USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= 1.79 K(o=2.1,f=-1.2) USER MOD Set 1.2: A 22 ASN : amide:sc= 0.267 K(o=2.1,f=0.084) USER MOD Set 2.1: A 6 SER OG : rot 3:sc= 1.08 USER MOD Set 2.2: A 56 MET CE :methyl 139:sc= -1.4 (180deg=-2.27) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 8 MET CE :methyl 158:sc= 0 (180deg=-0.326) 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 153:sc= 0 (180deg=-0.589) 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 180:sc= 0.00536 USER MOD Single : A 17 GLN : amide:sc= -1.38! C(o=-1.4!,f=-6!) USER MOD Single : A 20 SER OG : rot 49:sc= 1.22 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0713 (180deg=-0.353) 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= -0.049 X(o=-0.049,f=-0.051) USER MOD Single : A 49 MET CE :methyl -163:sc= -0.0978 (180deg=-0.524) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc=-0.00974 (180deg=-0.179) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 75:sc= 1.25 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc=-0.00134 (180deg=-0.1) USER MOD Single : A 63 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -52.316 26.243 21.828 1.00 20.00 N ATOM 2 CA MET A -7 -50.992 25.784 22.298 1.00 20.00 C ATOM 3 C MET A -7 -51.119 24.395 22.905 1.00 20.00 C ATOM 4 O MET A -7 -51.711 24.224 23.975 1.00 20.00 O ATOM 5 CB MET A -7 -50.429 26.760 23.335 1.00 20.00 C ATOM 6 CG MET A -7 -48.958 26.541 23.646 1.00 20.00 C ATOM 7 SD MET A -7 -47.906 26.776 22.202 1.00 20.00 S ATOM 8 CE MET A -7 -46.280 26.622 22.937 1.00 20.00 C ATOM 0 H1 MET A -7 -52.227 27.193 21.413 1.00 20.00 H new ATOM 0 H2 MET A -7 -52.677 25.584 21.109 1.00 20.00 H new ATOM 0 H3 MET A -7 -52.977 26.276 22.630 1.00 20.00 H new ATOM 0 HA MET A -7 -50.308 25.745 21.450 1.00 20.00 H new ATOM 0 HB2 MET A -7 -50.567 27.779 22.974 1.00 20.00 H new ATOM 0 HB3 MET A -7 -51.004 26.668 24.257 1.00 20.00 H new ATOM 0 HG2 MET A -7 -48.650 27.230 24.432 1.00 20.00 H new ATOM 0 HG3 MET A -7 -48.818 25.532 24.033 1.00 20.00 H new ATOM 0 HE1 MET A -7 -45.573 26.268 22.186 1.00 20.00 H new ATOM 0 HE2 MET A -7 -45.956 27.593 23.311 1.00 20.00 H new ATOM 0 HE3 MET A -7 -46.319 25.911 23.762 1.00 20.00 H new ATOM 20 N ASP A -6 -50.586 23.401 22.213 1.00 20.00 N ATOM 21 CA ASP A -6 -50.673 22.022 22.673 1.00 20.00 C ATOM 22 C ASP A -6 -49.464 21.671 23.519 1.00 20.00 C ATOM 23 O ASP A -6 -48.375 22.214 23.324 1.00 20.00 O ATOM 24 CB ASP A -6 -50.780 21.054 21.491 1.00 20.00 C ATOM 25 CG ASP A -6 -52.054 21.248 20.692 1.00 20.00 C ATOM 26 OD1 ASP A -6 -53.136 20.852 21.176 1.00 20.00 O ATOM 27 OD2 ASP A -6 -51.979 21.796 19.575 1.00 20.00 O ATOM 0 H ASP A -6 -50.088 23.522 21.331 1.00 20.00 H new ATOM 0 HA ASP A -6 -51.574 21.926 23.279 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -49.920 21.191 20.835 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -50.740 20.029 21.860 1.00 20.00 H new ATOM 32 N TYR A -5 -49.656 20.765 24.462 1.00 20.00 N ATOM 33 CA TYR A -5 -48.586 20.364 25.360 1.00 20.00 C ATOM 34 C TYR A -5 -47.920 19.103 24.832 1.00 20.00 C ATOM 35 O TYR