USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 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+ -138:sc= 0.221 (180deg=-0.413) USER MOD Single : A 2 ASN : amide:sc= -0.81 K(o=-0.81,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -163:sc= -0.1 (180deg=-0.623) USER MOD Single : A -4 LYS NZ :NH3+ -154:sc= 1.09 (180deg=-0.183!) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 158:sc= -0.133 (180deg=-0.75) USER MOD Single : A -7 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0742 USER MOD Single : A 14 THR OG1 : rot 56:sc= 0.0445 USER MOD Single : A 17 GLN : amide:sc= 0.148 K(o=0.15,f=-0.68) USER MOD Single : A 19 ASN : amide:sc= -2.83! C(o=-2.8!,f=-3.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0197 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= 0.0244 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,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 161:sc= -0.153 (180deg=-0.706) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0518) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= -0.0168 (180deg=-0.212) USER MOD Single : A 63 GLN : amide:sc= -0.0531 K(o=-0.053,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -56.456 17.028 37.560 1.00 20.00 N ATOM 2 CA MET A -7 -55.165 17.305 38.230 1.00 20.00 C ATOM 3 C MET A -7 -54.430 15.997 38.497 1.00 20.00 C ATOM 4 O MET A -7 -54.335 15.540 39.636 1.00 20.00 O ATOM 5 CB MET A -7 -55.401 18.054 39.548 1.00 20.00 C ATOM 6 CG MET A -7 -54.129 18.601 40.180 1.00 20.00 C ATOM 7 SD MET A -7 -53.365 19.905 39.195 1.00 20.00 S ATOM 8 CE MET A -7 -54.646 21.159 39.241 1.00 20.00 C ATOM 0 H1 MET A -7 -56.953 17.924 37.380 1.00 20.00 H new ATOM 0 H2 MET A -7 -56.281 16.542 36.657 1.00 20.00 H new ATOM 0 H3 MET A -7 -57.042 16.424 38.171 1.00 20.00 H new ATOM 0 HA MET A -7 -54.555 17.930 37.577 1.00 20.00 H new ATOM 0 HB2 MET A -7 -56.090 18.879 39.368 1.00 20.00 H new ATOM 0 HB3 MET A -7 -55.887 17.382 40.255 1.00 20.00 H new ATOM 0 HG2 MET A -7 -54.359 18.989 41.172 1.00 20.00 H new ATOM 0 HG3 MET A -7 -53.416 17.787 40.313 1.00 20.00 H new ATOM 0 HE1 MET A -7 -54.207 22.135 39.034 1.00 20.00 H new ATOM 0 HE2 MET A -7 -55.402 20.934 38.489 1.00 20.00 H new ATOM 0 HE3 MET A -7 -55.108 21.171 40.228 1.00 20.00 H new ATOM 20 N ASP A -6 -53.922 15.389 37.435 1.00 20.00 N ATOM 21 CA ASP A -6 -53.243 14.102 37.543 1.00 20.00 C ATOM 22 C ASP A -6 -51.738 14.263 37.368 1.00 20.00 C ATOM 23 O ASP A -6 -50.974 13.312 37.560 1.00 20.00 O ATOM 24 CB ASP A -6 -53.796 13.112 36.508 1.00 20.00 C ATOM 25 CG ASP A -6 -53.543 13.544 35.078 1.00 20.00 C ATOM 26 OD1 ASP A -6 -53.896 14.687 34.719 1.00 20.00 O ATOM 27 OD2 ASP A -6 -53.008 12.738 34.292 1.00 20.00 O ATOM 0 H ASP A -6 -53.966 15.765 36.488 1.00 20.00 H new ATOM 0 HA ASP A -6 -53.431 13.706 38.541 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -53.343 12.134 36.671 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -54.869 12.996 36.662 1.00 20.00 H new ATOM 32 N TYR A -5 -51.329 15.482 37.020 1.00 20.00 N ATOM 33 CA TYR A -5 -49.919 15.826 36.829 1.00 20.00 C ATOM 34 C TYR A -5 -49.275 14.974 35.736 1.00 20.00 C ATOM 35 O TYR A -5 -49.978 14.388 34.907 1.00 20.00 O ATOM 36 CB TYR A -5 -49.151 15.694 38.149 1.00 20.00 C ATOM 37 CG TYR A -5 -49.521 16.753 39.162 1.00 20.00 C ATOM 38 CD1 TYR A -5 -49.005 18.038 39.059 1.00 20.00 C ATOM 39 CD2 TYR A -5 -50.382 16.475 40.215 1.00 20.00 C ATOM 40 CE1 TYR A -5 -49.337 19.015 39.975 1.00 20.00 C ATOM 41 CE2 TYR A -5 -50.720 17.448 41.136 1.00 20.00 C ATOM 42 CZ TYR A -5 -50.193 18.716 41.011 1.00 20.00 C ATOM 43 OH TYR A -5 -50.526 19.692 41.924 1.00 20.00 O ATOM 0 H TYR A -5 -51.967 16.262 36.862 1.00 20.00 H new ATOM 0 HA TYR A -5 -49.871 16.865 36.502 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -49.342 14.709 38.576 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -48.081 15.752 37.947 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -48.333 18.277 38.248 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -50.794 15.482 40.316 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -48.927 20.010 39.880 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -51.393 17.217 41.949 1.00 20.00 H new ATOM 0 HH TYR A -5 -51.140 19.320 42.591 1.00 20.00 H new ATOM 53 N LYS A -4 -47.945 14.944 35.722 1.00 20.00 N ATOM 54 CA LYS A -4 -47.185 14.202 34.720 1.00 20.00 C ATOM 55 C LYS A -4 -47.525 14.718 33.321 1.00 20.00 C ATOM 56 O LYS A -4 -48.175 14.040 32.518 1.00 20.00 O ATOM 57 CB LYS A -4 -47.450 12.694 34.849 1.00 20.00 C ATOM 58 CG LYS A -4 -46.685 11.837 33.850 1.00 20.00 C ATOM 59 CD LYS A -4 -45.183 11.992 34.002 1.00 20.00 C ATOM 60 CE LYS A -4 -44.441 11.121 33.005 1.00 20.00 C ATOM 61 NZ LYS A -4 -42.975 11.336 33.065 1.00 20.00 N ATOM 0 H LYS A -4 -47.365 15.433 36.404 1.00 20.00 H new ATOM 0 HA LYS A -4 -46.120 14.360 34.888 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -47.189 12.376 35.858 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -48.517 12.512 34.724 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -46.957 10.790 33.987 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -46.977 12.113 32.837 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -44.905 13.036 33.855 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -44.887 11.723 35.016 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -44.662 10.072 33.204 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -44.798 11.337 31.998 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -42.552 11.100 32.145 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -42.779 12.332 33.291 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -42.565 10.727 33.801 1.00 20.00 H new ATOM 75 N ASP A -3 -47.102 15.944 33.054 1.00 20.00 N ATOM 76 CA ASP A -3 -47.369 16.586 31.771 1.00 20.00 C ATOM 77 C ASP A -3 -46.355 17.701 31.501 1.00 20.00 C ATOM 78 O ASP A -3 -46.432 18.400 30.490 1.00 20.00 O ATOM 79 CB ASP A -3 -48.806 17.132 31.758 1.00 20.00 C ATOM 80 CG ASP A -3 -49.227 17.702 30.417 1.00 20.00 C ATOM 81 OD1 ASP A -3 -49.178 16.965 29.407 1.00 20.00 O ATOM 82 OD2 ASP A -3 -49.636 18.883 30.374 1.00 20.00 O ATOM 0 H ASP A -3 -46.571 16.518 33.709 1.00 20.00 H new ATOM 0 HA ASP A -3 -47.266 15.848 30.975 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -49.492 16.332 32.035 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -48.898 17.908 32.518 1.00 20.00 H new ATOM 87 N ASP A -2 -45.385 17.850 32.396 1.00 20.00 N ATOM 88 CA ASP A -2 -44.375 18.897 32.253 1.00 20.00 C ATOM 89 C ASP A -2 -43.154 18.386 31.507 1.00 20.00 C ATOM 90 O ASP A -2 -42.641 19.057 30.610 1.00 20.00 O ATOM 91 CB ASP A -2 -43.947 19.461 33.610 1.00 20.00 C ATOM 92 CG ASP A -2 -45.034 20.279 34.276 1.00 20.00 C ATOM 93 OD1 ASP A -2 -45.293 21.420 33.836 1.00 20.00 O ATOM 94 OD2 ASP A -2 -45.634 19.791 35.255 1.00 20.00 O ATOM 0 H ASP A -2 -45.275 17.264 33.224 1.00 20.00 H new ATOM 0 HA ASP A -2 -44.835 19.699 31.675 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -43.664 18.639 34.267 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -43.061 20.082 33.477 1.00 20.00 H new ATOM 99 N ASP A -1 -42.693 17.195 31.867 1.00 20.00 N ATOM 100 CA ASP A -1 -41.531 16.601 31.205 1.00 20.00 C ATOM 101 C ASP A -1 -41.883 16.198 29.779 1.00 20.00 C ATOM 102 O ASP A -1 -41.001 16.015 28.941 1.00 20.00 O ATOM 103 CB ASP A -1 -40.980 15.394 31.986 1.00 20.00 C ATOM 104 CG ASP A -1 -41.905 14.190 32.002 1.00 20.00 C ATOM 105 OD1 ASP A -1 -41.820 13.348 31.085 1.00 20.00 O ATOM 106 OD2 ASP A -1 -42.702 14.060 32.955 1.00 20.00 O ATOM 0 H ASP A -1 -43.099 16.623 32.607 1.00 20.00 H new ATOM 0 HA ASP A -1 -40.746 17.357 31.177 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -40.025 15.099 31.551 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -40.782 15.700 33.013 1.00 20.00 H new ATOM 111 N ASP A 0 -43.179 16.091 29.505 1.00 20.00 N ATOM 112 CA ASP A 0 -43.662 15.788 28.163 1.00 20.00 C ATOM 113 C ASP A 0 -43.525 16.995 27.252 1.00 20.00 C ATOM 114 O ASP A 0 -43.495 16.861 26.029 1.00 20.00 O ATOM 115 CB ASP A 0 -45.119 15.329 28.189 1.00 20.00 C ATOM 116 CG ASP A 0 -45.273 13.930 28.735 1.00 20.00 C ATOM 117 OD1 ASP A 0 -44.697 12.990 28.144 1.00 20.00 O ATOM 118 OD2 ASP A 0 -45.985 13.758 29.745 1.00 20.00 O ATOM 0 H ASP A 0 -43.917 16.210 30.199 1.00 20.00 H new ATOM 0 HA ASP A 0 -43.047 14.977 27.773 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -45.704 16.020 28.797 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -45.528 15.369 27.179 1.00 20.00 H new ATOM 123 N LYS A 1 -43.431 18.179 27.850 1.00 20.00 N ATOM 124 CA LYS A 1 -43.242 19.405 27.084 1.00 20.00 C ATOM 125 C LYS A 1 -41.834 19.446 26.511 1.00 20.00 C ATOM 126 O LYS A 1 -41.552 20.190 25.577 1.00 20.00 O ATOM 127 CB LYS A 1 -43.476 20.652 27.948 1.00 20.00 C ATOM 128 CG LYS A 1 -44.906 20.821 28.441 1.00 20.00 C ATOM 129 CD LYS A 1 -45.901 20.884 27.292 1.00 20.00 C ATOM 130 CE LYS A 1 -47.294 21.252 27.781 1.00 20.00 C ATOM 131 NZ LYS A 1 -47.746 20.376 28.893 1.00 20.00 N ATOM 0 H LYS A 1 -43.483 18.315 28.860 1.00 20.00 H new ATOM 0 HA LYS A 1 -43.973 19.407 26.276 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -42.811 20.611 28.810 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -43.197 21.535 27.372 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -45.163 