A 10 -41.872 8.238 6.571 1.00 20.00 C ATOM 275 OG SER A 10 -42.859 9.236 6.765 1.00 20.00 O ATOM 0 H SER A 10 -40.592 10.606 4.886 1.00 20.00 H new ATOM 0 HA SER A 10 -40.189 9.546 6.795 1.00 20.00 H new ATOM 0 HB2 SER A 10 -42.237 7.490 5.867 1.00 20.00 H new ATOM 0 HB3 SER A 10 -41.678 7.723 7.512 1.00 20.00 H new ATOM 0 HG SER A 10 -43.681 8.822 7.101 1.00 20.00 H new ATOM 281 N GLU A 11 -38.704 7.993 4.784 1.00 20.00 N ATOM 282 CA GLU A 11 -37.641 7.064 4.438 1.00 20.00 C ATOM 283 C GLU A 11 -36.409 7.821 3.973 1.00 20.00 C ATOM 284 O GLU A 11 -35.847 7.527 2.919 1.00 20.00 O ATOM 285 CB GLU A 11 -38.092 6.095 3.340 1.00 20.00 C ATOM 286 CG GLU A 11 -39.099 5.056 3.798 1.00 20.00 C ATOM 287 CD GLU A 11 -39.427 4.057 2.709 1.00 20.00 C ATOM 288 OE1 GLU A 11 -38.642 3.107 2.510 1.00 20.00 O ATOM 289 OE2 GLU A 11 -40.467 4.220 2.038 1.00 20.00 O ATOM 0 H GLU A 11 -38.757 8.811 4.177 1.00 20.00 H new ATOM 0 HA GLU A 11 -37.397 6.489 5.331 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -38.527 6.669 2.521 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -37.216 5.584 2.941 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -38.704 4.528 4.666 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -40.014 5.555 4.118 1.00 20.00 H new ATOM 296 N PHE A 12 -36.000 8.803 4.755 1.00 20.00 N ATOM 297 CA PHE A 12 -34.803 9.561 4.440 1.00 20.00 C ATOM 298 C PHE A 12 -33.573 8.766 4.857 1.00 20.00 C ATOM 299 O PHE A 12 -33.555 8.167 5.934 1.00 20.00 O ATOM 300 CB PHE A 12 -34.817 10.926 5.135 1.00 20.00 C ATOM 301 CG PHE A 12 -33.706 11.836 4.684 1.00 20.00 C ATOM 302 CD1 PHE A 12 -33.844 12.607 3.539 1.00 20.00 C ATOM 303 CD2 PHE A 12 -32.521 11.915 5.400 1.00 20.00 C ATOM 304 CE1 PHE A 12 -32.824 13.438 3.120 1.00 20.00 C ATOM 305 CE2 PHE A 12 -31.499 12.744 4.983 1.00 20.00 C ATOM 306 CZ PHE A 12 -31.649 13.506 3.843 1.00 20.00 C ATOM 0 H PHE A 12 -36.476 9.094 5.609 1.00 20.00 H new ATOM 0 HA PHE A 12 -34.773 9.735 3.364 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -35.774 11.412 4.946 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -34.741 10.778 6.212 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -34.760 12.557 2.969 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -32.396 11.321 6.294 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -32.945 14.034 2.228 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -30.581 12.796 5.550 1.00 20.00 H new ATOM 0 HZ PHE A 12 -30.849 14.154 3.516 1.00 20.00 H new ATOM 316 N GLU A 13 -32.561 8.759 3.991 1.00 20.00 N ATOM 317 CA GLU A 13 -31.334 8.008 4.233 1.00 20.00 C ATOM 318 C GLU A 13 -31.646 6.524 4.417 1.00 20.00 C ATOM 319 O GLU A 13 -31.601 5.996 5.531 1.00 20.00 O ATOM 320 CB GLU A 13 -30.607 8.552 5.462 1.00 20.00 C ATOM 321 CG GLU A 13 -29.234 7.944 5.678 1.00 20.00 C ATOM 322 CD GLU A 13 -28.652 8.306 7.023 1.00 20.00 C ATOM 323 OE1 GLU A 13 -28.890 7.559 7.995 1.00 20.00 O ATOM 324 OE2 GLU A 13 -27.957 9.340 7.125 1.00 20.00 O ATOM 0 H GLU A 13 -32.569 9.270 3.108 1.00 20.00 H new ATOM 0 HA GLU A 13 -30.683 8.123 3.366 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -30.505 9.633 5.364 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -31.219 8.369 6.345 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -29.302 6.859 5.594 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -28.561 8.283 4.890 1.00 20.00 H new ATOM 331 N THR A 14 -31.981 5.857 3.325 1.00 20.00 N ATOM 332 CA THR A 14 -32.316 4.445 3.369 1.00 20.00 C ATOM 333 C THR A 14 -31.381 3.637 2.479 1.00 20.00 C ATOM 334 O THR A 14 -31.739 3.232 1.371 1.00 20.00 O ATOM 335 CB THR A 14 -33.782 4.208 2.959 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.115 5.005 1.810 1.00 20.00 O ATOM 337 CG2 THR A 14 -34.718 4.548 4.107 1.00 20.00 C ATOM 0 H THR A 14 -32.028 6.273 2.395 1.00 20.00 H new ATOM 0 HA THR A 14 -32.191 4.108 4.398 1.00 20.00 H new ATOM 0 HB THR A 14 -33.900 3.154 2.708 1.00 20.00 H new ATOM 0 HG1 THR A 14 -34.655 5.773 2.090 1.00 20.00 H new ATOM 0 HG21 THR A 14 -35.749 4.375 3.799 1.00 20.00 H new ATOM 0 HG22 THR A 14 -34.485 3.918 4.965 1.00 20.00 H new ATOM 0 HG23 THR A 14 -34.592 5.596 4.381 1.00 20.00 H new ATOM 345 N ILE A 15 -30.176 3.407 2.979 1.00 20.00 N ATOM 346 CA ILE A 15 -29.157 2.696 2.229 1.00 20.00 C ATOM 347 C ILE A 15 -29.485 1.206 2.161 1.00 20.00 C ATOM 348 O ILE A 15 -29.446 0.500 3.172 1.00 20.00 O ATOM 349 CB ILE A 15 -27.760 2.892 2.854 1.00 20.00 C ATOM 350 CG1 ILE A 15 -27.396 4.381 2.890 1.00 20.00 C ATOM 351 CG2 ILE A 15 -26.716 2.110 2.073 1.00 20.00 C ATOM 352 CD1 ILE A 15 -26.064 4.666 3.548 1.00 20.00 C ATOM 0 H ILE A 15 -29.881 3.706 3.908 1.00 20.00 H new ATOM 0 HA ILE A 15 -29.144 3.109 1.220 1.00 20.00 H new ATOM 0 HB ILE A 15 -27.781 2.515 3.877 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -27.377 4.766 1.870 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -28.177 4.924 3.422 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -25.736 2.258 2.526 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -26.967 1.049 2.091 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -26.695 2.461 1.041 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -25.875 5.739 3.536 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -26.084 4.312 4.579 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -25.272 4.152 3.004 1.00 20.00 H new ATOM 364 N GLU A 16 -29.806 0.737 0.960 1.00 20.00 N ATOM 365 CA GLU A 16 -30.193 -0.651 0.758 1.00 20.00 C ATOM 366 C GLU A 16 -29.024 -1.581 1.039 1.00 20.00 C ATOM 367 O GLU A 16 -29.207 -2.667 1.573 1.00 20.00 O ATOM 368 CB GLU A 16 -30.693 -0.877 -0.668 1.00 20.00 C ATOM 369 CG GLU A 16 -31.942 -0.087 -1.025 1.00 20.00 C ATOM 370 CD GLU A 16 -32.415 -0.371 -2.432 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.710 0.012 -3.388 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.494 -0.975 -2.593 1.00 20.00 O ATOM 0 H GLU A 16 -29.805 1.301 0.110 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.002 -0.873 1.454 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -29.898 -0.613 -1.366 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.897 -1.939 -0.805 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.737 -0.330 -0.320 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.738 0.979 -0.920 1.00 20.00 H new ATOM 379 N GLN A 17 -27.822 -1.132 0.695 1.00 20.00 N ATOM 380 CA GLN A 17 -26.611 -1.927 0.884 1.00 20.00 C ATOM 381 C GLN A 17 -26.456 -2.341 2.347 1.00 20.00 C ATOM 382 O GLN A 17 -26.006 -3.445 2.648 1.00 20.00 O ATOM 383 CB GLN A 17 -25.379 -1.131 0.435 1.00 20.00 C ATOM 384 CG GLN A 17 -24.081 -1.927 0.467 1.00 20.00 C ATOM 385 CD GLN A 17 -23.996 -2.975 -0.633 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.009 -3.512 -1.083 1.00 20.00 O ATOM 387 NE2 GLN A 17 -22.782 -3.278 -1.070 1.00 20.00 N ATOM 0 H GLN A 17 -27.658 -0.214 0.280 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.697 -2.827 0.276 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -25.545 -0.766 -0.579 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.272 -0.255 