A -5 -48.589 18.239 24.264 1.00 20.00 O ATOM 36 CB TYR A -5 -49.126 20.145 26.775 1.00 20.00 C ATOM 37 CG TYR A -5 -49.847 21.357 27.325 1.00 20.00 C ATOM 38 CD1 TYR A -5 -49.177 22.561 27.510 1.00 20.00 C ATOM 39 CD2 TYR A -5 -51.200 21.304 27.638 1.00 20.00 C ATOM 40 CE1 TYR A -5 -49.833 23.674 27.997 1.00 20.00 C ATOM 41 CE2 TYR A -5 -51.862 22.416 28.122 1.00 20.00 C ATOM 42 CZ TYR A -5 -51.174 23.598 28.299 1.00 20.00 C ATOM 43 OH TYR A -5 -51.829 24.709 28.776 1.00 20.00 O ATOM 0 H TYR A -5 -50.545 20.292 24.626 1.00 20.00 H new ATOM 0 HA TYR A -5 -47.842 21.159 25.406 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -49.807 19.294 26.771 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -48.300 19.888 27.438 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -48.126 22.627 27.269 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -51.742 20.380 27.501 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -49.296 24.600 28.140 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -52.914 22.360 28.361 1.00 20.00 H new ATOM 0 HH TYR A -5 -52.770 24.489 28.939 1.00 20.00 H new ATOM 53 N LYS A -4 -46.602 19.021 25.003 1.00 20.00 N ATOM 54 CA LYS A -4 -45.795 17.932 24.444 1.00 20.00 C ATOM 55 C LYS A -4 -45.848 17.949 22.918 1.00 20.00 C ATOM 56 O LYS A -4 -45.602 16.938 22.261 1.00 20.00 O ATOM 57 CB LYS A -4 -46.239 16.565 24.977 1.00 20.00 C ATOM 58 CG LYS A -4 -45.970 16.375 26.461 1.00 20.00 C ATOM 59 CD LYS A -4 -46.254 14.951 26.902 1.00 20.00 C ATOM 60 CE LYS A -4 -45.954 14.757 28.378 1.00 20.00 C ATOM 61 NZ LYS A -4 -46.124 13.344 28.800 1.00 20.00 N ATOM 0 H LYS A -4 -46.062 19.705 25.532 1.00 20.00 H new ATOM 0 HA LYS A -4 -44.765 18.094 24.762 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -47.306 16.440 24.791 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -45.724 15.782 24.420 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -44.931 16.623 26.678 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -46.589 17.065 27.035 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -47.299 14.710 26.707 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -45.652 14.259 26.313 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -44.933 15.077 28.585 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -46.613 15.393 28.968 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -45.909 13.256 29.814 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -47.105 13.046 28.627 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -45.477 12.739 28.256 1.00 20.00 H new ATOM 75 N ASP A -3 -46.155 19.116 22.365 1.00 20.00 N ATOM 76 CA ASP A -3 -46.258 19.284 20.923 1.00 20.00 C ATOM 77 C ASP A -3 -46.134 20.762 20.566 1.00 20.00 C ATOM 78 O ASP A -3 -46.979 21.332 19.876 1.00 20.00 O ATOM 79 CB ASP A -3 -47.586 18.714 20.409 1.00 20.00 C ATOM 80 CG ASP A -3 -47.648 18.655 18.896 1.00 20.00 C ATOM 81 OD1 ASP A -3 -46.784 17.986 18.289 1.00 20.00 O ATOM 82 OD2 ASP A -3 -48.574 19.256 18.311 1.00 20.00 O ATOM 0 H ASP A -3 -46.338 19.965 22.899 1.00 20.00 H new ATOM 0 HA ASP A -3 -45.447 18.736 