19.991 29.098 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -44.980 21.732 29.035 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -45.566 21.618 26.559 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -45.935 19.920 26.785 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -47.299 22.290 28.113 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -47.999 21.179 26.953 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -48.744 20.120 28.750 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -47.166 19.513 28.912 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -47.645 20.881 29.796 1.00 20.00 H new ATOM 145 N ASN A 2 -40.961 18.632 27.082 1.00 20.00 N ATOM 146 CA ASN A 2 -39.575 18.561 26.652 1.00 20.00 C ATOM 147 C ASN A 2 -39.302 17.196 26.043 1.00 20.00 C ATOM 148 O ASN A 2 -38.476 16.435 26.546 1.00 20.00 O ATOM 149 CB ASN A 2 -38.631 18.807 27.835 1.00 20.00 C ATOM 150 CG ASN A 2 -38.825 20.168 28.481 1.00 20.00 C ATOM 151 OD1 ASN A 2 -38.666 20.316 29.693 1.00 20.00 O ATOM 152 ND2 ASN A 2 -39.157 21.174 27.684 1.00 20.00 N ATOM 0 H ASN A 2 -41.192 18.005 27.853 1.00 20.00 H new ATOM 0 HA ASN A 2 -39.397 19.334 25.904 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -38.787 18.031 28.584 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -37.600 18.718 27.494 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -39.289 22.109 28.070 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -39.280 21.013 26.684 1.00 20.00 H new ATOM 159 N ARG A 3 -40.023 16.881 24.971 1.00 20.00 N ATOM 160 CA ARG A 3 -39.896 15.585 24.320 1.00 20.00 C ATOM 161 C ARG A 3 -38.470 15.382 23.803 1.00 20.00 C ATOM 162 O ARG A 3 -37.980 16.146 22.972 1.00 20.00 O ATOM 163 CB ARG A 3 -40.936 15.417 23.185 1.00 20.00 C ATOM 164 CG ARG A 3 -40.656 16.177 21.885 1.00 20.00 C ATOM 165 CD ARG A 3 -40.984 17.662 21.975 1.00 20.00 C ATOM 166 NE ARG A 3 -39.924 18.432 22.621 1.00 20.00 N ATOM 167 CZ ARG A 3 -40.031 19.721 22.939 1.00 20.00 C ATOM 168 NH1 ARG A 3 -41.129 20.396 22.624 1.00 20.00 N ATOM 169 NH2 ARG A 3 -39.034 20.341 23.558 1.00 20.00 N ATOM 0 H ARG A 3 -40.701 17.507 24.536 1.00 20.00 H new ATOM 0 HA ARG A 3 -40.102 14.813 25.062 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -41.016 14.356 22.950 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -41.908 15.734 23.563 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -39.605 16.059 21.622 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -41.238 15.731 21.079 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -41.154 18.054 20.972 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -41.913 17.792 22.530 1.00 20.00 H new ATOM 0 HE ARG A 3 -39.050 17.954 22.842 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -41.893 19.928 22.137 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -41.209 21.383 22.869 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -38.183 19.830 23.792 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -39.119 21.328 23.800 1.00 20.00 H new ATOM 183 N ALA A 4 -37.796 14.377 24.344 1.00 20.00 N ATOM 184 CA ALA A 4 -36.424 14.078 23.961 1.00 20.00 C ATOM 185 C ALA A 4 -36.104 12.615 24.234 1.00 20.00 C ATOM 186 O ALA A 4 -34.950 12.250 24.459 1.00 20.00 O ATOM 187 CB ALA A 4 -35.457 14.983 24.714 1.00 20.00 C ATOM 0 H ALA A 4 -38.180 13.752 25.053 1.00 20.00 H new ATOM 0 HA ALA A 4 -36.313 14.262 22.893 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -34.434 14.749 24.418 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -35.674 16.025 24.477 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -35.570 14.824 25.786 1.00 20.00 H new ATOM 193 N LEU A 5 -37.133 11.780 24.219 1.00 20.00 N ATOM 194 CA LEU A 5 -36.963 10.356 24.479 1.00 20.00 C ATOM 195 C LEU A 5 -36.765 9.600 23.173 1.00 20.00 C ATOM 196 O LEU A 5 -36.384 8.432 23.170 1.00 20.00 O ATOM 197 CB LEU A 5 -38.167 9.782 25.241 1.00 20.00 C ATOM 198 CG LEU A 5 -38.278 10.178 26.723 1.00 20.00 C ATOM 199 CD1 LEU A 5 -38.623 11.653 26.884 1.00 20.00 C ATOM 200 CD2 LEU A 5 -39.317 9.315 27.422 1.00 20.00 C ATOM 0 H LEU A 5 -38.095 12.063 24.030 1.00 20.00 H new ATOM 0 HA LEU A 5 -36.076 10.233 25.101 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -39.078 10.097 24.732 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -38.127 8.695 25.178 1.00 20.00 H new ATOM 0 HG LEU A 5 -37.305 10.012 27.186 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -38.693 11.897 27.944 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -37.845 12.261 26.423 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -39.578 11.858 26.401 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -39.386 9.606 28.470 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -40.286 9.453 26.943 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -39.025 8.267 27.354 1.00 20.00 H new ATOM 212 N SER A 6 -37.017 10.279 22.067 1.00 20.00 N ATOM 213 CA SER A 6 -36.900 9.668 20.757 1.00 20.00 C ATOM 214 C SER A 6 -35.775 10.320 19.960 1.00 20.00 C ATOM 215 O SER A 6 -35.624 11.544 19.982 1.00 20.00 O ATOM 216 CB SER A 6 -38.221 9.811 20.001 1.00 20.00 C ATOM 217 OG SER A 6 -39.311 9.404 20.811 1.00 20.00 O ATOM 0 H SER A 6 -37.305 11.257 22.052 1.00 20.00 H new ATOM 0 HA SER A 6 -36.668 8.611 20.885 1.00 20.00 H new ATOM 0 HB2 SER A 6 -38.358 10.847 19.693 1.00 20.00 H new ATOM 0 HB3 SER A 6 -38.192 9.209 19.093 1.00 20.00 H new ATOM 0 HG SER A 6 -40.147 9.505 20.309 1.00 20.00 H new ATOM 223 N PRO A 7 -34.969 9.516 19.249 1.00 20.00 N ATOM 224 CA PRO A 7 -33.900 10.032 18.395 1.00 20.00 C ATOM 225 C PRO A 7 -34.454 10.585 17.084 1.00 20.00 C ATOM 226 O PRO A 7 -34.085 10.139 15.998 1.00 20.00 O ATOM 227 CB PRO A 7 -33.027 8.801 18.144 1.00 20.00 C ATOM 228 CG PRO A 7 -33.965 7.647 18.234 1.00 20.00 C ATOM 229 CD PRO A 7 -35.034 8.041 19.225 1.00 20.00 C ATOM 0 HA PRO A 7 -33.356 10.859 18.851 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -32.549 8.847 17.165 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -32.231 8.723 18.884 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -34.401 7.425 17.260 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -33.444 6.748 18.562 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -36.017 7.689 18.913 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -34.842 7.616 20.210 1.00 20.00 H new ATOM 237 N MET A 8 -35.320 11.582 17.202 1.00 20.00 N ATOM 238 CA MET A 8 -36.049 12.127 16.060 1.00 20.00 C ATOM 239 C MET A 8 -35.165 13.035 15.205 1.00 20.00 C ATOM 240 O MET A 8 -35.635 13.659 14.254 1.00 20.00 O ATOM 241 CB MET A 8 -37.291 12.890 16.535 1.00 20.00 C ATOM 242 CG MET A 8 -36.987 14.029 17.496 1.00 20.00 C ATOM 243 SD MET A 8 -38.473 14.878 18.066 1.00 20.00 S ATOM 244 CE MET A 8 -39.096 15.540 16.522 1.00 20.00 C ATOM 0 H MET A 8 -35.538 12.036 18.089 1.00 20.00 H new ATOM 0 HA MET A 8 -36.361 11.288 15.438 1.00 20.00 H new ATOM 0 HB2 MET A 8 -37.813 13.291 15.666 1.00 20.00 H new ATOM 0 HB3 MET A 8 -37.971 12.190 17.021 1.00 20.00 H new ATOM 0 HG2 MET A 8 -36.445 13.637 18.357 1.00 20.00 H new ATOM 0 HG3 MET A 8 -36.330 14.747 17.005 1.00 20.00 H new ATOM 0 HE1 MET A 8 -39.821 16.327 16.730 1.00 20.00 H new ATOM 0 HE2 MET A 8 -38.270 15.952 15.943 1.00 20.00 H new ATOM 0 HE3 MET A 8 -39.577 14.744 15.953 1.00 20.00 H new ATOM 254 N VAL A 9 -33.893 13.118 15.558 1.00 20.00 N ATOM 255 CA VAL A 9 -32.929 13.849 14.753 1.00 20.00 C ATOM 256 C VAL A 9 -31.929 12.874 14.132 1.00 20.00 C ATOM 257 O VAL A 9 -31.011 13.264 13.411 1.00 20.00 O ATOM 258 CB VAL A 9 -32.185 14.914 15.595 1.00 20.00 C ATOM 259 CG1 VAL A 9 -31.122 14.279 16.484 1.00 20.00 C ATOM 260 CG2 VAL A 9 -31.582 15.989 14.702 1.00 20.00 C ATOM 0 H VAL A 9 -33.504 12.688 16.397 1.00 20.00 H new ATOM 0 HA VAL A 9 -33.469 14.368 13.961 1.00 20.00 H new ATOM 0 HB VAL A 9 -32.917 15.389 16.248 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -30.619 15.055 17.061 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -31.593 13.569 17.164 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -30.393 13.758 15.864 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -31.065 16.725 15.317 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -30.874 15.532 14.010 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -32.375 16.480 14.138 1.00 20.00 H new ATOM 270 N SER A 10 -32.125 11.594 14.418 1.00 20.00 N ATOM 271 CA SER A 10 -31.239 10.548 13.928 1.00 20.00 C ATOM 272 C SER A 10 -32.002 9.236 13.788 1.00 20.00 C ATOM 273 O SER A 10 -31.578 8.197 14.292 1.00 20.00 O ATOM 274 CB SER A 10 -30.052 10.369 14.878 1.00 20.00 C ATOM 275 OG SER A 10 -29.364 11.596 15.072 1.00 20.00 O ATOM 0 H SER A 10 -32.897 11.254 14.992 1.00 20.00 H new ATOM 0 HA SER A 10 -30.861 10.841 12.949 1.00 20.00 H new ATOM 0 HB2 SER A 10 -30.404 9.990 15.837 1.00 20.00 H new ATOM 0 HB3 SER A 10 -29.367 9.624 14.473 1.00 20.00 H new ATOM 0 HG SER A 10 -28.611 11.456 15.684 1.00 20.00 H new ATOM 281 N GLU A 11 -33.138 9.296 13.114 1.00 20.00 N ATOM 282 CA GLU A 11 -33.972 8.119 12.918 1.00 20.00 C ATOM 283 C GLU A 11 -33.465 7.315 11.730 1.00 20.00 C ATOM 284 O GLU A 11 -33.825 7.586 10.582 1.00 20.00 O ATOM 285 CB GLU A 11 -35.443 8.499 12.690 1.00 20.00 C ATOM 286 CG GLU A 11 -35.806 9.923 13.090 1.00 20.00 C ATOM 287 CD GLU A 11 -35.446 10.939 12.023 1.00 20.00 C