1.075 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -23.239 -1.241 0.373 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -23.986 -2.417 1.436 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -21.966 -2.812 -0.673 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -22.664 -3.977 -1.803 1.00 20.00 H new ATOM 396 N GLU A 18 -26.860 -1.457 3.250 1.00 20.00 N ATOM 397 CA GLU A 18 -26.730 -1.702 4.682 1.00 20.00 C ATOM 398 C GLU A 18 -27.742 -2.750 5.143 1.00 20.00 C ATOM 399 O GLU A 18 -27.458 -3.567 6.019 1.00 20.00 O ATOM 400 CB GLU A 18 -26.927 -0.390 5.456 1.00 20.00 C ATOM 401 CG GLU A 18 -26.646 -0.496 6.946 1.00 20.00 C ATOM 402 CD GLU A 18 -25.228 -0.935 7.242 1.00 20.00 C ATOM 403 OE1 GLU A 18 -24.296 -0.465 6.553 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.036 -1.761 8.158 1.00 20.00 O ATOM 0 H GLU A 18 -27.283 -0.559 3.015 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.729 -2.085 4.882 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.276 0.372 5.028 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.952 -0.049 5.315 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.829 0.470 7.416 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.343 -1.205 7.394 1.00 20.00 H new ATOM 411 N ASN A 19 -28.916 -2.732 4.526 1.00 20.00 N ATOM 412 CA ASN A 19 -29.997 -3.641 4.908 1.00 20.00 C ATOM 413 C ASN A 19 -29.893 -4.962 4.156 1.00 20.00 C ATOM 414 O ASN A 19 -30.368 -5.992 4.625 1.00 20.00 O ATOM 415 CB ASN A 19 -31.369 -3.003 4.644 1.00 20.00 C ATOM 416 CG ASN A 19 -31.745 -1.928 5.652 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.924 -1.716 5.931 1.00 20.00 O ATOM 418 ND2 ASN A 19 -30.757 -1.236 6.197 1.00 20.00 N ATOM 0 H ASN A 19 -29.147 -2.100 3.759 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.898 -3.836 5.976 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.372 -2.569 3.644 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -32.131 -3.782 4.655 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -30.962 -0.499 6.872 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -29.791 -1.439 5.942 1.00 20.00 H new ATOM 425 N SER A 20 -29.272 -4.927 2.986 1.00 20.00 N ATOM 426 CA SER A 20 -29.120 -6.117 2.160 1.00 20.00 C ATOM 427 C SER A 20 -27.828 -6.859 2.491 1.00 20.00 C ATOM 428 O SER A 20 -27.624 -7.990 2.045 1.00 20.00 O ATOM 429 CB SER A 20 -29.143 -5.738 0.679 1.00 20.00 C ATOM 430 OG SER A 20 -30.333 -5.037 0.352 1.00 20.00 O ATOM 0 H SER A 20 -28.863 -4.083 2.585 1.00 20.00 H new ATOM 0 HA SER A 20 -29.956 -6.783 2.372 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.276 -5.120 0.445 1.00 20.00 H new ATOM 0 HB3 SER A 20 -29.067 -6.638 0.068 1.00 20.00 H new ATOM 0 HG SER A 20 -30.257 -4.106 0.650 1.00 20.00 H new ATOM 436 N TYR A 21 -26.957 -6.216 3.263 1.00 20.00 N ATOM 437 CA TYR A 21 -25.676 -6.810 3.639 1.00 20.00 C ATOM 438 C TYR A 21 -25.880 -8.143 4.352 1.00 20.00 C ATOM 439 O TYR A 21 -25.092 -9.073 4.183 1.00 20.00 O ATOM 440 CB TYR A 21 -24.875 -5.855 4.532 1.00 20.00 C ATOM 441 CG TYR A 21 -23.475 -6.348 4.848 1.00 20.00 C ATOM 442 CD1 TYR A 21 -22.419 -6.100 3.977 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.207 -7.061 6.014 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.141 -6.550 4.256 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.932 -7.512 6.298 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.904 -7.254 5.416 1.00 20.00 C ATOM 447 OH TYR A 21 -19.633 -7.704 5.699 1.00 20.00 O ATOM 0 H TYR A 21 -27.114 -5.282 3.641 1.00 20.00 H new ATOM 0 HA TYR A 21 -25.112 -6.990 2.724 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.807 -4.884 4.042 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -25.417 -5.704 5.465 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -22.600 -5.547 3.067 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.009 -7.265 6.708 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.333 -6.350 3.568 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.742 -8.064 7.207 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.638 -8.181 6.555 1.00 20.00 H new ATOM 457 N ASN A 22 -26.950 -8.239 5.135 1.00 20.00 N ATOM 458 CA ASN A 22 -27.261 -9.468 5.859 1.00 20.00 C ATOM 459 C ASN A 22 -27.535 -10.623 4.898 1.00 20.00 C ATOM 460 O ASN A 22 -27.294 -11.784 5.229 1.00 20.00 O ATOM 461 CB ASN A 22 -28.448 -9.268 6.819 1.00 20.00 C ATOM 462 CG ASN A 22 -29.678 -8.649 6.172 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.957 -8.849 4.990 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.425 -7.886 6.953 1.00 20.00 N ATOM 0 H ASN A 22 -27.616 -7.481 5.285 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.385 -9.724 6.455 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.723 -10.233 7.245 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.129 -8.634 7.646 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -31.263 -7.441 6.580 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.162 -7.743 7.928 1.00 20.00 H new ATOM 471 N GLU A 23 -28.014 -10.296 3.705 1.00 20.00 N ATOM 472 CA GLU A 23 -28.269 -11.294 2.677 1.00 20.00 C ATOM 473 C GLU A 23 -26.948 -11.761 2.074 1.00 20.00 C ATOM 474 O GLU A 23 -26.748 -12.949 1.822 1.00 20.00 O ATOM 475 CB GLU A 23 -29.177 -10.716 1.586 1.00 20.00 C ATOM 476 CG GLU A 23 -29.722 -11.760 0.629 1.00 20.00 C ATOM 477 CD GLU A 23 -30.667 -12.726 1.312 1.00 20.00 C ATOM 478 OE1 GLU A 23 -30.196 -13.735 1.870 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.894 -12.477 1.297 1.00 20.00 O ATOM 0 H GLU A 23 -28.235 -9.340 3.425 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.775 -12.147 3.129 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -30.012 -10.197 2.058 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.619 -9.972 1.018 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -30.243 -11.263 -0.190 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.893 -12.315 0.189 1.00 20.00 H new ATOM 486 N TRP A 24 -26.039 -10.813 1.869 1.00 20.00 N ATOM 487 CA TRP A 24 -24.703 -11.126 1.370 1.00 20.00 C ATOM 488 C TRP A 24 -23.923 -11.916 2.412 1.00 20.00 C ATOM 489 O TRP A 24 -23.023 -12.687 2.082 1.00 20.00 O ATOM 490 CB TRP A 24 -23.944 -9.848 1.004 1.00 20.00 C ATOM 491 CG TRP A 24 -24.512 -9.134 -0.185 1.00 20.00 C ATOM 492 CD1 TRP A 24 -25.255 -7.989 -0.180 1.00 20.00 C ATOM 493 CD2 TRP A 24 -24.380 -9.522 -1.558 1.00 20.00 C ATOM 494 NE1 TRP A 24 -25.593 -7.641 -1.465 1.00 20.00 N ATOM 495 CE2 TRP A 24 -25.066 -8.566 -2.329 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.746 -10.585 -2.211 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -25.135 -8.639 -3.717 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.816 -10.656 -3.590 1.00 20.00 C ATOM 499 CH2 TRP A 24 -24.506 -9.688 -4.330 1.00 20.00 C ATOM 0 H TRP A 24 -26.203 -9.821 2.041 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.809 -11.732 0.470 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.951 -9.173 1.860 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.902 -10.099 0.804 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -25.536 -7.437 0.705 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -26.146 -6.827 -1.733 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.212 -11.336 -1.648 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -25.666 -7.894 -4.290 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.330 -11.472 -4.105 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -24.542 -9.771 -5.406 1.00 20.00 H new ATOM 510 N LEU A 25 -24.280 -11.718 3.672 1.00 20.00 N ATOM 511 CA LEU A 25 -23.667 -12.448 4.770 1.00 20.00 C ATOM 512 C LEU A 25 -24.125 -13.903 4.737 1.00 20.00 C ATOM 513 O LEU A 25 -23.342 -14.815 4.988 1.00 20.00 O ATOM 514 CB LEU A 25 -24.029 -11.774 6.108 1.00 20.00 C ATOM 515 CG LEU A 25 -23.255 -12.240 7.355 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.763 -13.583 7.858 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.764 -12.315 7.063 1.00 20.00 C ATOM 0 H LEU A 25 -24.997 -11.052 3.960 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.582 -12.432 4.666 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.880 -10.700 5.998 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.092 -11.931 6.290 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.423 -11.503 8.141 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -23.194 -13.881 8.739 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.818 -13.498 8.119 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.642 -14.334 7.077 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.234 -12.646 7.956 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.587 -13.023 6.253 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.401 -11.330 6.770 1.00 20.00 H new ATOM 529 N ARG A 26 -25.389 -14.116 4.389 1.00 20.00 N ATOM 530 CA ARG A 26 -25.949 -15.464 4.307 1.00 20.00 C ATOM 531 C ARG A 26 -25.287 -16.255 3.184 1.00 20.00 C ATOM 532 O ARG A 26 -25.328 -17.487 3.164 1.00 20.00 O ATOM 533 CB ARG A 26 -27.459 -15.406 4.074 1.00 20.00 C ATOM 534 CG ARG A 26 -28.224 -14.701 5.181 1.00 20.00 C ATOM 535 CD ARG A 26 -29.709 -14.610 4.868 1.00 20.00 C ATOM 536 NE ARG A 26 -30.378 -15.908 4.957 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.366 -16.292 4.149 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.704 -15.553 3.099 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.993 -17.438 4.369 1.00 20.00 N ATOM 0 H ARG A 26 -26.048 -13.372 4.158 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.755 -15.966 5.255 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.652 -14.896 3.130 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.841 -16.422 3.972 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.082 -15.237 6.120 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -27.820 -13.699 5.322 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.181 -13.913 5.560 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.842 -14.204 3.865 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.070 -16.558 5.680 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.206 -14.684 2.906 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.461 -15.854 2.486 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.720 -18.026 5.156 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.749 -17.732 3.751 1.00 20.00 H new ATOM 553 N ALA A 27 -24.659 -15.533 2.263 1.00 20.00 N ATOM 554 CA ALA A 27 -23.985 -16.143 1.127 1.00 20.00 C ATOM 555 C ALA A 27 -22.732 -16.895 1.560 1.00 20.00 C ATOM 556 O ALA A 27 -22.180 -17.681 0.793 1.00 20.00 O ATOM 557 CB ALA A 27 -23.631 -15.088 0.094 1.00 20.00 C ATOM 0 H ALA A 27 -24.604 -14.515 2.284 1.00 20.00 H new ATOM 0 HA ALA A 27 -24.671 -16.863 0.681 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.127 -15.560 -0.750 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.541 -14.599 -0.254 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -22.970 -14.347 0.543 1.00 20.00 H new ATOM 563 N LYS A 28 -22.284 -16.652 2.789 1.00 20.00 N ATOM 564 CA LYS A 28 -21.117 -17.353 3.318 1.00 20.00 C ATOM 565 C LYS A 28 -21.496 -18.778 3.718 1.00 20.00 C ATOM 566 O LYS A 28 -20.636 -19.649 3.854 1.00 20.00 O ATOM 567 CB LYS A 28 -20.509 -16.610 4.520 1.00 20.00 C ATOM 568 CG LYS A 28 -21.255 -16.827 5.830 1.00 20.00 C ATOM 569 CD LYS A 28 -20.545 -16.156 6.997 1.00 20.00 C ATOM 570 CE LYS A 28 -21.250 -16.440 8.315 1.00 20.00 C ATOM 571 NZ LYS A 28 -20.516 -15.879 9.480 1.00 20.00 N ATOM 0 H LYS A 28 -22.706 -15.982 3.432 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.364 -17.388 2.531 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -19.475 -16.931 4.646 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.487 -15.543 4.300 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -22.267 -16.431 5.743 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.346 -17.896 6.025 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.515 -16.510 7.050 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.504 -15.080 6.829 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -22.255 -16.019 8.285 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -21.359 -17.517 8.441 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -21.034 -16.098 10.355 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -19.566 -16.299 9.526 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -20.434 -14.848 9.375 1.00 20.00 H new ATOM 585 N VAL A 29 -22.792 -19.004 3.905 1.00 20.00 N ATOM 586 CA VAL A 29 -23.304 -20.321 4.256 1.00 20.00 C ATOM 587 C VAL A 29 -23.447 -21.168 2.999 1.00 20.00 C ATOM 588 O VAL A 29 -23.166 -22.367 2.997 1.00 20.00 O ATOM 589 CB VAL A 29 -24.669 -20.219 4.971 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.205 -21.596 5.334 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.555 -19.341 6.209 1.00 20.00 C ATOM 0 H VAL A 29 -23.511 -18.285 3.818 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.596 -20.790 4.939 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.378 -19.758 4.283 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.167 -21.491 5.836 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.331 -22.188 4.427 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.501 -22.097 5.999 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.525 -19.279 6.702 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.826 -19.773 6.895 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.232 -18.342 5.918 1.00 20.00 H new ATOM 601 N ALA A 30 -23.866 -20.519 1.926 1.00 20.00 N ATOM 602 CA ALA A 30 -23.981 -21.162 0.631 1.00 20.00 C ATOM 603 C ALA A 30 -22.621 -21.156 -0.059 1.00 20.00 C ATOM 604 O ALA A 30 -21.705 -20.468 0.388 1.00 20.00 O ATOM 605 CB ALA A 30 -25.019 -20.432 -0.210 1.00 20.00 C ATOM 0 H ALA A 30 -24.135 -19.535 1.929 1.00 20.00 H new ATOM 0 HA ALA A 30 -24.304 -22.196 0.756 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -25.105 -20.916 -1.183 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.984 -20.462 0.296 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -24.713 -19.395 -0.346 1.00 20.00 H new ATOM 611 N THR A 31 -22.478 -21.916 -1.135 1.00 20.00 N