20.444 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -47.728 17.712 20.814 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -48.408 19.327 20.779 1.00 20.00 H new ATOM 87 N ASP A -2 -45.080 21.387 21.071 1.00 20.00 N ATOM 88 CA ASP A -2 -44.833 22.799 20.803 1.00 20.00 C ATOM 89 C ASP A -2 -44.446 22.986 19.347 1.00 20.00 C ATOM 90 O ASP A -2 -44.968 23.859 18.651 1.00 20.00 O ATOM 91 CB ASP A -2 -43.718 23.342 21.703 1.00 20.00 C ATOM 92 CG ASP A -2 -43.999 23.137 23.178 1.00 20.00 C ATOM 93 OD1 ASP A -2 -43.675 22.050 23.703 1.00 20.00 O ATOM 94 OD2 ASP A -2 -44.543 24.056 23.822 1.00 20.00 O ATOM 0 H ASP A -2 -44.383 20.941 21.667 1.00 20.00 H new ATOM 0 HA ASP A -2 -45.748 23.351 21.015 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -42.779 22.852 21.446 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -43.586 24.406 21.508 1.00 20.00 H new ATOM 99 N ASP A -1 -43.516 22.136 18.915 1.00 20.00 N ATOM 100 CA ASP A -1 -43.054 22.070 17.527 1.00 20.00 C ATOM 101 C ASP A -1 -42.362 23.365 17.120 1.00 20.00 C ATOM 102 O ASP A -1 -42.224 23.668 15.938 1.00 20.00 O ATOM 103 CB ASP A -1 -44.212 21.763 16.574 1.00 20.00 C ATOM 104 CG ASP A -1 -43.797 20.853 15.435 1.00 20.00 C ATOM 105 OD1 ASP A -1 -43.029 21.290 14.555 1.00 20.00 O ATOM 106 OD2 ASP A -1 -44.231 19.682 15.420 1.00 20.00 O ATOM 0 H ASP A -1 -43.055 21.463 19.527 1.00 20.00 H new ATOM 0 HA ASP A -1 -42.331 21.257 17.459 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -45.024 21.296 17.132 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -44.601 22.696 16.167 1.00 20.00 H new ATOM 111 N ASP A 0 -41.904 24.111 18.117 1.00 20.00 N ATOM 112 CA ASP A 0 -41.234 25.384 17.886 1.00 20.00 C ATOM 113 C ASP A 0 -39.851 25.151 17.297 1.00 20.00 C ATOM 114 O ASP A 0 -39.272 26.038 16.671 1.00 20.00 O ATOM 115 CB ASP A 0 -41.109 26.178 19.190 1.00 20.00 C ATOM 116 CG ASP A 0 -40.147 25.539 20.174 1.00 20.00 C ATOM 117 OD1 ASP A 0 -40.588 24.692 20.981 1.00 20.00 O ATOM 118 OD2 ASP A 0 -38.946 25.884 20.152 1.00 20.00 O ATOM 0 H ASP A 0 -41.985 23.854 19.101 1.00 20.00 H new ATOM 0 HA ASP A 0 -41.835 25.959 17.182 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -40.772 27.190 18.964 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -42.092 26.265 19.653 1.00 20.00 H new ATOM 123 N LYS A 1 -39.335 23.947 17.501 1.00 20.00 N ATOM 124 CA LYS A 1 -38.024 23.574 16.992 1.00 20.00 C ATOM 125 C LYS A 1 -38.025 23.553 15.466 1.00 20.00 C ATOM 126 O LYS A 1 -37.024 23.910 14.844 1.00 20.00 O ATOM 127 CB LYS A 1 -37.615 22.205 17.551 1.00 20.00 C ATOM 128 CG LYS A 1 -36.265 21.713 17.050 1.00 20.00 C ATOM 129 CD LYS A 1 -35.774 20.506 17.840 1.00 20.00 C ATOM 130 CE LYS A 1 -36.726 19.324 17.733 1.00 20.00 C ATOM 131 NZ LYS A 1 -36.275 18.177 18.563 1.00 20.00 N ATOM 0 H LYS A 1 -39.809 23.207 18.019 1.00 20.00 H new ATOM 0 HA LYS A 1 -37.297 24.318 17.319 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -37.589 22.261 18.639 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -38.378 21.473 17.287 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -36.343 