ATOM 288 OE1 GLU A 11 -34.282 11.384 11.988 1.00 20.00 O ATOM 289 OE2 GLU A 11 -36.322 11.287 11.206 1.00 20.00 O ATOM 0 H GLU A 11 -33.506 10.149 12.692 1.00 20.00 H new ATOM 0 HA GLU A 11 -33.913 7.517 13.825 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -35.679 8.362 11.635 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -36.073 7.808 13.250 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -36.876 9.978 13.292 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -35.293 10.178 14.017 1.00 20.00 H new ATOM 296 N PHE A 12 -32.616 6.340 12.010 1.00 20.00 N ATOM 297 CA PHE A 12 -32.040 5.503 10.970 1.00 20.00 C ATOM 298 C PHE A 12 -32.277 4.035 11.289 1.00 20.00 C ATOM 299 O PHE A 12 -31.372 3.209 11.200 1.00 20.00 O ATOM 300 CB PHE A 12 -30.540 5.773 10.824 1.00 20.00 C ATOM 301 CG PHE A 12 -30.210 7.200 10.476 1.00 20.00 C ATOM 302 CD1 PHE A 12 -30.487 7.701 9.213 1.00 20.00 C ATOM 303 CD2 PHE A 12 -29.623 8.041 11.411 1.00 20.00 C ATOM 304 CE1 PHE A 12 -30.188 9.010 8.891 1.00 20.00 C ATOM 305 CE2 PHE A 12 -29.322 9.352 11.092 1.00 20.00 C ATOM 306 CZ PHE A 12 -29.606 9.836 9.831 1.00 20.00 C ATOM 0 H PHE A 12 -32.309 6.108 12.955 1.00 20.00 H new ATOM 0 HA PHE A 12 -32.527 5.746 10.025 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -30.041 5.512 11.757 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -30.136 5.118 10.052 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -30.942 7.060 8.473 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -29.399 7.667 12.399 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -30.410 9.387 7.904 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -28.865 9.997 11.828 1.00 20.00 H new ATOM 0 HZ PHE A 12 -29.373 10.860 9.580 1.00 20.00 H new ATOM 316 N GLU A 13 -33.501 3.727 11.675 1.00 20.00 N ATOM 317 CA GLU A 13 -33.882 2.363 12.014 1.00 20.00 C ATOM 318 C GLU A 13 -34.014 1.517 10.751 1.00 20.00 C ATOM 319 O GLU A 13 -33.767 0.309 10.763 1.00 20.00 O ATOM 320 CB GLU A 13 -35.200 2.364 12.789 1.00 20.00 C ATOM 321 CG GLU A 13 -35.680 0.979 13.183 1.00 20.00 C ATOM 322 CD GLU A 13 -37.019 1.016 13.879 1.00 20.00 C ATOM 323 OE1 GLU A 13 -38.052 1.103 13.183 1.00 20.00 O ATOM 324 OE2 GLU A 13 -37.048 0.970 15.126 1.00 20.00 O ATOM 0 H GLU A 13 -34.256 4.407 11.763 1.00 20.00 H new ATOM 0 HA GLU A 13 -33.104 1.929 12.641 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -35.081 2.967 13.689 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -35.967 2.845 12.182 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -35.752 0.355 12.293 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -34.944 0.514 13.839 1.00 20.00 H new ATOM 331 N THR A 14 -34.394 2.161 9.659 1.00 20.00 N ATOM 332 CA THR A 14 -34.562 1.482 8.390 1.00 20.00 C ATOM 333 C THR A 14 -33.214 1.297 7.698 1.00 20.00 C ATOM 334 O THR A 14 -32.859 2.034 6.778 1.00 20.00 O ATOM 335 CB THR A 14 -35.533 2.255 7.473 1.00 20.00 C ATOM 336 OG1 THR A 14 -35.232 3.657 7.504 1.00 20.00 O ATOM 337 CG2 THR A 14 -36.976 2.037 7.904 1.00 20.00 C ATOM 0 H THR A 14 -34.593 3.161 9.630 1.00 20.00 H new ATOM 0 HA THR A 14 -34.990 0.500 8.589 1.00 20.00 H new ATOM 0 HB THR A 14 -35.410 1.879 6.458 1.00 20.00 H new ATOM 0 HG1 THR A 14 -34.293 3.795 7.261 1.00 20.00 H new ATOM 0 HG21 THR A 14 -37.641 2.592 7.242 1.00 20.00 H new ATOM 0 HG22 THR A 14 -37.215 0.975 7.851 1.00 20.00 H new ATOM 0 HG23 THR A 14 -37.107 2.388 8.928 1.00 20.00 H new ATOM 345 N ILE A 15 -32.461 0.315 8.170 1.00 20.00 N ATOM 346 CA ILE A 15 -31.142 0.025 7.636 1.00 20.00 C ATOM 347 C ILE A 15 -31.258 -0.729 6.309 1.00 20.00 C ATOM 348 O ILE A 15 -31.239 -1.960 6.268 1.00 20.00 O ATOM 349 CB ILE A 15 -30.303 -0.792 8.645 1.00 20.00 C ATOM 350 CG1 ILE A 15 -30.151 -0.040 9.976 1.00 20.00 C ATOM 351 CG2 ILE A 15 -28.938 -1.107 8.071 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.337 1.234 9.876 1.00 20.00 C ATOM 0 H ILE A 15 -32.747 -0.301 8.931 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.633 0.972 7.459 1.00 20.00 H new ATOM 0 HB ILE A 15 -30.831 -1.726 8.836 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.142 0.204 10.359 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -29.682 -0.702 10.704 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -28.362 -1.682 8.796 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -29.053 -1.688 7.156 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -28.414 -0.178 7.847 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -29.277 1.705 10.857 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -28.333 0.997 9.525 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.815 1.917 9.174 1.00 20.00 H new ATOM 364 N GLU A 16 -31.399 0.025 5.227 1.00 20.00 N ATOM 365 CA GLU A 16 -31.571 -0.552 3.901 1.00 20.00 C ATOM 366 C GLU A 16 -30.237 -0.760 3.184 1.00 20.00 C ATOM 367 O GLU A 16 -30.096 -1.679 2.378 1.00 20.00 O ATOM 368 CB GLU A 16 -32.520 0.311 3.050 1.00 20.00 C ATOM 369 CG GLU A 16 -32.537 1.795 3.410 1.00 20.00 C ATOM 370 CD GLU A 16 -31.197 2.478 3.231 1.00 20.00 C ATOM 371 OE1 GLU A 16 -30.887 2.910 2.102 1.00 20.00 O ATOM 372 OE2 GLU A 16 -30.450 2.590 4.226 1.00 20.00 O ATOM 0 H GLU A 16 -31.397 1.045 5.243 1.00 20.00 H new ATOM 0 HA GLU A 16 -32.020 -1.536 4.035 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.238 0.210 2.002 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.532 -0.083 3.148 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -33.279 2.302 2.793 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -32.856 1.905 4.446 1.00 20.00 H new ATOM 379 N GLN A 17 -29.256 0.080 3.492 1.00 20.00 N ATOM 380 CA GLN A 17 -27.940 -0.007 2.855 1.00 20.00 C ATOM 381 C GLN A 17 -27.233 -1.305 3.223 1.00 20.00 C ATOM 382 O GLN A 17 -26.312 -1.740 2.536 1.00 20.00 O ATOM 383 CB GLN A 17 -27.059 1.183 3.245 1.00 20.00 C ATOM 384 CG GLN A 17 -27.571 2.519 2.732 1.00 20.00 C ATOM 385 CD GLN A 17 -27.561 2.605 1.217 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.714 2.007 0.553 1.00 20.00 O ATOM 387 NE2 GLN A 17 -28.515 3.330 0.656 1.00 20.00 N ATOM 0 H GLN A 17 -29.343 0.830 4.178 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.103 0.011 1.777 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.983 1.226 4.331 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.052 1.019 2.862 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.587 2.678 3.095 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.957 3.321 3.142 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -29.199 3.811 1.239 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -28.566 3.408 -0.360 1.00 20.00 H new ATOM 396 N GLU A 18 -27.671 -1.918 4.309 1.00 20.00 N ATOM 397 CA GLU A 18 -27.080 -3.164 4.772 1.00 20.00 C ATOM 398 C GLU A 18 -27.670 -4.348 4.020 1.00 20.00 C ATOM 399 O GLU A 18 -27.029 -5.382 3.883 1.00 20.00 O ATOM 400 CB GLU A 18 -27.323 -3.336 6.273 1.00 20.00 C ATOM 401 CG GLU A 18 -26.671 -4.567 6.881 1.00 20.00 C ATOM 402 CD GLU A 18 -27.087 -4.783 8.319 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.515 -4.127 9.211 1.00 20.00 O ATOM 404 OE2 GLU A 18 -27.986 -5.614 8.566 1.00 20.00 O ATOM 0 H GLU A 18 -28.436 -1.573 4.889 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.007 -3.126 4.582 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.953 -2.451 6.792 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.397 -3.384 6.451 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.937 -5.445 6.292 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.587 -4.465 6.830 1.00 20.00 H new ATOM 411 N ASN A 19 -28.883 -4.176 3.505 1.00 20.00 N ATOM 412 CA ASN A 19 -29.638 -5.281 2.909 1.00 20.00 C ATOM 413 C ASN A 19 -28.913 -5.875 1.707 1.00 20.00 C ATOM 414 O ASN A 19 -29.124 -7.039 1.360 1.00 20.00 O ATOM 415 CB ASN A 19 -31.039 -4.825 2.482 1.00 20.00 C ATOM 416 CG ASN A 19 -31.842 -4.201 3.610 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.724 -3.377 3.369 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.550 -4.577 4.845 1.00 20.00 N ATOM 0 H ASN A 19 -29.369 -3.279 3.487 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.728 -6.050 3.676 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.946 -4.104 1.670 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.586 -5.681 2.087 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.062 -4.181 5.633 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -30.813 -5.263 5.009 1.00 20.00 H new ATOM 425 N SER A 20 -28.063 -5.075 1.079 1.00 20.00 N ATOM 426 CA SER A 20 -27.288 -5.526 -0.068 1.00 20.00 C ATOM 427 C SER A 20 -26.187 -6.494 0.366 1.00 20.00 C ATOM 428 O SER A 20 -26.009 -7.564 -0.223 1.00 20.00 O ATOM 429 CB SER A 20 -26.684 -4.315 -0.775 1.00 20.00 C ATOM 430 OG SER A 20 -26.096 -3.434 0.166 1.00 20.00 O ATOM 0 H SER A 20 -27.892 -4.106 1.346 1.00 20.00 H new ATOM 0 HA SER A 20 -27.947 -6.057 -0.755 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.933 -4.643 -1.494 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.457 -3.792 -1.338 1.00 20.00 H new ATOM 0 HG SER A 20 -25.712 -2.664 -0.303 1.00 20.00 H new ATOM 436 N TYR A 21 -25.460 -6.113 1.406 1.00 20.00 N ATOM 437 CA TYR A 21 -24.371 -6.929 1.923 1.00 20.00 C ATOM 438 C TYR A 21 -24.908 -8.043 2.817 1.00 20.00 C ATOM 439 O TYR A 21 -24.372 -9.148 2.827 1.00 20.00 O ATOM 440 CB TYR A 21 -23.375 -6.058 