ATOM 612 CA THR A 31 -21.220 -21.947 -1.869 1.00 20.00 C ATOM 613 C THR A 31 -21.109 -20.731 -2.798 1.00 20.00 C ATOM 614 O THR A 31 -20.900 -20.845 -4.008 1.00 20.00 O ATOM 615 CB THR A 31 -21.044 -23.276 -2.649 1.00 20.00 C ATOM 616 OG1 THR A 31 -19.815 -23.276 -3.389 1.00 20.00 O ATOM 617 CG2 THR A 31 -22.207 -23.527 -3.590 1.00 20.00 C ATOM 0 H THR A 31 -23.210 -22.515 -1.517 1.00 20.00 H new ATOM 0 HA THR A 31 -20.408 -21.895 -1.144 1.00 20.00 H new ATOM 0 HB THR A 31 -21.017 -24.080 -1.913 1.00 20.00 H new ATOM 0 HG1 THR A 31 -19.753 -22.455 -3.920 1.00 20.00 H new ATOM 0 HG21 THR A 31 -22.050 -24.467 -4.120 1.00 20.00 H new ATOM 0 HG22 THR A 31 -23.133 -23.584 -3.017 1.00 20.00 H new ATOM 0 HG23 THR A 31 -22.275 -22.711 -4.310 1.00 20.00 H new ATOM 625 N SER A 32 -21.253 -19.556 -2.207 1.00 20.00 N ATOM 626 CA SER A 32 -21.146 -18.304 -2.934 1.00 20.00 C ATOM 627 C SER A 32 -20.043 -17.453 -2.314 1.00 20.00 C ATOM 628 O SER A 32 -20.263 -16.311 -1.906 1.00 20.00 O ATOM 629 CB SER A 32 -22.483 -17.562 -2.901 1.00 20.00 C ATOM 630 OG SER A 32 -23.544 -18.407 -3.323 1.00 20.00 O ATOM 0 H SER A 32 -21.447 -19.444 -1.212 1.00 20.00 H new ATOM 0 HA SER A 32 -20.894 -18.507 -3.975 1.00 20.00 H new ATOM 0 HB2 SER A 32 -22.679 -17.203 -1.891 1.00 20.00 H new ATOM 0 HB3 SER A 32 -22.433 -16.685 -3.547 1.00 20.00 H new ATOM 0 HG SER A 32 -24.389 -17.911 -3.292 1.00 20.00 H new ATOM 636 N LEU A 33 -18.857 -18.034 -2.228 1.00 20.00 N ATOM 637 CA LEU A 33 -17.724 -17.367 -1.612 1.00 20.00 C ATOM 638 C LEU A 33 -16.878 -16.681 -2.675 1.00 20.00 C ATOM 639 O LEU A 33 -16.515 -17.295 -3.681 1.00 20.00 O ATOM 640 CB LEU A 33 -16.847 -18.360 -0.829 1.00 20.00 C ATOM 641 CG LEU A 33 -17.509 -19.105 0.344 1.00 20.00 C ATOM 642 CD1 LEU A 33 -18.308 -18.156 1.222 1.00 20.00 C ATOM 643 CD2 LEU A 33 -18.382 -20.250 -0.152 1.00 20.00 C ATOM 0 H LEU A 33 -18.655 -18.970 -2.579 1.00 20.00 H new ATOM 0 HA LEU A 33 -18.116 -16.625 -0.916 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -16.468 -19.103 -1.531 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -15.985 -17.818 -0.442 1.00 20.00 H new ATOM 0 HG LEU A 33 -16.711 -19.530 0.953 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -18.763 -18.714 2.041 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -17.646 -17.391 1.628 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -19.089 -17.682 0.628 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -18.836 -20.757 0.700 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -19.165 -19.856 -0.799 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -17.770 -20.958 -0.712 1.00 20.00 H new ATOM 655 N ALA A 34 -16.569 -15.414 -2.453 1.00 20.00 N ATOM 656 CA ALA A 34 -15.711 -14.672 -3.360 1.00 20.00 C ATOM 657 C ALA A 34 -14.252 -14.965 -3.046 1.00 20.00 C ATOM 658 O ALA A 34 -13.647 -14.309 -2.195 1.00 20.00 O ATOM 659 CB ALA A 34 -15.995 -13.182 -3.260 1.00 20.00 C ATOM 0 H ALA A 34 -16.900 -14.878 -1.651 1.00 20.00 H new ATOM 0 HA ALA A 34 -15.918 -14.987 -4.383 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -15.344 -12.641 -3.946 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -17.036 -12.992 -3.522 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -15.809 -12.844 -2.241 1.00 20.00 H new ATOM 665 N ASP A 35 -13.702 -15.972 -3.716 1.00 20.00 N ATOM 666 CA ASP A 35 -12.320 -16.390 -3.494 1.00 20.00 C ATOM 667 C ASP A 35 -11.359 -15.245 -3.792 1.00 20.00 C ATOM 668 O ASP A 35 -11.652 -14.394 -4.633 1.00 20.00 O ATOM 669 CB ASP A 35 -11.973 -17.601 -4.369 1.00 20.00 C ATOM 670 CG ASP A 35 -12.734 -18.850 -3.971 1.00 20.00 C ATOM 671 OD1 ASP A 35 -12.344 -19.493 -2.974 1.00 20.00 O ATOM 672 OD2 ASP A 35 -13.719 -19.200 -4.657 1.00 20.00 O ATOM 0 H ASP A 35 -14.195 -16.518 -4.422 1.00 20.00 H new ATOM 0 HA ASP A 35 -12.218 -16.673 -2.446 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -12.190 -17.365 -5.411 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -10.903 -17.797 -4.303 1.00 20.00 H new ATOM 677 N PRO A 36 -10.208 -15.197 -3.093 1.00 20.00 N ATOM 678 CA PRO A 36 -9.217 -14.129 -3.260 1.00 20.00 C ATOM 679 C PRO A 36 -8.540 -14.177 -4.624 1.00 20.00 C ATOM 680 O PRO A 36 -7.409 -14.650 -4.759 1.00 20.00 O ATOM 681 CB PRO A 36 -8.191 -14.390 -2.147 1.00 20.00 C ATOM 682 CG PRO A 36 -8.842 -15.364 -1.227 1.00 20.00 C ATOM 683 CD PRO A 36 -9.780 -16.170 -2.077 1.00 20.00 C ATOM 0 HA PRO A 36 -9.680 -13.144 -3.200 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -7.264 -14.794 -2.554 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -7.935 -13.468 -1.625 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -8.101 -16.004 -0.748 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -9.381 -14.850 -0.431 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -9.283 -17.031 -2.524 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -10.623 -16.552 -1.501 1.00 20.00 H new ATOM 691 N ARG A 37 -9.246 -13.695 -5.626 1.00 20.00 N ATOM 692 CA ARG A 37 -8.719 -13.624 -6.973 1.00 20.00 C ATOM 693 C ARG A 37 -8.699 -12.173 -7.428 1.00 20.00 C ATOM 694 O ARG A 37 -9.717 -11.480 -7.346 1.00 20.00 O ATOM 695 CB ARG A 37 -9.571 -14.465 -7.926 1.00 20.00 C ATOM 696 CG ARG A 37 -8.936 -14.674 -9.293 1.00 20.00 C ATOM 697 CD ARG A 37 -9.872 -15.414 -10.232 1.00 20.00 C ATOM 698 NE ARG A 37 -11.036 -14.605 -10.589 1.00 20.00 N ATOM 699 CZ ARG A 37 -12.269 -15.086 -10.737 1.00 20.00 C ATOM 700 NH1 ARG A 37 -12.514 -16.375 -10.557 1.00 20.00 N ATOM 701 NH2 ARG A 37 -13.257 -14.268 -11.068 1.00 20.00 N ATOM 0 H ARG A 37 -10.198 -13.342 -5.530 1.00 20.00 H new ATOM 0 HA ARG A 37 -7.704 -14.022 -6.982 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -9.758 -15.437 -7.470 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -10.540 -13.982 -8.055 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -8.673 -13.708 -9.725 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -8.009 -15.237 -9.183 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -9.332 -15.693 -11.137 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -10.203 -16.339 -9.760 1.00 20.00 H new ATOM 0 HE ARG A 37 -10.894 -13.605 -10.734 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -11.755 -17.008 -10.303 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -13.461 -16.735 -10.672 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -13.072 -13.275 -11.208 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -14.203 -14.631 -11.183 1.00 20.00 H new ATOM 715 N PRO A 38 -7.546 -11.689 -7.905 1.00 20.00 N ATOM 716 CA PRO A 38 -7.388 -10.299 -8.340 1.00 20.00 C ATOM 717 C PRO A 38 -7.987 -10.049 -9.721 1.00 20.00 C ATOM 718 O PRO A 38 -7.355 -9.449 -10.594 1.00 20.00 O ATOM 719 CB PRO A 38 -5.872 -10.123 -8.371 1.00 20.00 C ATOM 720 CG PRO A 38 -5.352 -11.480 -8.699 1.00 20.00 C ATOM 721 CD PRO A 38 -6.295 -12.459 -8.053 1.00 20.00 C ATOM 0 HA PRO A 38 -7.903 -9.599 -7.683 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -5.572 -9.390 -9.120 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -5.492 -9.772 -7.411 