21.450 15.995 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -35.534 22.518 17.125 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -34.790 20.212 17.476 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -35.657 20.783 18.888 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -37.723 19.631 18.048 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -36.802 19.012 16.692 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -36.949 17.391 18.464 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -35.334 17.868 18.246 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -36.226 18.468 19.560 1.00 20.00 H new ATOM 145 N ASN A 2 -39.153 23.166 14.871 1.00 20.00 N ATOM 146 CA ASN A 2 -39.285 23.108 13.416 1.00 20.00 C ATOM 147 C ASN A 2 -38.122 22.340 12.799 1.00 20.00 C ATOM 148 O ASN A 2 -37.342 22.888 12.017 1.00 20.00 O ATOM 149 CB ASN A 2 -39.369 24.520 12.822 1.00 20.00 C ATOM 150 CG ASN A 2 -40.726 25.163 13.044 1.00 20.00 C ATOM 151 OD1 ASN A 2 -41.634 25.017 12.225 1.00 20.00 O ATOM 152 ND2 ASN A 2 -40.877 25.882 14.142 1.00 20.00 N ATOM 0 H ASN A 2 -39.993 22.887 15.378 1.00 20.00 H new ATOM 0 HA ASN A 2 -40.209 22.580 13.181 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -38.596 25.146 13.269 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -39.163 24.474 11.753 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -41.769 26.339 14.334 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -40.102 25.980 14.798 1.00 20.00 H new ATOM 159 N ARG A 3 -38.018 21.061 13.147 1.00 20.00 N ATOM 160 CA ARG A 3 -36.868 20.253 12.749 1.00 20.00 C ATOM 161 C ARG A 3 -36.978 19.777 11.300 1.00 20.00 C ATOM 162 O ARG A 3 -36.225 18.905 10.872 1.00 20.00 O ATOM 163 CB ARG A 3 -36.683 19.047 13.691 1.00 20.00 C ATOM 164 CG ARG A 3 -37.665 17.896 13.477 1.00 20.00 C ATOM 165 CD ARG A 3 -39.059 18.215 13.995 1.00 20.00 C ATOM 166 NE ARG A 3 -39.946 17.053 13.930 1.00 20.00 N ATOM 167 CZ ARG A 3 -41.246 17.090 14.228 1.00 20.00 C ATOM 168 NH1 ARG A 3 -41.815 18.235 14.576 1.00 20.00 N ATOM 169 NH2 ARG A 3 -41.978 15.983 14.169 1.00 20.00 N ATOM 0 H ARG A 3 -38.713 20.562 13.702 1.00 20.00 H new ATOM 0 HA ARG A 3 -35.990 20.895 12.825 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -35.669 18.665 13.571 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -36.773 19.394 14.720 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -37.721 17.663 12.414 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -37.290 17.004 13.979 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -38.992 18.563 15.026 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -39.486 19.030 13.410 1.00 20.00 H new ATOM 0 HE ARG A 3 -39.546 16.161 13.639 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -41.259 19.089 14.616 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -42.809 18.262 14.804 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -41.547 15.100 13.895 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -42.971 16.016 14.398 1.00 20.00 H new ATOM 183 N ALA A 4 -37.902 20.363 10.549 1.00 