2.695 1.00 20.00 C ATOM 441 CG TYR A 21 -22.238 -6.840 3.320 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.359 -7.575 2.533 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.053 -6.852 4.697 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.327 -8.296 3.100 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.022 -7.571 5.271 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.163 -8.291 4.468 1.00 20.00 C ATOM 447 OH TYR A 21 -19.136 -9.010 5.035 1.00 20.00 O ATOM 0 H TYR A 21 -25.606 -5.239 1.911 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.855 -7.387 1.080 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -22.961 -5.309 2.019 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.908 -5.520 3.479 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.485 -7.582 1.460 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -22.726 -6.291 5.329 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.652 -8.861 2.474 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.890 -7.569 6.343 1.00 20.00 H new ATOM 0 HH TYR A 21 -19.159 -8.900 6.009 1.00 20.00 H new ATOM 457 N ASN A 22 -25.978 -7.746 3.548 1.00 20.00 N ATOM 458 CA ASN A 22 -26.595 -8.710 4.458 1.00 20.00 C ATOM 459 C ASN A 22 -26.998 -9.975 3.717 1.00 20.00 C ATOM 460 O ASN A 22 -26.860 -11.072 4.241 1.00 20.00 O ATOM 461 CB ASN A 22 -27.821 -8.098 5.148 1.00 20.00 C ATOM 462 CG ASN A 22 -28.524 -9.071 6.080 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.429 -9.800 5.670 1.00 20.00 O ATOM 464 ND2 ASN A 22 -28.122 -9.085 7.342 1.00 20.00 N ATOM 0 H ASN A 22 -26.441 -6.837 3.528 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.857 -8.970 5.217 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.512 -7.220 5.715 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.525 -7.756 4.390 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -28.565 -9.714 8.011 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.369 -8.467 7.644 1.00 20.00 H new ATOM 471 N GLU A 23 -27.478 -9.815 2.492 1.00 20.00 N ATOM 472 CA GLU A 23 -27.888 -10.951 1.678 1.00 20.00 C ATOM 473 C GLU A 23 -26.692 -11.847 1.364 1.00 20.00 C ATOM 474 O GLU A 23 -26.759 -13.068 1.509 1.00 20.00 O ATOM 475 CB GLU A 23 -28.535 -10.467 0.380 1.00 20.00 C ATOM 476 CG GLU A 23 -28.951 -11.594 -0.549 1.00 20.00 C ATOM 477 CD GLU A 23 -29.552 -11.085 -1.838 1.00 20.00 C ATOM 478 OE1 GLU A 23 -28.792 -10.605 -2.704 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.787 -11.173 -1.993 1.00 20.00 O ATOM 0 H GLU A 23 -27.593 -8.908 2.039 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.618 -11.531 2.242 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.411 -9.865 0.623 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.836 -9.815 -0.144 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.083 -12.214 -0.776 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.674 -12.232 -0.041 1.00 20.00 H new ATOM 486 N TRP A 24 -25.592 -11.226 0.962 1.00 20.00 N ATOM 487 CA TRP A 24 -24.389 -11.958 0.596 1.00 20.00 C ATOM 488 C TRP A 24 -23.726 -12.549 1.836 1.00 20.00 C ATOM 489 O TRP A 24 -23.173 -13.650 1.800 1.00 20.00 O ATOM 490 CB TRP A 24 -23.420 -11.033 -0.146 1.00 20.00 C ATOM 491 CG TRP A 24 -22.200 -11.732 -0.654 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.950 -11.699 -0.108 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.112 -12.573 -1.810 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.091 -12.465 -0.855 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.781 -13.014 -1.905 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.032 -12.997 -2.772 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.347 -13.856 -2.922 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.600 -13.833 -3.783 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.268 -14.256 -3.851 1.00 20.00 C ATOM 0 H TRP A 24 -25.509 -10.213 0.881 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.664 -12.779 -0.066 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.941 -10.572 -0.985 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.116 -10.227 0.522 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.677 -11.151 0.781 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.099 -12.604 -0.661 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.062 -12.677 -2.726 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.319 -14.183 -2.977 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -23.302 -14.166 -4.533 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.961 -14.911 -4.653 1.00 20.00 H new ATOM 510 N LEU A 25 -23.796 -11.816 2.938 1.00 20.00 N ATOM 511 CA LEU A 25 -23.239 -12.273 4.201 1.00 20.00 C ATOM 512 C LEU A 25 -24.092 -13.398 4.774 1.00 20.00 C ATOM 513 O LEU A 25 -23.581 -14.326 5.401 1.00 20.00 O ATOM 514 CB LEU A 25 -23.161 -11.105 5.190 1.00 20.00 C ATOM 515 CG LEU A 25 -22.499 -11.415 6.534 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.036 -11.788 6.345 1.00 20.00 C ATOM 517 CD2 LEU A 25 -22.630 -10.226 7.472 1.00 20.00 C ATOM 0 H LEU A 25 -24.236 -10.897 2.982 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.233 -12.654 4.029 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.615 -10.289 4.717 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.172 -10.745 5.379 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.010 -12.269 6.979 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -20.587 -12.004 7.315 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -20.965 -12.669 5.708 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -20.506 -10.958 5.877 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.155 -10.460 8.425 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.144 -9.357 7.028 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -23.685 -10.007 7.637 1.00 20.00 H new ATOM 529 N ARG A 26 -25.396 -13.315 4.524 1.00 20.00 N ATOM 530 CA ARG A 26 -26.353 -14.308 5.001 1.00 20.00 C ATOM 531 C ARG A 26 -25.993 -15.695 4.492 1.00 20.00 C ATOM 532 O ARG A 26 -26.300 -16.695 5.130 1.00 20.00 O ATOM 533 CB ARG A 26 -27.767 -13.948 4.539 1.00 20.00 C ATOM 534 CG ARG A 26 -28.858 -14.827 5.133 1.00 20.00 C ATOM 535 CD ARG A 26 -30.173 -14.645 4.394 1.00 20.00 C ATOM 536 NE ARG A 26 -30.083 -15.119 3.013 1.00 20.00 N ATOM 537 CZ ARG A 26 -30.710 -14.557 1.982 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.434 -13.456 2.156 1.00 20.00 N ATOM 539 NH2 ARG A 26 -30.589 -15.087 0.771 1.00 20.00 N ATOM 0 H ARG A 26 -25.818 -12.558 3.986 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.318 -14.312 6.090 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.970 -12.909 4.801 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.811 -14.017 3.452 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.553 -15.872 5.085 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.993 -14.582 6.186 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.962 -15.187 4.915 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.452 -13.591 4.401 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.500 -15.935 2.828 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.511 -13.038 3.083 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -31.912 -13.029 1.362 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -30.018 -15.921 0.634 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -31.067 -14.660 -0.023 1.00 20.00 H new ATOM 553 N ALA A 27 -25.330 -15.747 3.345 1.00 20.00 N ATOM 554 CA ALA A 27 -24.906 -17.011 2.765 1.00 20.00 C ATOM 555 C ALA A 27 -24.011 -17.780 3.728 1.00 20.00 C ATOM 556 O ALA A 27 -24.104 -19.003 3.839 1.00 20.00 O ATOM 557 CB ALA A 27 -24.187 -16.767 1.452 1.00 20.00 C ATOM 0 H ALA A 27 -25.074 -14.925 2.797 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.793 -17.616 2.574 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.874 -17.720 1.026 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.859 -16.263 0.758 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.311 -16.143 1.627 1.00 20.00 H new ATOM 563 N LYS A 28 -23.160 -17.052 4.441 1.00 20.00 N ATOM 564 CA LYS A 28 -22.245 -17.662 5.397 1.00 20.00 C ATOM 565 C LYS A 28 -22.885 -17.743 6.779 1.00 20.00 C ATOM 566 O LYS A 28 -22.584 -18.644 7.562 1.00 20.00 O ATOM 567 CB LYS A 28 -20.930 -16.871 5.486 1.00 20.00 C ATOM 568 CG LYS A 28 -20.070 -16.906 4.224 1.00 20.00 C ATOM 569 CD LYS A 28 -20.642 -16.035 3.114 1.00 20.00 C ATOM 570 CE LYS A 28 -19.742 -16.028 1.887 1.00 20.00 C ATOM 571 NZ LYS A 28 -20.270 -15.144 0.817 1.00 20.00 N ATOM 0 H LYS A 28 -23.085 -16.037 4.375 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.025 -18.670 5.044 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.163 -15.832 5.720 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.344 -17.261 6.318 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.061 -16.570 4.464 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.988 -17.934 3.871 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -21.631 -16.400 2.838 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.768 -15.016 3.479 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.743 -15.697 2.171 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -19.644 -17.043 1.503 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -20.335 -15.677 -0.073 