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -5.313 -11.631 -9.778 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -4.338 -11.610 -8.322 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -6.440 -13.344 -8.672 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -5.919 -12.802 -7.089 1.00 20.00 H new ATOM 729 N ALA A 39 -9.211 -10.515 -9.902 1.00 20.00 N ATOM 730 CA ALA A 39 -9.914 -10.386 -11.166 1.00 20.00 C ATOM 731 C ALA A 39 -11.389 -10.702 -10.985 1.00 20.00 C ATOM 732 O ALA A 39 -11.796 -11.864 -11.032 1.00 20.00 O ATOM 733 CB ALA A 39 -9.303 -11.305 -12.211 1.00 20.00 C ATOM 0 H ALA A 39 -9.745 -10.993 -9.176 1.00 20.00 H new ATOM 0 HA ALA A 39 -9.817 -9.357 -11.511 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -9.842 -11.195 -13.152 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -8.256 -11.041 -12.360 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -9.372 -12.339 -11.872 1.00 20.00 H new ATOM 739 N ILE A 40 -12.176 -9.670 -10.752 1.00 20.00 N ATOM 740 CA ILE A 40 -13.609 -9.824 -10.597 1.00 20.00 C ATOM 741 C ILE A 40 -14.308 -9.424 -11.890 1.00 20.00 C ATOM 742 O ILE A 40 -14.235 -8.266 -12.304 1.00 20.00 O ATOM 743 CB ILE A 40 -14.144 -8.970 -9.429 1.00 20.00 C ATOM 744 CG1 ILE A 40 -13.372 -9.292 -8.145 1.00 20.00 C ATOM 745 CG2 ILE A 40 -15.635 -9.214 -9.231 1.00 20.00 C ATOM 746 CD1 ILE A 40 -13.787 -8.456 -6.957 1.00 20.00 C ATOM 0 H ILE A 40 -11.844 -8.709 -10.665 1.00 20.00 H new ATOM 0 HA ILE A 40 -13.816 -10.870 -10.372 1.00 20.00 H new ATOM 0 HB ILE A 40 -13.998 -7.917 -9.669 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -13.512 -10.345 -7.903 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -12.307 -9.145 -8.326 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -15.997 -8.604 -8.403 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -16.172 -8.946 -10.141 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -15.805 -10.267 -9.007 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -13.196 -8.742 -6.087 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -13.621 -7.402 -7.178 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -14.844 -8.620 -6.748 1.00 20.00 H new ATOM 758 N PRO A 41 -14.985 -10.378 -12.546 1.00 20.00 N ATOM 759 CA PRO A 41 -15.622 -10.134 -13.839 1.00 20.00 C ATOM 760 C PRO A 41 -16.731 -9.093 -13.737 1.00 20.00 C ATOM 761 O PRO A 41 -17.710 -9.282 -13.012 1.00 20.00 O ATOM 762 CB PRO A 41 -16.201 -11.500 -14.233 1.00 20.00 C ATOM 763 CG PRO A 41 -16.292 -12.274 -12.963 1.00 20.00 C ATOM 764 CD PRO A 41 -15.199 -11.755 -12.070 1.00 20.00 C ATOM 0 HA PRO A 41 -14.917 -9.740 -14.571 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -17.181 -11.392 -14.698 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -15.560 -12.005 -14.955 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -17.269 -12.143 -12.497 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -16.168 -13.341 -13.149 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -15.495 -11.775 -11.021 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -14.293 -12.354 -12.157 1.00 20.00 H new ATOM 772 N HIS A 42 -16.581 -7.996 -14.470 1.00 20.00 N ATOM 773 CA HIS A 42 -17.564 -6.925 -14.426 1.00 20.00 C ATOM 774 C HIS A 42 -18.887 -7.404 -15.002 1.00 20.00 C ATOM 775 O HIS A 42 -19.945 -6.927 -14.608 1.00 20.00 O ATOM 776 CB HIS A 42 -17.070 -5.657 -15.157 1.00 20.00 C ATOM 777 CG HIS A 42 -16.842 -5.808 -16.639 1.00 20.00 C ATOM 778 ND1 HIS A 42 -15.587 -5.891 -17.205 1.00 20.00 N ATOM 779 CD2 HIS A 42 -17.718 -5.846 -17.674 1.00 20.00 C ATOM 780 CE1 HIS A 42 -15.703 -5.971 -18.518 1.00 20.00 C ATOM 781 NE2 HIS A 42 -16.983 -5.948 -18.827 1.00 20.00 N ATOM 0 H HIS A 42 -15.794 -7.827 -15.097 1.00 20.00 H new ATOM 0 HA HIS A 42 -17.713 -6.652 -13.381 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -17.798 -4.861 -14.999 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -16.137 -5.333 -14.695 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -18.795 -5.804 -17.603 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -14.886 -6.043 -19.220 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -17.366 -5.998 -19.771 1.00 20.00 H new ATOM 790 N ASP A 43 -18.814 -8.381 -15.907 1.00 20.00 N ATOM 791 CA ASP A 43 -20.010 -8.941 -16.542 1.00 20.00 C ATOM 792 C ASP A 43 -20.936 -9.558 -15.503 1.00 20.00 C ATOM 793 O ASP A 43 -22.150 -9.625 -15.694 1.00 20.00 O ATOM 794 CB ASP A 43 -19.640 -9.998 -17.588 1.00 20.00 C ATOM 795 CG ASP A 43 -18.873 -9.424 -18.760 1.00 20.00 C ATOM 796 OD1 ASP A 43 -19.505 -8.839 -19.663 1.00 20.00 O ATOM 797 OD2 ASP A 43 -17.633 -9.555 -18.783 1.00 20.00 O ATOM 0 H ASP A 43 -17.938 -8.802 -16.218 1.00 20.00 H new ATOM 0 HA ASP A 43 -20.527 -8.121 -17.040 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -19.041 -10.776 -17.115 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -20.550 -10.474 -17.954 1.00 20.00 H new ATOM 802 N GLU A 44 -20.351 -9.994 -14.399 1.00 20.00 N ATOM 803 CA GLU A 44 -21.101 -10.608 -13.318 1.00 20.00 C ATOM 804 C GLU A 44 -22.000 -9.570 -12.645 1.00 20.00 C ATOM 805 O GLU A 44 -23.124 -9.867 -12.232 1.00 20.00 O ATOM 806 CB GLU A 44 -20.122 -11.202 -12.301 1.00 20.00 C ATOM 807 CG GLU A 44 -20.770 -12.102 -11.269 1.00 20.00 C ATOM 808 CD GLU A 44 -21.373 -13.340 -11.890 1.00 20.00 C ATOM 809 OE1 GLU A 44 -20.611 -14.262 -12.253 1.00 20.00 O ATOM 810 OE2 GLU A 44 -22.614 -13.399 -12.015 1.00 20.00 O ATOM 0 H GLU A 44 -19.347 -9.932 -14.228 1.00 20.00 H new ATOM 0 HA GLU A 44 -21.732 -11.402 -13.718 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -19.360 -11.770 -12.835 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -19.611 -10.388 -11.787 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -20.027 -12.395 -10.527 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -21.546 -11.547 -10.742 1.00 20.00 H new ATOM 817 N VAL A 45 -21.491 -8.349 -12.556 1.00 20.00 N ATOM 818 CA VAL A 45 -22.183 -7.267 -11.872 1.00 20.00 C ATOM 819 C VAL A 45 -23.071 -6.473 -12.837 1.00 20.00 C ATOM 820 O VAL A 45 -24.084 -5.895 -12.431 1.00 20.00 O ATOM 821 CB VAL A 45 -21.173 -6.317 -11.199 1.00 20.00 C ATOM 822 CG1 VAL A 45 -21.877 -5.337 -10.278 1.00 20.00 C ATOM 823 CG2 VAL A 45 -20.119 -7.108 -10.439 1.00 20.00 C ATOM 0 H VAL A 45 -20.591 -8.082 -12.954 1.00 20.00 H new ATOM 0 HA VAL A 45 -22.818 -7.717 -11.109 1.00 20.00 H new ATOM 0 HB VAL A 45 -20.675 -5.744 -11.981 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -21.141 -4.679 -9.816 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -22.586 -4.742 -10.854 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -22.410 -5.886 -9.502 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -19.415 -6.420 -9.971 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -20.601 -7.712 -9.671 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -19.584 -7.759 -11.130 1.00 20.00 H new ATOM 833 N GLU A 46 -22.683 -6.461 -14.117 1.00 20.00 N ATOM 834 CA GLU A 46 -23.406 -5.712 -15.156 1.00 20.00 C ATOM 835 C GLU A 46 -24.900 -6.010 -15.146 1.00 20.00 C ATOM 836 O GLU A 46 -25.711 -5.129 -15.417 