20.00 N ATOM 184 CA ALA A 4 -38.078 20.020 9.143 1.00 20.00 C ATOM 185 C ALA A 4 -36.814 20.330 8.352 1.00 20.00 C ATOM 186 O ALA A 4 -36.500 19.660 7.369 1.00 20.00 O ATOM 187 CB ALA A 4 -39.261 20.769 8.554 1.00 20.00 C ATOM 0 H ALA A 4 -38.542 21.080 10.891 1.00 20.00 H new ATOM 0 HA ALA A 4 -38.275 18.950 9.077 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -39.376 20.500 7.504 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -40.167 20.503 9.098 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -39.090 21.842 8.637 1.00 20.00 H new ATOM 193 N LEU A 5 -36.081 21.341 8.799 1.00 20.00 N ATOM 194 CA LEU A 5 -34.835 21.726 8.154 1.00 20.00 C ATOM 195 C LEU A 5 -33.689 20.878 8.698 1.00 20.00 C ATOM 196 O LEU A 5 -32.699 21.401 9.216 1.00 20.00 O ATOM 197 CB LEU A 5 -34.537 23.220 8.370 1.00 20.00 C ATOM 198 CG LEU A 5 -35.509 24.220 7.716 1.00 20.00 C ATOM 199 CD1 LEU A 5 -35.703 23.916 6.236 1.00 20.00 C ATOM 200 CD2 LEU A 5 -36.851 24.248 8.439 1.00 20.00 C ATOM 0 H LEU A 5 -36.330 21.910 9.608 1.00 20.00 H new ATOM 0 HA LEU A 5 -34.936 21.554 7.082 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -34.521 23.412 9.443 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -33.534 23.425 7.995 1.00 20.00 H new ATOM 0 HG LEU A 5 -35.060 25.210 7.803 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -36.394 24.639 5.804 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -34.743 23.979 5.723 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -36.110 22.911 6.121 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -37.512 24.964 7.951 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -37.303 23.256 8.406 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -36.699 24.543 9.477 1.00 20.00 H new ATOM 212 N SER A 6 -33.843 19.568 8.583 1.00 20.00 N ATOM 213 CA SER A 6 -32.853 18.625 9.072 1.00 20.00 C ATOM 214 C SER A 6 -31.568 18.705 8.247 1.00 20.00 C ATOM 215 O SER A 6 -31.588 18.473 7.037 1.00 20.00 O ATOM 216 CB SER A 6 -33.419 17.204 9.017 1.00 20.00 C ATOM 217 OG SER A 6 -34.627 17.100 9.754 1.00 20.00 O ATOM 0 H SER A 6 -34.656 19.131 8.149 1.00 20.00 H new ATOM 0 HA SER A 6 -32.614 18.881 10.104 1.00 20.00 H new ATOM 0 HB2 SER A 6 -33.598 16.922 7.980 1.00 20.00 H new ATOM 0 HB3 SER A 6 -32.686 16.503 9.416 1.00 20.00 H new ATOM 0 HG SER A 6 -34.873 17.981 10.105 1.00 20.00 H new ATOM 223 N PRO A 7 -30.438 19.051 8.887 1.00 20.00 N ATOM 224 CA PRO A 7 -29.144 19.119 8.211 1.00 20.00 C ATOM 225 C PRO A 7 -28.596 17.729 7.905 1.00 20.00 C ATOM 226 O PRO A 7 -28.357 16.935 8.821 1.00 20.00 O ATOM 227 CB PRO A 7 -28.249 19.845 9.219 1.00 20.00 C ATOM 228 CG PRO A 7 -28.859 19.564 10.550 1.00 20.00 C ATOM 229 CD PRO A 7 -30.340 19.402 10.318 1.00 20.00 C ATOM 0 HA PRO A 7 -29.205 19.625 7.248 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -27.223 19.480 9.170 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -28.216 20.916 9.018 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -28.434 18.661 10.988 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -28.663 20.379 11.246 