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -21.214 -14.801 1.085 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.631 -14.334 0.689 1.00 20.00 H new ATOM 585 N VAL A 29 -23.766 -16.793 7.068 1.00 20.00 N ATOM 586 CA VAL A 29 -24.438 -16.730 8.363 1.00 20.00 C ATOM 587 C VAL A 29 -25.498 -17.821 8.486 1.00 20.00 C ATOM 588 O VAL A 29 -25.629 -18.466 9.529 1.00 20.00 O ATOM 589 CB VAL A 29 -25.094 -15.349 8.584 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.846 -15.303 9.903 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.048 -14.250 8.535 1.00 20.00 C ATOM 0 H VAL A 29 -24.034 -16.052 6.421 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.678 -16.887 9.128 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.812 -15.187 7.780 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.297 -14.319 10.031 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -26.627 -16.063 9.903 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.154 -15.494 10.723 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -24.528 -13.284 8.693 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.306 -14.419 9.316 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.558 -14.257 7.561 1.00 20.00 H new ATOM 601 N ALA A 30 -26.243 -18.031 7.412 1.00 20.00 N ATOM 602 CA ALA A 30 -27.310 -19.018 7.397 1.00 20.00 C ATOM 603 C ALA A 30 -26.760 -20.406 7.110 1.00 20.00 C ATOM 604 O ALA A 30 -27.054 -21.008 6.074 1.00 20.00 O ATOM 605 CB ALA A 30 -28.375 -18.646 6.376 1.00 20.00 C ATOM 0 H ALA A 30 -26.126 -17.526 6.533 1.00 20.00 H new ATOM 0 HA ALA A 30 -27.770 -19.030 8.385 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -29.163 -19.399 6.382 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -28.799 -17.674 6.630 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -27.927 -18.598 5.384 1.00 20.00 H new ATOM 611 N THR A 31 -25.945 -20.903 8.021 1.00 20.00 N ATOM 612 CA THR A 31 -25.444 -22.260 7.937 1.00 20.00 C ATOM 613 C THR A 31 -26.518 -23.220 8.439 1.00 20.00 C ATOM 614 O THR A 31 -26.385 -23.830 9.498 1.00 20.00 O ATOM 615 CB THR A 31 -24.154 -22.423 8.762 1.00 20.00 C ATOM 616 OG1 THR A 31 -23.270 -21.327 8.485 1.00 20.00 O ATOM 617 CG2 THR A 31 -23.451 -23.733 8.433 1.00 20.00 C ATOM 0 H THR A 31 -25.614 -20.382 8.833 1.00 20.00 H new ATOM 0 HA THR A 31 -25.205 -22.487 6.898 1.00 20.00 H new ATOM 0 HB THR A 31 -24.422 -22.433 9.818 1.00 20.00 H new ATOM 0 HG1 THR A 31 -22.449 -21.428 9.011 1.00 20.00 H new ATOM 0 HG21 THR A 31 -22.544 -23.819 9.031 1.00 20.00 H new ATOM 0 HG22 THR A 31 -24.114 -24.568 8.657 1.00 20.00 H new ATOM 0 HG23 THR A 31 -23.191 -23.750 7.375 1.00 20.00 H new ATOM 625 N SER A 32 -27.599 -23.314 7.676 1.00 20.00 N ATOM 626 CA SER A 32 -28.742 -24.125 8.053 1.00 20.00 C ATOM 627 C SER A 32 -28.376 -25.606 8.069 1.00 20.00 C ATOM 628 O SER A 32 -28.304 -26.247 7.020 1.00 20.00 O ATOM 629 CB SER A 32 -29.894 -23.873 7.076 1.00 20.00 C ATOM 630 OG SER A 32 -30.106 -22.480 6.896 1.00 20.00 O ATOM 0 H SER A 32 -27.705 -22.832 6.783 1.00 20.00 H new ATOM 0 HA SER A 32 -29.054 -23.845 9.059 1.00 20.00 H new ATOM 0 HB2 SER A 32 -29.671 -24.339 6.116 1.00 20.00 H new ATOM 0 HB3 SER A 32 -30.805 -24.339 7.453 1.00 20.00 H new ATOM 0 HG SER A 32 -30.845 -22.340 6.267 1.00 20.00 H new ATOM 636 N LEU A 33 -28.117 -26.129 9.260 1.00 20.00 N ATOM 637 CA LEU A 33 -27.816 -27.540 9.433 1.00 20.00 C ATOM 638 C LEU A 33 -29.075 -28.280 9.856 1.00 20.00 C ATOM 639 O LEU A 33 -29.569 -28.098 10.968 1.00 20.00 O ATOM 640 CB LEU A 33 -26.719 -27.733 10.486 1.00 20.00 C ATOM 641 CG LEU A 33 -25.399 -27.006 10.205 1.00 20.00 C ATOM 642 CD1 LEU A 33 -24.435 -27.190 11.366 1.00 20.00 C ATOM 643 CD2 LEU A 33 -24.770 -27.502 8.908 1.00 20.00 C ATOM 0 H LEU A 33 -28.110 -25.590 10.126 1.00 20.00 H new ATOM 0 HA LEU A 33 -27.458 -27.942 8.485 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -27.101 -27.396 11.450 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -26.513 -28.799 10.580 1.00 20.00 H new ATOM 0 HG LEU A 33 -25.613 -25.943 10.094 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -23.503 -26.668 11.151 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -24.878 -26.782 12.275 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -24.232 -28.252 11.506 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -23.835 -26.971 8.731 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -24.571 -28.571 8.985 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -25.454 -27.319 8.079 1.00 20.00 H new ATOM 655 N ALA A 34 -29.603 -29.100 8.967 1.00 20.00 N ATOM 656 CA ALA A 34 -30.836 -29.814 9.235 1.00 20.00 C ATOM 657 C ALA A 34 -30.581 -31.310 9.328 1.00 20.00 C ATOM 658 O ALA A 34 -29.793 -31.864 8.560 1.00 20.00 O ATOM 659 CB ALA A 34 -31.859 -29.514 8.151 1.00 20.00 C ATOM 0 H ALA A 34 -29.196 -29.288 8.051 1.00 20.00 H new ATOM 0 HA ALA A 34 -31.232 -29.477 10.193 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -32.782 -30.055 8.362 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -32.063 -28.443 8.130 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -31.467 -29.828 7.184 1.00 20.00 H new ATOM 665 N ASP A 35 -31.238 -31.957 10.276 1.00 20.00 N ATOM 666 CA ASP A 35 -31.135 -33.403 10.429 1.00 20.00 C ATOM 667 C ASP A 35 -32.531 -34.018 10.419 1.00 20.00 C ATOM 668 O ASP A 35 -33.061 -34.409 11.457 1.00 20.00 O ATOM 669 CB ASP A 35 -30.396 -33.756 11.725 1.00 20.00 C ATOM 670 CG ASP A 35 -30.157 -35.248 11.880 1.00 20.00 C ATOM 671 OD1 ASP A 35 -29.178 -35.761 11.296 1.00 20.00 O ATOM 672 OD2 ASP A 35 -30.943 -35.915 12.590 1.00 20.00 O ATOM 0 H ASP A 35 -31.851 -31.504 10.954 1.00 20.00 H new ATOM 0 HA ASP A 35 -30.563 -33.810 9.595 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -29.438 -33.236 11.745 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -30.973 -33.395 12.576 1.00 20.00 H new ATOM 677 N PRO A 36 -33.157 -34.096 9.238 1.00 20.00 N ATOM 678 CA PRO A 36 -34.513 -34.607 9.093 1.00 20.00 C ATOM 679 C PRO A 36 -34.539 -36.120 8.927 1.00 20.00 C ATOM 680 O PRO A 36 -35.145 -36.639 7.989 1.00 20.00 O ATOM 681 CB PRO A 36 -34.994 -33.909 7.824 1.00 20.00 C ATOM 682 CG PRO A 36 -33.767 -33.741 6.991 1.00 20.00 C ATOM 683 CD PRO A 36 -32.592 -33.695 7.938 1.00 20.00 C ATOM 0 HA PRO A 36 -35.135 -34.414 9.967 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -35.745 -34.505 7.306 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -35.452 -32.946 8.052 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -33.663 -34.567 6.287 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -33.823 -32.826 6.402 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -31.800 -34.374 7.622 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -32.157 -32.697 7.984 1.00 20.00 H new ATOM 691 N ARG A 37 -33.869 -36.805 9.850 1.00 20.00 N ATOM 692 CA ARG A 37 -33.772 -38.264 9.852 1.00 20.00 C ATOM 693 C ARG A 37 -32.902 -38.748 8.690 1.00 20.00 C ATOM 694 O ARG A 37 -33.247 -38.567 7.522 1.00 20.00 O ATOM 695 CB ARG A 37 -35.164 -38.904 9.775 1.00 20.00 C ATOM 696 CG ARG A 37 -35.201 -40.371 10.175 1.00 20.00 C ATOM 697 CD ARG A 37 -35.009 -40.545 11.677 1.00 20.00 C ATOM 698 NE ARG A 37 -36.008 -39.800 12.449 1.00 20.00 N ATOM 699 CZ ARG A 37 -36.308 -40.047 13.725 1.00 20.00 C ATOM 700 NH1 ARG A 37 -35.730 -41.057 14.365 1.00 20.00 N ATOM 701 NH2 ARG A 37 -37.196 -39.289 14.359 1.00 20.00 N ATOM 0 H ARG A 37 -33.374 -36.361 10.624 1.00 20.00 H new ATOM 0 HA ARG A 37 -33.304 -38.569 10.788 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -35.844 -38.346 10.419 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -35.540 -38.808 8.756 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -36.154 -40.807 9.876 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -34.421 -40.914 9.642 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -35.071 -41.603 11.930 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -34.011 -40.208 11.956 1.00 20.00 H new ATOM 0 HE ARG A 37 -36.506 -39.044 11.980 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -35.054 -41.647 13.881 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -35.962 -41.242 15.341 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -37.649 -38.517 13.870 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -37.425 -39.479 15.335 1.00 20.00 H new ATOM 715 N PRO A 38 -31.749 -39.360 8.995 1.00 20.00 N ATOM 716 CA PRO A 38 -30.845 -39.895 7.971 1.00 20.00 C ATOM 717 C PRO A 38 -31.397 -41.163 7.323 1.00 20.00 C ATOM 718 O PRO A 38 -30.826 -42.246 7.448 1.00 20.00 O ATOM 719 CB PRO A 38 -29.564 -40.197 8.750 1.00 20.00 C ATOM 720 CG PRO A 38 -30.020 -40.447 10.145 1.00 20.00 C ATOM 721 CD PRO A 38 -31.224 -39.568 10.358 1.00 20.00 C ATOM 0 HA PRO A 38 -30.698 -39.197 7.147 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -29.047 -41.065 8.341 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -28.867 -39.360 8.705 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -30.274 -41.497 10.289 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -29.233 -40.209 10.860 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -31.961 -40.047 11.002 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -30.952 -38.624 10.831 1.00 20.00 H new ATOM 729 N ALA A 39 -32.526 -41.016 6.650 1.00 20.00 N ATOM 730 CA ALA A 39 -33.167 -42.123 5.958 1.00 20.00 C