1.00 20.00 O ATOM 837 CB GLU A 46 -22.863 -6.033 -16.553 1.00 20.00 C ATOM 838 CG GLU A 46 -21.424 -5.606 -16.783 1.00 20.00 C ATOM 839 CD GLU A 46 -21.232 -4.107 -16.688 1.00 20.00 C ATOM 840 OE1 GLU A 46 -21.605 -3.398 -17.645 1.00 20.00 O ATOM 841 OE2 GLU A 46 -20.689 -3.632 -15.670 1.00 20.00 O ATOM 0 H GLU A 46 -21.866 -6.965 -14.462 1.00 20.00 H new ATOM 0 HA GLU A 46 -23.251 -4.658 -14.927 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -22.941 -7.107 -16.721 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -23.496 -5.547 -17.295 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -20.783 -6.096 -16.050 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -21.102 -5.947 -17.767 1.00 20.00 H new ATOM 848 N ARG A 47 -25.255 -7.250 -14.826 1.00 20.00 N ATOM 849 CA ARG A 47 -26.652 -7.680 -14.844 1.00 20.00 C ATOM 850 C ARG A 47 -27.512 -6.803 -13.930 1.00 20.00 C ATOM 851 O ARG A 47 -28.694 -6.585 -14.194 1.00 20.00 O ATOM 852 CB ARG A 47 -26.767 -9.153 -14.425 1.00 20.00 C ATOM 853 CG ARG A 47 -26.602 -9.388 -12.929 1.00 20.00 C ATOM 854 CD ARG A 47 -26.803 -10.850 -12.561 1.00 20.00 C ATOM 855 NE ARG A 47 -25.629 -11.666 -12.865 1.00 20.00 N ATOM 856 CZ ARG A 47 -25.609 -12.652 -13.760 1.00 20.00 C ATOM 857 NH1 ARG A 47 -26.667 -12.887 -14.527 1.00 20.00 N ATOM 858 NH2 ARG A 47 -24.521 -13.401 -13.894 1.00 20.00 N ATOM 0 H ARG A 47 -24.595 -7.977 -14.550 1.00 20.00 H new ATOM 0 HA ARG A 47 -27.021 -7.573 -15.864 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -27.740 -9.534 -14.737 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -26.013 -9.731 -14.958 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -25.607 -9.069 -12.619 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -27.319 -8.774 -12.383 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -27.030 -10.927 -11.498 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -27.665 -11.243 -13.100 1.00 20.00 H new ATOM 0 HE ARG A 47 -24.767 -11.467 -12.357 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -27.503 -12.310 -14.433 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -26.644 -13.644 -15.210 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -23.703 -13.221 -13.312 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -24.503 -14.157 -14.579 1.00 20.00 H new ATOM 872 N ARG A 48 -26.908 -6.295 -12.864 1.00 20.00 N ATOM 873 CA ARG A 48 -27.612 -5.438 -11.922 1.00 20.00 C ATOM 874 C ARG A 48 -27.462 -3.977 -12.327 1.00 20.00 C ATOM 875 O ARG A 48 -28.410 -3.196 -12.256 1.00 20.00 O ATOM 876 CB ARG A 48 -27.079 -5.647 -10.502 1.00 20.00 C ATOM 877 CG ARG A 48 -27.209 -7.079 -10.004 1.00 20.00 C ATOM 878 CD ARG A 48 -26.747 -7.212 -8.562 1.00 20.00 C ATOM 879 NE ARG A 48 -26.826 -8.593 -8.088 1.00 20.00 N ATOM 880 CZ ARG A 48 -27.248 -8.943 -6.875 1.00 20.00 C ATOM 881 NH1 ARG A 48 -27.620 -8.016 -6.000 1.00 20.00 N ATOM 882 NH2 ARG A 48 -27.285 -10.222 -6.532 1.00 20.00 N ATOM 0 H ARG A 48 -25.929 -6.463 -12.630 1.00 20.00 H new ATOM 0 HA ARG A 48 -28.669 -5.703 -11.938 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -26.029 -5.355 -10.471 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -27.614 -4.985 -9.821 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -28.247 -7.401 -10.086 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -26.619 -7.741 -10.638 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -25.720 -6.857 -8.476 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -27.359 -6.574 -7.925 1.00 20.00 H new ATOM 0 HE ARG A 48 -26.540 -9.335 -8.727 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -27.583 -7.029 -6.256 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -27.942 -8.291 -5.072 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -26.990 -10.937 -7.197 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -27.608 -10.492 -5.603 1.00 20.00 H new ATOM 896 N MET A 49 -26.263 -3.622 -12.775 1.00 20.00 N ATOM 897 CA MET A 49 -25.955 -2.246 -13.147 1.00 20.00 C ATOM 898 C MET A 49 -26.780 -1.797 -14.346 1.00 20.00 C ATOM 899 O MET A 49 -27.276 -0.674 -14.371 1.00 20.00 O ATOM 900 CB MET A 49 -24.465 -2.092 -13.447 1.00 20.00 C ATOM 901 CG MET A 49 -23.583 -2.327 -12.234 1.00 20.00 C ATOM 902 SD MET A 49 -23.961 -1.203 -10.875 1.00 20.00 S ATOM 903 CE MET A 49 -22.856 -1.820 -9.606 1.00 20.00 C ATOM 0 H MET A 49 -25.485 -4.272 -12.890 1.00 20.00 H new ATOM 0 HA MET A 49 -26.213 -1.609 -12.301 1.00 20.00 H new ATOM 0 HB2 MET A 49 -24.185 -2.793 -14.233 1.00 20.00 H new ATOM 0 HB3 MET A 49 -24.281 -1.090 -13.834 1.00 20.00 H new ATOM 0 HG2 MET A 49 -23.705 -3.356 -11.895 1.00 20.00 H new ATOM 0 HG3 MET A 49 -22.538 -2.207 -12.520 1.00 20.00 H new ATOM 0 HE1 MET A 49 -22.973 -1.225 -8.700 1.00 20.00 H new ATOM 0 HE2 MET A 49 -23.096 -2.861 -9.390 1.00 20.00 H new ATOM 0 HE3 MET A 49 -21.826 -1.750 -9.955 1.00 20.00 H new ATOM 913 N ALA A 50 -26.945 -2.682 -15.320 1.00 20.00 N ATOM 914 CA ALA A 50 -27.717 -2.372 -16.519 1.00 20.00 C ATOM 915 C ALA A 50 -29.160 -2.024 -16.170 1.00 20.00 C ATOM 916 O ALA A 50 -29.817 -1.263 -16.880 1.00 20.00 O ATOM 917 CB ALA A 50 -27.676 -3.541 -17.486 1.00 20.00 C ATOM 0 H ALA A 50 -26.554 -3.624 -15.304 1.00 20.00 H new ATOM 0 HA ALA A 50 -27.267 -1.501 -16.996 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -28.256 -3.297 -18.376 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -26.643 -3.743 -17.769 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -28.100 -4.424 -17.008 1.00 20.00 H new ATOM 923 N GLU A 51 -29.640 -2.592 -15.076 1.00 20.00 N ATOM 924 CA GLU A 51 -30.981 -2.315 -14.585 1.00 20.00 C ATOM 925 C GLU A 51 -31.010 -1.001 -13.813 1.00 20.00 C ATOM 926 O GLU A 51 -31.884 -0.163 -14.024 1.00 20.00 O ATOM 927 CB GLU A 51 -31.458 -3.454 -13.685 1.00 20.00 C ATOM 928 CG GLU A 51 -31.766 -4.743 -14.427 1.00 20.00 C ATOM 929 CD GLU A 51 -32.988 -4.623 -15.308 1.00 20.00 C ATOM 930 OE1 GLU A 51 -34.110 -4.511 -14.765 1.00 20.00 O ATOM 931 OE2 GLU A 51 -32.838 -4.638 -16.548 1.00 20.00 O ATOM 0 H GLU A 51 -29.115 -3.255 -14.505 1.00 20.00 H new ATOM 0 HA GLU A 51 -31.649 -2.232 -15.442 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -30.694 -3.653 -12.934 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -32.352 -3.131 -13.152 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -30.907 -5.022 -15.038 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -31.919 -5.546 -13.706 1.00 20.00 H new ATOM 938 N ARG A 52 -30.034 -0.820 -12.934 1.00 20.00 N ATOM 939 CA ARG A 52 -29.975 0.362 -12.082 1.00 20.00 C ATOM 940 C ARG A 52 -29.681 1.615 -12.899 1.00 20.00 C ATOM 941 O ARG A 52 -30.334 2.647 -12.734 1.00 20.00 O ATOM 942 CB ARG A 52 -28.912 0.185 -10.992 1.00 20.00 C ATOM 943 CG ARG A 52 -29.217 -0.920 -9.983 1.00 20.00 C ATOM 944 CD ARG A 52 -30.401 -0.575 -9.088 1.00 20.00 C ATOM 945 NE ARG A 52 -31.678 -0.592 -9.803 1.00 20.00 N ATOM 946 CZ ARG A 52 -32.786 0.004 -9.363 1.00 20.00 C ATOM 947 NH1 ARG A 52 -32.783 0.657 -8.207 1.00 20.00 N ATOM 948 NH2 ARG A 52 -33.902 -0.058 -10.076 1.00 20.00 N ATOM 0 H ARG A 52 -29.269 -1.479 -12.791 1.00 20.00 H new ATOM 0 HA ARG A 52 -30.950 0.482 -11.610 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -27.955 -0.029 -11.467 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -28.799 1.128 -10.456 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -29.425 -1.848 -10.516 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -28.337 -1.098 -9.365 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -30.444 -1.284 -8.261 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -30.246 0.413 -8.654 1.00 20.00 H new ATOM 0 HE ARG A 52 -31.723 -1.090 -10.692 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -31.930 0.705 -7.650 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -33.634 1.111 -7.876 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -33.913 -0.562 -10.963 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -34.749 0.399 -9.738 1.00 20.00 H new ATOM 962 N PHE A 53 -28.710 1.514 -13.796 1.00 20.00 N ATOM 963 CA PHE A 53 -28.300 2.645 -14.611 1.00 20.00 C ATOM 964 C PHE A 53 -29.341 2.972 -15.667 1.00 20.00 C ATOM 965 O PHE A 53 -29.364 4.081 -16.191 1.00 20.00 O ATOM 966 CB PHE A 53 -26.949 2.373 -15.270 1.00 20.00 C ATOM 967 CG PHE A 53 -25.775 2.596 -14.353 1.00 20.00 C ATOM 968 CD1 PHE A 53 -25.521 1.735 -13.295 1.00 20.00 C ATOM 969 CD2 PHE A 53 -24.924 3.672 -14.554 1.00 20.00 C ATOM 970 CE1 PHE A 53 -24.445 1.948 -12.456 1.00 20.00 C ATOM 971 CE2 PHE A 53 -23.846 3.888 -13.716 1.00 20.00 C ATOM 972 CZ PHE A 53 -23.605 3.024 -12.667 1.00 20.00 C ATOM 0 H PHE A 53 -28.190 0.655 -13.977 1.00 20.00 H new ATOM 0 HA PHE A 53 -28.203 3.508 -13.952 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -26.929 1.344 -15.628 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -26.844 3.016 -16.144 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -26.171 0.890 -13.126 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -25.106 4.350 -15.375 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -24.260 1.272 -11.634 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -23.193 4.732 -13.882 1.00 20.00 H new ATOM 0 HZ PHE A 53 -22.762 3.189 -12.013 1.00 20.00 H new ATOM 982 N ALA A 54 -30.207 2.010 -15.967 1.00 20.00 N ATOM 983 CA ALA A 54 -31.287 2.227 -16.922 1.00 20.00 C ATOM 984 C ALA A 54 -32.179 3.374 -16.466 1.00 20.00 C ATOM 985 O ALA A 54 -32.624 4.192 -17.271 1.00 20.00 O ATOM 986 CB ALA A 54 -32.107 0.958 -17.096 1.00 20.00 C ATOM 0 H ALA A 54 -30.182 1.074 -15.563 1.00 20.00 H new ATOM 0 HA ALA A 54 -30.847 2.490 -17.884 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -32.909 1.138 -17.812 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -31.465 0.158 -17.464 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -32.536 0.668 -16.137 1.00 20.00 H new ATOM 992 N LYS A 55 -32.410 3.438 -15.164 1.00 20.00 N ATOM 993 CA LYS A 55 -33.224 4.491 -14.578 1.00 20.00 C ATOM 994 C LYS A 55 -32.472 5.823 -14.582 1.00 20.00 C ATOM 995 O LYS A 55 -33.080 6.893 -14.656 1.00 20.00 O ATOM 996 CB LYS A 55 -33.628 4.100 -13.150 1.00 20.00 C ATOM 997 CG LYS A 55 -34.463 5.148 -12.427 1.00 20.00 C ATOM 998 CD LYS A 55 -34.923 4.650 -11.071 1.00 20.00 C ATOM 999 CE LYS A 55 -35.701 5.718 -10.319 1.00 20.00 C ATOM 1000 NZ LYS A 55 -36.229 5.221 -9.022 1.00 20.00 N ATOM 0 H LYS A 55 -32.042 2.768 -14.489 1.00 20.00 H new ATOM 0 HA LYS A 55 -34.125 4.615 -15.178 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -34.190 3.166 -13.186 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -32.726 3.907 -12.569 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -33.878 6.059 -12.302 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -35.330 5.407 -13.035 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -35.548 3.766 -11.200 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -34.058 4.346 -10.482 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -35.055 6.578 -10.141 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -36.529 6.065 -10.937 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -36.752 5.983 -8.545 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -36.867 4.417 -9.192 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -35.438 4.914 -8.420 1.00 20.00 H new ATOM 1014 N MET A 56 -31.149 5.739 -14.523 1.00 20.00 N ATOM 1015 CA MET A 56 -30.292 6.921 -14.470 1.00 20.00 C ATOM 1016 C MET A 56 -29.870 7.371 -15.870 1.00 20.00 C ATOM 1017 O MET A 56 -29.045 8.274 -16.016 1.00 20.00 O ATOM 1018 CB MET A 56 -29.042 6.626 -13.635 1.00 20.00 C ATOM 1019 CG MET A 56 -29.327 6.220 -12.196 1.00 20.00 C ATOM 1020 SD MET A 56 -27.826 5.785 -11.292 1.00 20.00 S ATOM 1021 CE MET A 56 -28.511 5.403 -9.681 1.00 20.00 C ATOM 0 H MET A 56 -30.640 4.855 -14.510 1.00 20.00 H new ATOM 0 HA MET A 56 -30.866 7.725 -14.008 1.00 20.00 H new ATOM 0 HB2 MET A 56 -28.477 5.830 -14.119 1.00 20.00 H new ATOM 0 HB3 MET A 56 -28.406 7.511 -13.631 1.00 20.00 H new ATOM 0 HG2 MET A 56 -29.832 7.039 -11.684 1.00 20.00 H new ATOM 0 HG3 MET A 56 -30.010 5.371 -12.190 1.00 20.00 H new ATOM 0 HE1 MET A 56 -27.708 5.115 -9.003 1.00 20.00 H new ATOM 0 HE2 MET A 56 -29.022 6.281 -9.285 1.00 20.00 H new ATOM 0 HE3 MET A 56 -29.221 4.581 -9.773 1.00 20.00 H new ATOM 1031 N ARG A 57 -30.421 6.733 -16.895 1.00 20.00 N ATOM 1032 CA ARG A 57 -30.043 7.042 -18.272 1.00 20.00 C ATOM 1033 C ARG A 57 -30.876 8.174 -18.852 1.00 20.00 C ATOM 1034 O ARG A 57 -30.464 8.822 -19.813 1.00 20.00 O ATOM 1035 CB ARG A 57 -30.163 5.806 -19.166 1.00 20.00 C ATOM 1036 CG ARG A 57 -28.958 4.884 -19.089 1.00 20.00 C ATOM 1037 CD ARG A 57 -29.138 3.656 -19.966 1.00 20.00 C ATOM 1038 NE ARG A 57 -29.438 4.007 -21.353 1.00 20.00 N ATOM 1039 CZ ARG A 57 -29.782 3.119 -22.284 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -29.804 1.825 -21.992 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -30.090 3.525 -23.508 1.00 20.00 N ATOM 0 H ARG A 57 -31.127 6.003 -16.802 1.00 20.00 H new ATOM 0 HA ARG A 57 -29.002 7.365 -18.245 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -31.056 5.248 -18.884 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -30.300 6.126 -20.199 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -28.064 5.425 -19.399 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -28.801 4.574 -18.056 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -28.231 3.053 -19.934 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -29.944 3.041 -19.566 1.00 20.00 H new ATOM 0 HE ARG A 57 -29.381 4.989 -21.623 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -29.557 1.510 -21.054 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -30.068 1.146 -22.706 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -30.064 4.518 -23.738 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -30.353 2.844 -24.220 1.00 20.00 H new ATOM 1055 N LYS A 58 -32.040 8.421 -18.273 1.00 20.00 N ATOM 1056 CA LYS A 58 -32.929 9.442 -18.795 1.00 20.00 C ATOM 1057 C LYS A 58 -33.941 9.870 -17.745 1.00 20.00 C ATOM 1058 O LYS A 58 -34.433 9.050 -16.973 1.00 20.00 O ATOM 1059 CB LYS A 58 -33.650 8.923 -20.042 1.00 20.00 C ATOM 1060 CG LYS A 58 -34.596 9.934 -20.670 1.00 20.00 C ATOM 1061 CD LYS A 58 -35.229 9.392 -21.937 1.00 20.00 C ATOM 1062 CE LYS A 58 -36.261 10.353 -22.503 1.00 20.00 C ATOM 1063 NZ LYS A 58 -37.410 10.548 -21.579 1.00 20.00 N ATOM 0 H LYS A 58 -32.388 7.932 -17.448 1.00 20.00 H new ATOM 0 HA LYS A 58 -32.330 10.312 -19.065 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -32.907 8.626 -20.782 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -34.213 8.028 -19.778 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -35.376 10.196 -19.956 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -34.052 10.850 -20.898 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -34.454 9.209 -22.682 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -35.702 8.433 -21.726 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -35.789 11.315 -22.702 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -36.625 9.973 -23.458 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -38.184 11.026 -22.083 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -37.740 9.624 -21.235 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -37.111 11.131 -20.772 1.00 20.00 H new ATOM 1077 N GLU A 59 -34.243 11.158 -17.733 1.00 20.00 N ATOM 1078 CA GLU A 59 -35.209 11.722 -16.802 1.00 20.00 C ATOM 1079 C GLU A 59 -36.598 11.748 -17.430 1.00 20.00 C ATOM 1080 O GLU A 59 -36.734 11.817 -18.655 1.00 20.00 O ATOM 1081 CB GLU A 59 -34.791 13.140 -16.417 1.00 20.00 C ATOM 1082 CG GLU A 59 -33.491 13.205 -15.636 1.00 20.00 C ATOM 1083 CD GLU A 59 -32.968 14.617 -15.517 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -33.508 15.390 -14.699 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -32.024 14.970 -16.254 1.00 20.00 O ATOM 0 H GLU A 59 -33.827 11.841 -18.366 1.00 20.00 H new ATOM 0 HA GLU A 59 -35.238 11.099 -15.908 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -34.690 13.738 -17.323 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -35.584 13.594 -15.823 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -33.647 12.792 -14.640 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -32.743 12.582 -16.126 1.00 20.00 H new ATOM 1092 N ARG A 60 -37.621 11.698 -16.587 1.00 20.00 N ATOM 1093 CA ARG A 60 -39.003 11.726 -17.053 1.00 20.00 C ATOM 1094 C ARG A 60 -39.506 13.157 -17.074 1.00 20.00 C ATOM 1095 O ARG A 60 -38.996 14.008 -16.343 1.00 20.00 O ATOM 1096 CB ARG A 60 -39.923 10.889 -16.147 1.00 20.00 C ATOM 1097 CG ARG A 60 -39.566 9.413 -16.065 1.00 20.00 C ATOM 1098 CD ARG A 60 -38.383 9.169 -15.145 1.00 20.00 C ATOM 1099 NE ARG A 60 -37.942 7.779 -15.173 1.00 20.00 N ATOM 1100 CZ ARG A 60 -36.692 7.398 -14.933 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -35.776 8.292 -14.580 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -36.359 6.120 -15.036 1.00 20.00 N ATOM 0 H ARG A 60 -37.520 11.638 -15.574 1.00 20.00 H new ATOM 0 HA ARG A 60 -39.023 11.300 -18.056 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -39.901 11.310 -15.142 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -40.947 10.981 -16.509 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -40.428 8.850 -15.706 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -39.334 9.039 -17.062 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -37.557 9.817 -15.438 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -38.655 9.442 -14.125 1.00 20.00 H new ATOM 0 HE ARG A 60 -38.632 7.059 -15.389 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -36.031 9.276 -14.492 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -34.818 7.995 -14.397 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -37.062 5.429 -15.299 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -35.400 5.827 -14.852 1.00 20.00 H new ATOM 1116 N SER A 61 -40.505 13.421 -17.901 1.00 20.00 N ATOM 1117 CA SER A 61 -41.117 14.740 -17.959 1.00 20.00 C ATOM 1118 C SER A 61 -42.066 14.940 -16.777 1.00 20.00 C ATOM 1119 O SER A 61 -43.254 15.222 -16.949 1.00 20.00 O ATOM 1120 CB SER A 61 -41.853 14.918 -19.291 1.00 20.00 C ATOM 1121 OG SER A 61 -42.524 13.722 -19.663 1.00 20.00 O ATOM 0 H SER A 61 -40.910 12.739 -18.542 1.00 20.00 H new ATOM 0 HA SER A 61 -40.336 15.497 -17.894 1.00 20.00 H new ATOM 0 HB2 SER A 61 -42.572 15.733 -19.208 1.00 20.00 H new ATOM 0 HB3 SER A 61 -41.143 15.198 -20.069 1.00 20.00 H new ATOM 0 HG SER A 61 -42.988 13.859 -20.515 1.00 20.00 H new ATOM 1127 N LYS A 62 -41.530 14.773 -15.575 1.00 20.00 N ATOM 1128 CA LYS A 62 -42.304 14.936 -14.360 1.00 20.00 C ATOM 1129 C LYS A 62 -42.305 16.394 -13.926 1.00 20.00 C ATOM 1130 O LYS A 62 -41.296 16.911 -13.443 1.00 20.00 O ATOM 1131 CB LYS A 62 -41.746 14.054 -13.241 1.00 20.00 C ATOM 1132 CG LYS A 62 -42.391 14.320 -11.893 1.00 20.00 C ATOM 1133 CD LYS A 62 -41.800 13.449 -10.802 1.00 20.00 C ATOM 1134 CE LYS A 62 -42.248 13.912 -9.424 1.00 20.00 C ATOM 1135 NZ LYS A 62 -43.730 14.003 -9.317 1.00 20.00 N ATOM 0 H LYS A 62 -40.554 14.523 -15.419 1.00 20.00 H new ATOM 0 HA LYS A 62 -43.330 14.628 -14.564 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -41.891 13.007 -13.506 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -40.671 14.216 -13.161 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -42.262 15.370 -11.629 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -43.464 14.138 -11.962 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -42.102 12.413 -10.956 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -40.712 13.476 -10.861 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -41.873 13.220 -8.670 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -41.809 14.886 -9.209 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -43.999 14.139 -8.321 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -44.070 14.809 -9.880 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -44.158 13.125 -9.675 1.00 20.00 H new ATOM 1149 N GLN A 63 -43.434 17.047 -14.102 1.00 20.00 N ATOM 1150 CA GLN A 63 -43.569 18.443 -13.740 1.00 20.00 C ATOM 1151 C GLN A 63 -44.986 18.698 -13.252 1.00 20.00 C ATOM 1152 O GLN A 63 -45.171 18.862 -12.031 1.00 20.00 O ATOM 1153 CB GLN A 63 -43.234 19.337 -14.937 1.00 20.00 C ATOM 1154 CG GLN A 63 -43.170 20.818 -14.601 1.00 20.00 C ATOM 1155 CD GLN A 63 -42.725 21.658 -15.781 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -41.974 21.198 -16.641 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -43.177 22.900 -15.829 1.00 20.00 N ATOM 1158 OXT GLN A 63 -45.913 18.681 -14.088 1.00 20.00 O ATOM 0 H GLN A 63 -44.277 16.630 -14.496 1.00 20.00 H new ATOM 0 HA GLN A 63 -42.870 18.682 -12.939 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -42.275 19.027 -15.352 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -43.983 19.183 -15.714 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -44.152 21.155 -14.268 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -42.482 20.970 -13.770 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -43.798 23.245 -15.097 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -42.905 23.513 -16.598 1.00 20.00 H new TER 1167 GLN A 63