ATOM 731 C ALA A 39 -33.789 -41.646 4.652 1.00 20.00 C ATOM 732 O ALA A 39 -34.530 -42.375 3.992 1.00 20.00 O ATOM 733 CB ALA A 39 -34.223 -42.753 6.850 1.00 20.00 C ATOM 0 H ALA A 39 -33.023 -40.129 6.568 1.00 20.00 H new ATOM 0 HA ALA A 39 -32.412 -42.874 5.724 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -34.697 -43.581 6.323 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -33.755 -43.124 7.762 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -34.975 -42.007 7.106 1.00 20.00 H new ATOM 739 N ILE A 40 -33.466 -40.417 4.282 1.00 20.00 N ATOM 740 CA ILE A 40 -34.034 -39.789 3.101 1.00 20.00 C ATOM 741 C ILE A 40 -33.234 -40.161 1.852 1.00 20.00 C ATOM 742 O ILE A 40 -32.005 -40.039 1.838 1.00 20.00 O ATOM 743 CB ILE A 40 -34.056 -38.252 3.254 1.00 20.00 C ATOM 744 CG1 ILE A 40 -34.812 -37.853 4.523 1.00 20.00 C ATOM 745 CG2 ILE A 40 -34.689 -37.598 2.037 1.00 20.00 C ATOM 746 CD1 ILE A 40 -34.883 -36.360 4.738 1.00 20.00 C ATOM 0 H ILE A 40 -32.805 -39.829 4.790 1.00 20.00 H new ATOM 0 HA ILE A 40 -35.056 -40.152 2.993 1.00 20.00 H new ATOM 0 HB ILE A 40 -33.027 -37.903 3.335 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -35.825 -38.254 4.474 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -34.328 -38.313 5.384 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -34.694 -36.516 2.167 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -34.115 -37.854 1.146 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -35.713 -37.954 1.924 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -35.433 -36.150 5.656 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -33.874 -35.956 4.819 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -35.394 -35.895 3.895 1.00 20.00 H new ATOM 758 N PRO A 41 -33.916 -40.654 0.803 1.00 20.00 N ATOM 759 CA PRO A 41 -33.286 -40.939 -0.489 1.00 20.00 C ATOM 760 C PRO A 41 -32.597 -39.700 -1.055 1.00 20.00 C ATOM 761 O PRO A 41 -33.114 -38.587 -0.950 1.00 20.00 O ATOM 762 CB PRO A 41 -34.457 -41.345 -1.388 1.00 20.00 C ATOM 763 CG PRO A 41 -35.538 -41.775 -0.461 1.00 20.00 C ATOM 764 CD PRO A 41 -35.353 -40.983 0.803 1.00 20.00 C ATOM 0 HA PRO A 41 -32.516 -41.706 -0.410 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -34.782 -40.511 -2.010 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -34.173 -42.153 -2.062 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -36.520 -41.588 -0.896 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -35.476 -42.845 -0.262 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -35.969 -40.084 0.806 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -35.631 -41.563 1.683 1.00 20.00 H new ATOM 772 N HIS A 42 -31.439 -39.901 -1.671 1.00 20.00 N ATOM 773 CA HIS A 42 -30.623 -38.792 -2.154 1.00 20.00 C ATOM 774 C HIS A 42 -31.271 -38.113 -3.356 1.00 20.00 C ATOM 775 O HIS A 42 -31.015 -36.938 -3.622 1.00 20.00 O ATOM 776 CB HIS A 42 -29.204 -39.262 -2.497 1.00 20.00 C ATOM 777 CG HIS A 42 -28.417 -39.699 -1.298 1.00 20.00 C ATOM 778 ND1 HIS A 42 -27.646 -38.839 -0.547 1.00 20.00 N ATOM 779 CD2 HIS A 42 -28.299 -40.913 -0.708 1.00 20.00 C ATOM 780 CE1 HIS A 42 -27.093 -39.502 0.451 1.00 20.00 C ATOM 781 NE2 HIS A 42 -27.474 -40.761 0.378 1.00 20.00 N ATOM 0 H HIS A 42 -31.042 -40.824 -1.849 1.00 20.00 H new ATOM 0 HA HIS A 42 -30.553 -38.059 -1.350 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -29.264 -40.089 -3.205 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -28.672 -38.453 -2.997 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -28.767 -41.830 -1.032 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -26.439 -39.083 1.201 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -27.200 -41.502 1.023 1.00 20.00 H new ATOM 790 N ASP A 43 -32.115 -38.846 -4.074 1.00 20.00 N ATOM 791 CA ASP A 43 -32.890 -38.255 -5.164 1.00 20.00 C ATOM 792 C ASP A 43 -33.996 -37.382 -4.590 1.00 20.00 C ATOM 793 O ASP A 43 -34.340 -36.339 -5.145 1.00 20.00 O ATOM 794 CB ASP A 43 -33.513 -39.324 -6.067 1.00 20.00 C ATOM 795 CG ASP A 43 -32.492 -40.190 -6.773 1.00 20.00 C ATOM 796 OD1 ASP A 43 -31.926 -39.742 -7.794 1.00 20.00 O ATOM 797 OD2 ASP A 43 -32.269 -41.334 -6.328 1.00 20.00 O ATOM 0 H ASP A 43 -32.281 -39.841 -3.925 1.00 20.00 H new ATOM 0 HA ASP A 43 -32.207 -37.657 -5.767 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -34.164 -39.960 -5.467 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -34.142 -38.837 -6.812 1.00 20.00 H new ATOM 802 N GLU A 44 -34.531 -37.817 -3.457 1.00 20.00 N ATOM 803 CA GLU A 44 -35.612 -37.110 -2.788 1.00 20.00 C ATOM 804 C GLU A 44 -35.115 -35.776 -2.243 1.00 20.00 C ATOM 805 O GLU A 44 -35.830 -34.774 -2.267 1.00 20.00 O ATOM 806 CB GLU A 44 -36.170 -37.969 -1.650 1.00 20.00 C ATOM 807 CG GLU A 44 -37.356 -37.350 -0.938 1.00 20.00 C ATOM 808 CD GLU A 44 -38.652 -37.507 -1.705 1.00 20.00 C ATOM 809 OE1 GLU A 44 -38.640 -37.399 -2.949 1.00 20.00 O ATOM 810 OE2 GLU A 44 -39.692 -37.759 -1.059 1.00 20.00 O ATOM 0 H GLU A 44 -34.229 -38.666 -2.979 1.00 20.00 H new ATOM 0 HA GLU A 44 -36.406 -36.916 -3.510 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -36.465 -38.939 -2.051 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -35.378 -38.152 -0.924 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -37.463 -37.809 0.045 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -37.162 -36.290 -0.775 1.00 20.00 H new ATOM 817 N VAL A 45 -33.878 -35.772 -1.760 1.00 20.00 N ATOM 818 CA VAL A 45 -33.258 -34.558 -1.249 1.00 20.00 C ATOM 819 C VAL A 45 -33.199 -33.490 -2.336 1.00 20.00 C ATOM 820 O VAL A 45 -33.535 -32.330 -2.099 1.00 20.00 O ATOM 821 CB VAL A 45 -31.838 -34.828 -0.712 1.00 20.00 C ATOM 822 CG1 VAL A 45 -31.175 -33.542 -0.244 1.00 20.00 C ATOM 823 CG2 VAL A 45 -31.880 -35.842 0.418 1.00 20.00 C ATOM 0 H VAL A 45 -33.284 -36.600 -1.712 1.00 20.00 H new ATOM 0 HA VAL A 45 -33.874 -34.202 -0.423 1.00 20.00 H new ATOM 0 HB VAL A 45 -31.243 -35.238 -1.528 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -30.175 -33.763 0.129 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -31.105 -32.844 -1.079 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -31.769 -33.095 0.553 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -30.869 -36.020 0.785 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -32.498 -35.457 1.229 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -32.303 -36.777 0.052 1.00 20.00 H new ATOM 833 N GLU A 46 -32.805 -33.895 -3.536 1.00 20.00 N ATOM 834 CA GLU A 46 -32.739 -32.977 -4.669 1.00 20.00 C ATOM 835 C GLU A 46 -34.125 -32.413 -4.975 1.00 20.00 C ATOM 836 O GLU A 46 -34.272 -31.236 -5.313 1.00 20.00 O ATOM 837 CB GLU A 46 -32.172 -33.684 -5.905 1.00 20.00 C ATOM 838 CG GLU A 46 -31.984 -32.763 -7.102 1.00 20.00 C ATOM 839 CD GLU A 46 -31.480 -33.496 -8.324 1.00 20.00 C ATOM 840 OE1 GLU A 46 -30.248 -33.613 -8.492 1.00 20.00 O ATOM 841 OE2 GLU A 46 -32.311 -33.966 -9.127 1.00 20.00 O ATOM 0 H GLU A 46 -32.526 -34.852 -3.752 1.00 20.00 H new ATOM 0 HA GLU A 46 -32.074 -32.154 -4.406 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -31.212 -34.133 -5.648 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -32.840 -34.499 -6.185 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -32.933 -32.281 -7.337 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -31.281 -31.972 -6.841 1.00 20.00 H new ATOM 848 N ARG A 47 -35.139 -33.256 -4.825 1.00 20.00 N ATOM 849 CA ARG A 47 -36.516 -32.859 -5.084 1.00 20.00 C ATOM 850 C ARG A 47 -36.977 -31.799 -4.088 1.00 20.00 C ATOM 851 O ARG A 47 -37.545 -30.779 -4.478 1.00 20.00 O ATOM 852 CB ARG A 47 -37.449 -34.071 -5.027 1.00 20.00 C ATOM 853 CG ARG A 47 -37.169 -35.112 -6.100 1.00 20.00 C ATOM 854 CD ARG A 47 -38.171 -36.252 -6.045 1.00 20.00 C ATOM 855 NE ARG A 47 -37.932 -37.243 -7.093 1.00 20.00 N ATOM 856 CZ ARG A 47 -38.879 -38.031 -7.604 1.00 20.00 C ATOM 857 NH1 ARG A 47 -40.132 -37.936 -7.172 1.00 20.00 N ATOM 858 NH2 ARG A 47 -38.574 -38.910 -8.550 1.00 20.00 N ATOM 0 H ARG A 47 -35.032 -34.224 -4.523 1.00 20.00 H new ATOM 0 HA ARG A 47 -36.555 -32.432 -6.086 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -37.361 -34.540 -4.047 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -38.479 -33.730 -5.125 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -37.205 -34.642 -7.083 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -36.161 -35.506 -5.972 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -38.117 -36.736 -5.070 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -39.180 -35.853 -6.147 1.00 20.00 H new ATOM 0 HE ARG A 47 -36.983 -37.338 -7.455 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -40.372 -37.259 -6.448 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -40.854 -38.540 -7.565 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -37.614 -38.984 -8.887 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -39.299 -39.512 -8.940 1.00 20.00 H new ATOM 872 N ARG A 48 -36.720 -32.024 -2.806 1.00 20.00 N ATOM 873 CA ARG A 48 -37.142 -31.075 -1.784 1.00 20.00 C ATOM 874 C ARG A 48 -36.268 -29.818 -1.807 1.00 20.00 C ATOM 875 O ARG A 48 -36.666 -28.765 -1.306 1.00 20.00 O ATOM 876 CB ARG A 48 -37.176 -31.733 -0.391 1.00 20.00 C ATOM 877 CG ARG A 48 -35.860 -32.334 0.084 1.00 20.00 C ATOM 878 CD ARG A 48 -34.938 -31.285 0.683 1.00 20.00 C ATOM 879 NE ARG A 48 -35.601 -30.496 1.722 1.00 20.00 N ATOM 880 CZ ARG A 48 -35.207 -29.278 2.090 1.00 20.00 C ATOM 881 NH1 ARG A 48 -34.135 -28.727 1.535 1.00 20.00 N ATOM 882 NH2 ARG A 48 -35.882 -28.614 3.017 1.00 20.00 N ATOM 0 H ARG A 48 -36.228 -32.844 -2.452 1.00 20.00 H new ATOM 0 HA ARG A 48 -38.161 -30.762 -2.012 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -37.498 -30.987 0.336 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -37.932 -32.518 -0.398 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -36.061 -33.106 0.827 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -35.360 -32.820 -0.754 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -34.060 -31.774 1.105 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -34.585 -30.621 -0.106 1.00 20.00 H new ATOM 0 HE ARG A 48 -36.411 -30.902 2.191 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -33.610 -29.236 0.824 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -33.836 -27.794 1.819 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -36.704 -29.036 3.449 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -35.580 -27.681 3.298 1.00 20.00 H new ATOM 896 N MET A 49 -35.081 -29.933 -2.399 1.00 20.00 N ATOM 897 CA MET A 49 -34.231 -28.770 -2.644 1.00 20.00 C ATOM 898 C MET A 49 -34.868 -27.873 -3.697 1.00 20.00 C ATOM 899 O MET A 49 -34.826 -26.646 -3.596 1.00 20.00 O ATOM 900 CB MET A 49 -32.837 -29.202 -3.104 1.00 20.00 C ATOM 901 CG MET A 49 -31.759 -29.052 -2.042 1.00 20.00 C ATOM 902 SD MET A 49 -32.162 -29.894 -0.502 1.00 20.00 S ATOM 903 CE MET A 49 -30.711 -29.516 0.476 1.00 20.00 C ATOM 0 H MET A 49 -34.687 -30.818 -2.717 1.00 20.00 H new ATOM 0 HA MET A 49 -34.130 -28.216 -1.711 1.00 20.00 H new ATOM 0 HB2 MET A 49 -32.877 -30.244 -3.421 1.00 20.00 H new ATOM 0 HB3 MET A 49 -32.556 -28.614 -3.978 1.00 20.00 H new ATOM 0 HG2 MET A 49 -30.819 -29.445 -2.429 1.00 20.00 H new ATOM 0 HG3 MET A 49 -31.602 -27.993 -1.839 1.00 20.00 H new ATOM 0 HE1 MET A 49 -30.809 -29.970 1.462 1.00 20.00 H new ATOM 0 HE2 MET A 49 -29.825 -29.913 -0.020 1.00 20.00 H new ATOM 0 HE3 MET A 49 -30.615 -28.435 0.582 1.00 20.00 H new ATOM 913 N ALA A 50 -35.466 -28.499 -4.707 1.00 20.00 N ATOM 914 CA ALA A 50 -36.183 -27.770 -5.743 1.00 20.00 C ATOM 915 C ALA A 50 -37.355 -27.011 -5.138 1.00 20.00 C ATOM 916 O ALA A 50 -37.639 -25.873 -5.519 1.00 20.00 O ATOM 917 CB ALA A 50 -36.665 -28.725 -6.820 1.00 20.00 C ATOM 0 H ALA A 50 -35.467 -29.512 -4.828 1.00 20.00 H new ATOM 0 HA ALA A 50 -35.504 -27.050 -6.199 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -37.200 -28.167 -7.589 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -35.809 -29.230 -7.268 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -37.333 -29.465 -6.378 1.00 20.00 H new ATOM 923 N GLU A 51 -38.013 -27.650 -4.177 1.00 20.00 N ATOM 924 CA GLU A 51 -39.115 -27.031 -3.454 1.00 20.00 C ATOM 925 C GLU A 51 -38.617 -25.821 -2.672 1.00 20.00 C ATOM 926 O GLU A 51 -39.263 -24.778 -2.645 1.00 20.00 O ATOM 927 CB GLU A 51 -39.765 -28.035 -2.500 1.00 20.00 C ATOM 928 CG GLU A 51 -40.412 -29.226 -3.192 1.00 20.00 C ATOM 929 CD GLU A 51 -41.023 -30.204 -2.209 1.00 20.00 C ATOM 930 OE1 GLU A 51 -42.174 -29.982 -1.773 1.00 20.00 O ATOM 931 OE2 GLU A 51 -40.354 -31.200 -1.859 1.00 20.00 O ATOM 0 H GLU A 51 -37.800 -28.602 -3.880 1.00 20.00 H new ATOM 0 HA GLU A 51 -39.861 -26.705 -4.179 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -39.009 -28.400 -1.805 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -40.521 -27.519 -1.907 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -41.184 -28.871 -3.874 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -39.665 -29.741 -3.796 1.00 20.00 H new ATOM 938 N ARG A 52 -37.453 -25.975 -2.047 1.00 20.00 N ATOM 939 CA ARG A 52 -36.818 -24.896 -1.296 1.00 20.00 C ATOM 940 C ARG A 52 -36.591 -23.674 -2.184 1.00 20.00 C ATOM 941 O ARG A 52 -36.881 -22.543 -1.788 1.00 20.00 O ATOM 942 CB ARG A 52 -35.489 -25.389 -0.710 1.00 20.00 C ATOM 943 CG ARG A 52 -34.544 -24.282 -0.263 1.00 20.00 C ATOM 944 CD ARG A 52 -35.097 -23.480 0.906 1.00 20.00 C ATOM 945 NE ARG A 52 -34.189 -22.401 1.289 1.00 20.00 N ATOM 946 CZ ARG A 52 -34.486 -21.440 2.165 1.00 20.00 C ATOM 947 NH1 ARG A 52 -35.678 -21.413 2.753 1.00 20.00 N ATOM 948 NH2 ARG A 52 -33.587 -20.505 2.451 1.00 20.00 N ATOM 0 H ARG A 52 -36.925 -26.848 -2.047 1.00 20.00 H new ATOM 0 HA ARG A 52 -37.479 -24.599 -0.482 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -35.700 -26.035 0.142 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -34.983 -26.001 -1.456 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -33.587 -24.719 0.021 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -34.353 -23.612 -1.101 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -36.067 -23.063 0.636 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -35.260 -24.140 1.758 1.00 20.00 H new ATOM 0 HE ARG A 52 -33.265 -22.381 0.857 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -36.371 -22.129 2.535 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -35.900 -20.676 3.422 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -32.672 -20.523 2.001 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -33.812 -19.769 3.121 1.00 20.00 H new ATOM 962 N PHE A 53 -36.088 -23.911 -3.387 1.00 20.00 N ATOM 963 CA PHE A 53 -35.823 -22.835 -4.333 1.00 20.00 C ATOM 964 C PHE A 53 -37.131 -22.160 -4.740 1.00 20.00 C ATOM 965 O PHE A 53 -37.200 -20.938 -4.888 1.00 20.00 O ATOM 966 CB PHE A 53 -35.095 -23.387 -5.565 1.00 20.00 C ATOM 967 CG PHE A 53 -34.533 -22.326 -6.471 1.00 20.00 C ATOM 968 CD1 PHE A 53 -35.310 -21.757 -7.467 1.00 20.00 C ATOM 969 CD2 PHE A 53 -33.222 -21.901 -6.325 1.00 20.00 C ATOM 970 CE1 PHE A 53 -34.792 -20.784 -8.299 1.00 20.00 C ATOM 971 CE2 PHE A 53 -32.697 -20.929 -7.154 1.00 20.00 C ATOM 972 CZ PHE A 53 -33.484 -20.370 -8.142 1.00 20.00 C ATOM 0 H PHE A 53 -35.854 -24.842 -3.732 1.00 20.00 H new ATOM 0 HA PHE A 53 -35.184 -22.091 -3.857 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -34.283 -24.035 -5.234 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -35.786 -24.008 -6.135 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -36.333 -22.078 -7.594 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -32.603 -22.335 -5.554 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -35.409 -20.348 -9.071 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -31.674 -20.607 -7.030 1.00 20.00 H new ATOM 0 HZ PHE A 53 -33.076 -19.609 -8.791 1.00 20.00 H new ATOM 982 N ALA A 54 -38.173 -22.966 -4.893 1.00 20.00 N ATOM 983 CA ALA A 54 -39.486 -22.468 -5.272 1.00 20.00 C ATOM 984 C ALA A 54 -40.085 -21.597 -4.170 1.00 20.00 C ATOM 985 O ALA A 54 -40.708 -20.571 -4.447 1.00 20.00 O ATOM 986 CB ALA A 54 -40.408 -23.633 -5.593 1.00 20.00 C ATOM 0 H ALA A 54 -38.132 -23.976 -4.759 1.00 20.00 H new ATOM 0 HA ALA A 54 -39.375 -21.847 -6.161 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -41.390 -23.253 -5.876 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -39.991 -24.211 -6.418 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -40.506 -24.272 -4.716 1.00 20.00 H new ATOM 992 N LYS A 55 -39.879 -22.008 -2.920 1.00 20.00 N ATOM 993 CA LYS A 55 -40.382 -21.268 -1.765 1.00 20.00 C ATOM 994 C LYS A 55 -39.795 -19.863 -1.719 1.00 20.00 C ATOM 995 O LYS A 55 -40.451 -18.921 -1.274 1.00 20.00 O ATOM 996 CB LYS A 55 -40.042 -22.001 -0.465 1.00 20.00 C ATOM 997 CG LYS A 55 -40.639 -23.396 -0.359 1.00 20.00 C ATOM 998 CD LYS A 55 -40.170 -24.100 0.901 1.00 20.00 C ATOM 999 CE LYS A 55 -40.641 -25.544 0.948 1.00 20.00 C ATOM 1000 NZ LYS A 55 -40.130 -26.248 2.155 1.00 20.00 N ATOM 0 H LYS A 55 -39.364 -22.855 -2.681 1.00 20.00 H new ATOM 0 HA LYS A 55 -41.465 -21.196 -1.866 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -38.958 -22.075 -0.376 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -40.391 -21.404 0.377 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -41.727 -23.330 -0.358 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -40.356 -23.983 -1.233 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -39.082 -24.071 0.950 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -40.543 -23.567 1.776 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -41.731 -25.572 0.944 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -40.305 -26.066 0.052 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -40.471 -27.231 2.154 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -39.090 -26.242 2.146 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -40.471 -25.764 3.010 1.00 20.00 H new ATOM 1014 N MET A 56 -38.563 -19.730 -2.196 1.00 20.00 N ATOM 1015 CA MET A 56 -37.860 -18.454 -2.173 1.00 20.00 C ATOM 1016 C MET A 56 -38.583 -17.414 -3.025 1.00 20.00 C ATOM 1017 O MET A 56 -38.676 -16.248 -2.644 1.00 20.00 O ATOM 1018 CB MET A 56 -36.418 -18.636 -2.660 1.00 20.00 C ATOM 1019 CG MET A 56 -35.616 -17.341 -2.723 1.00 20.00 C ATOM 1020 SD MET A 56 -33.919 -17.597 -3.281 1.00 20.00 S ATOM 1021 CE MET A 56 -34.190 -18.303 -4.904 1.00 20.00 C ATOM 0 H MET A 56 -38.028 -20.496 -2.606 1.00 20.00 H new ATOM 0 HA MET A 56 -37.842 -18.093 -1.145 1.00 20.00 H new ATOM 0 HB2 MET A 56 -35.908 -19.335 -1.998 1.00 20.00 H new ATOM 0 HB3 MET A 56 -36.435 -19.089 -3.651 1.00 20.00 H new ATOM 0 HG2 MET A 56 -36.114 -16.643 -3.396 1.00 20.00 H new ATOM 0 HG3 MET A 56 -35.603 -16.878 -1.736 1.00 20.00 H new ATOM 0 HE1 MET A 56 -33.283 -18.205 -5.500 1.00 20.00 H new ATOM 0 HE2 MET A 56 -34.446 -19.358 -4.804 1.00 20.00 H new ATOM 0 HE3 MET A 56 -35.007 -17.777 -5.398 1.00 20.00 H new ATOM 1031 N ARG A 57 -39.119 -17.841 -4.162 1.00 20.00 N ATOM 1032 CA ARG A 57 -39.823 -16.927 -5.053 1.00 20.00 C ATOM 1033 C ARG A 57 -41.329 -16.977 -4.804 1.00 20.00 C ATOM 1034 O ARG A 57 -42.115 -16.418 -5.569 1.00 20.00 O ATOM 1035 CB ARG A 57 -39.482 -17.227 -6.525 1.00 20.00 C ATOM 1036 CG ARG A 57 -39.799 -18.647 -6.987 1.00 20.00 C ATOM 1037 CD ARG A 57 -41.252 -18.800 -7.422 1.00 20.00 C ATOM 1038 NE ARG A 57 -41.588 -17.911 -8.535 1.00 20.00 N ATOM 1039 CZ ARG A 57 -42.815 -17.772 -9.035 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -43.822 -18.487 -8.550 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -43.032 -16.924 -10.031 1.00 20.00 N ATOM 0 H ARG A 57 -39.080 -18.807 -4.487 1.00 20.00 H new ATOM 0 HA ARG A 57 -39.488 -15.912 -4.838 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -40.026 -16.526 -7.158 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -38.420 -17.039 -6.681 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -39.143 -18.912 -7.816 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -39.588 -19.346 -6.178 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -41.436 -19.834 -7.716 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -41.908 -18.587 -6.578 1.00 20.00 H new ATOM 0 HE ARG A 57 -40.836 -17.364 -8.954 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -43.659 -19.148 -7.790 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -44.759 -18.376 -8.937 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -42.260 -16.379 -10.414 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -43.971 -16.817 -10.414 1.00 20.00 H new ATOM 1055 N LYS A 58 -41.704 -17.652 -3.716 1.00 20.00 N ATOM 1056 CA LYS A 58 -43.100 -17.812 -3.308 1.00 20.00 C ATOM 1057 C LYS A 58 -43.877 -18.645 -4.325 1.00 20.00 C ATOM 1058 O LYS A 58 -44.404 -18.128 -5.311 1.00 20.00 O ATOM 1059 CB LYS A 58 -43.767 -16.450 -3.089 1.00 20.00 C ATOM 1060 CG LYS A 58 -45.166 -16.532 -2.483 1.00 20.00 C ATOM 1061 CD LYS A 58 -45.177 -17.286 -1.154 1.00 20.00 C ATOM 1062 CE LYS A 58 -44.237 -16.660 -0.130 1.00 20.00 C ATOM 1063 NZ LYS A 58 -44.600 -15.254 0.186 1.00 20.00 N ATOM 0 H LYS A 58 -41.041 -18.107 -3.088 1.00 20.00 H new ATOM 0 HA LYS A 58 -43.112 -18.348 -2.359 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -43.135 -15.848 -2.436 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -43.826 -15.929 -4.044 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -45.553 -15.525 -2.330 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -45.836 -17.028 -3.186 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -46.191 -17.299 -0.754 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -44.888 -18.323 -1.324 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -44.255 -17.252 0.785 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -43.216 -16.692 -0.510 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -43.986 -14.900 0.947 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -44.476 -14.665 -0.662 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -45.592 -15.213 0.494 1.00 20.00 H new ATOM 1077 N GLU A 59 -43.941 -19.939 -4.074 1.00 20.00 N ATOM 1078 CA GLU A 59 -44.619 -20.864 -4.964 1.00 20.00 C ATOM 1079 C GLU A 59 -45.776 -21.536 -4.231 1.00 20.00 C ATOM 1080 O GLU A 59 -45.744 -21.677 -3.005 1.00 20.00 O ATOM 1081 CB GLU A 59 -43.620 -21.909 -5.468 1.00 20.00 C ATOM 1082 CG GLU A 59 -44.181 -22.849 -6.520 1.00 20.00 C ATOM 1083 CD GLU A 59 -44.725 -22.111 -7.723 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -43.922 -21.536 -8.488 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -45.959 -22.090 -7.900 1.00 20.00 O ATOM 0 H GLU A 59 -43.527 -20.378 -3.252 1.00 20.00 H new ATOM 0 HA GLU A 59 -45.023 -20.321 -5.818 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -42.752 -21.396 -5.881 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -43.269 -22.498 -4.621 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -43.399 -23.537 -6.842 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -44.974 -23.452 -6.078 1.00 20.00 H new ATOM 1092 N ARG A 60 -46.799 -21.933 -4.976 1.00 20.00 N ATOM 1093 CA ARG A 60 -47.951 -22.611 -4.394 1.00 20.00 C ATOM 1094 C ARG A 60 -47.709 -24.114 -4.362 1.00 20.00 C ATOM 1095 O ARG A 60 -47.247 -24.695 -5.343 1.00 20.00 O ATOM 1096 CB ARG A 60 -49.224 -22.303 -5.190 1.00 20.00 C ATOM 1097 CG ARG A 60 -49.610 -20.830 -5.200 1.00 20.00 C ATOM 1098 CD ARG A 60 -49.855 -20.301 -3.792 1.00 20.00 C ATOM 1099 NE ARG A 60 -50.863 -21.084 -3.075 1.00 20.00 N ATOM 1100 CZ ARG A 60 -51.138 -20.940 -1.778 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -50.502 -20.028 -1.053 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -52.058 -21.706 -1.208 1.00 20.00 N ATOM 0 H ARG A 60 -46.855 -21.797 -5.985 1.00 20.00 H new ATOM 0 HA ARG A 60 -48.085 -22.247 -3.376 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -49.087 -22.639 -6.218 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -50.049 -22.881 -4.773 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -48.818 -20.250 -5.674 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -50.509 -20.694 -5.801 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -48.920 -20.316 -3.232 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -50.177 -19.261 -3.847 1.00 20.00 H new ATOM 0 HE ARG A 60 -51.388 -21.783 -3.600 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -49.798 -19.432 -1.487 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -50.718 -19.924 -0.062 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -52.554 -22.404 -1.761 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -52.269 -21.597 -0.216 1.00 20.00 H new ATOM 1116 N SER A 61 -48.014 -24.733 -3.234 1.00 20.00 N ATOM 1117 CA SER A 61 -47.811 -26.162 -3.069 1.00 20.00 C ATOM 1118 C SER A 61 -48.920 -26.943 -3.772 1.00 20.00 C ATOM 1119 O SER A 61 -50.068 -26.492 -3.814 1.00 20.00 O ATOM 1120 CB SER A 61 -47.764 -26.510 -1.578 1.00 20.00 C ATOM 1121 OG SER A 61 -47.592 -27.902 -1.371 1.00 20.00 O ATOM 0 H SER A 61 -48.405 -24.266 -2.416 1.00 20.00 H new ATOM 0 HA SER A 61 -46.861 -26.441 -3.524 1.00 20.00 H new ATOM 0 HB2 SER A 61 -46.947 -25.967 -1.103 1.00 20.00 H new ATOM 0 HB3 SER A 61 -48.686 -26.182 -1.098 1.00 20.00 H new ATOM 0 HG SER A 61 -47.565 -28.089 -0.409 1.00 20.00 H new ATOM 1127 N LYS A 62 -48.560 -28.101 -4.338 1.00 20.00 N ATOM 1128 CA LYS A 62 -49.496 -28.954 -5.069 1.00 20.00 C ATOM 1129 C LYS A 62 -49.970 -28.240 -6.339 1.00 20.00 C ATOM 1130 O LYS A 62 -51.055 -28.498 -6.865 1.00 20.00 O ATOM 1131 CB LYS A 62 -50.678 -29.357 -4.168 1.00 20.00 C ATOM 1132 CG LYS A 62 -51.553 -30.464 -4.738 1.00 20.00 C ATOM 1133 CD LYS A 62 -52.614 -30.898 -3.739 1.00 20.00 C ATOM 1134 CE LYS A 62 -53.535 -31.962 -4.318 1.00 20.00 C ATOM 1135 NZ LYS A 62 -54.309 -31.457 -5.482 1.00 20.00 N ATOM 0 H LYS A 62 -47.610 -28.471 -4.300 1.00 20.00 H new ATOM 0 HA LYS A 62 -48.988 -29.871 -5.367 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -50.290 -29.679 -3.202 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -51.297 -28.478 -3.986 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -52.032 -30.117 -5.653 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -50.933 -31.319 -5.007 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -52.131 -31.285 -2.841 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -53.204 -30.033 -3.436 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -52.944 -32.826 -4.623 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -54.224 -32.304 -3.546 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -55.073 -32.126 -5.707 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -54.718 -30.529 -5.251 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -53.678 -31.363 -6.304 1.00 20.00 H new ATOM 1149 N GLN A 63 -49.129 -27.347 -6.836 1.00 20.00 N ATOM 1150 CA GLN A 63 -49.440 -26.574 -8.026 1.00 20.00 C ATOM 1151 C GLN A 63 -48.427 -26.888 -9.121 1.00 20.00 C ATOM 1152 O GLN A 63 -48.632 -27.884 -9.846 1.00 20.00 O ATOM 1153 CB GLN A 63 -49.438 -25.074 -7.697 1.00 20.00 C ATOM 1154 CG GLN A 63 -49.786 -24.168 -8.871 1.00 20.00 C ATOM 1155 CD GLN A 63 -51.177 -24.415 -9.426 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -52.088 -24.826 -8.706 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -51.349 -24.160 -10.714 1.00 20.00 N ATOM 1158 OXT GLN A 63 -47.424 -26.156 -9.244 1.00 20.00 O ATOM 0 H GLN A 63 -48.217 -27.139 -6.428 1.00 20.00 H new ATOM 0 HA GLN A 63 -50.434 -26.844 -8.382 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -50.148 -24.891 -6.891 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -48.452 -24.799 -7.322 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -49.708 -23.128 -8.554 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -49.054 -24.316 -9.665 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -50.568 -23.821 -11.275 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -52.263 -24.303 -11.145 1.00 20.00 H new TER 1167 GLN A 63