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -30.761 18.621 10.951 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -30.883 20.320 10.542 1.00 20.00 H new ATOM 237 N MET A 8 -28.414 17.441 6.617 1.00 20.00 N ATOM 238 CA MET A 8 -27.942 16.133 6.162 1.00 20.00 C ATOM 239 C MET A 8 -28.886 15.037 6.631 1.00 20.00 C ATOM 240 O MET A 8 -28.534 14.204 7.468 1.00 20.00 O ATOM 241 CB MET A 8 -26.514 15.850 6.650 1.00 20.00 C ATOM 242 CG MET A 8 -25.437 16.612 5.891 1.00 20.00 C ATOM 243 SD MET A 8 -25.558 18.400 6.095 1.00 20.00 S ATOM 244 CE MET A 8 -24.195 18.945 5.070 1.00 20.00 C ATOM 0 H MET A 8 -28.589 18.104 5.862 1.00 20.00 H new ATOM 0 HA MET A 8 -27.926 16.146 5.072 1.00 20.00 H new ATOM 0 HB2 MET A 8 -26.446 16.103 7.708 1.00 20.00 H new ATOM 0 HB3 MET A 8 -26.317 14.781 6.564 1.00 20.00 H new ATOM 0 HG2 MET A 8 -24.457 16.279 6.231 1.00 20.00 H new ATOM 0 HG3 MET A 8 -25.506 16.368 4.831 1.00 20.00 H new ATOM 0 HE1 MET A 8 -24.356 19.981 4.771 1.00 20.00 H new ATOM 0 HE2 MET A 8 -23.264 18.870 5.632 1.00 20.00 H new ATOM 0 HE3 MET A 8 -24.134 18.316 4.182 1.00 20.00 H new ATOM 254 N VAL A 9 -30.093 15.053 6.094 1.00 20.00 N ATOM 255 CA VAL A 9 -31.110 14.089 6.472 1.00 20.00 C ATOM 256 C VAL A 9 -31.113 12.902 5.511 1.00 20.00 C ATOM 257 O VAL A 9 -31.033 13.066 4.294 1.00 20.00 O ATOM 258 CB VAL A 9 -32.518 14.739 6.532 1.00 20.00 C ATOM 259 CG1 VAL A 9 -32.930 15.318 5.184 1.00 20.00 C ATOM 260 CG2 VAL A 9 -33.560 13.747 7.028 1.00 20.00 C ATOM 0 H VAL A 9 -30.394 15.728 5.390 1.00 20.00 H new ATOM 0 HA VAL A 9 -30.865 13.730 7.472 1.00 20.00 H new ATOM 0 HB VAL A 9 -32.461 15.562 7.244 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -33.921 15.764 5.267 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -32.213 16.081 4.881 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -32.951 14.524 4.438 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -34.536 14.230 7.060 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -33.600 12.893 6.352 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -33.291 13.406 8.028 1.00 20.00 H new ATOM 270 N SER A 10 -31.168 11.711 6.075 1.00 20.00 N ATOM 271 CA SER A 10 -31.217 10.490 5.298 1.00 20.00 C ATOM 272 C SER A 10 -32.396 9.646 5.762 1.00 20.00 C ATOM 273 O SER A 10 -32.655 9.542 6.964 1.00 20.00 O ATOM 274 CB SER A 10 -29.902 9.717 5.454 1.00 20.00 C ATOM 275 OG SER A 10 -29.898 8.526 4.689 1.00 20.00 O ATOM 0 H SER A 10 -31.180 11.564 7.084 1.00 20.00 H new ATOM 0 HA SER A 10 -31.348 10.731 4.243 1.00 20.00 H new ATOM 0 HB2 SER A 10 -29.070 10.350 5.146 1.00 20.00 H new ATOM 0 HB3 SER A 10 -29.746 9.474 6.505 1.00 20.00 H new ATOM 0 HG SER A 10 -29.044 8.061 4.812 1.00 20.00 H new ATOM 281 N GLU A 11 -33.119 9.070 4.815 1.00 20.00 N ATOM 282 CA GLU A 11 -34.262 8.237 5.134 1.00 20.00 C ATOM 283 C GLU A 11 -33.799 6.823 5.458 1.00 20.00 C ATOM 284 O GLU A 11 -32.817 6.333 4.900 1.00 20.00 O ATOM 285 CB GLU A 11 -35.269 8.208 3.973 1.00 20.00 C ATOM 286 CG GLU A 11 -34.733 7.612 2.677 1.00 20.00 C ATOM 287 CD GLU A 11 -33.960 8.604 1.830 1.00 20.00 C ATOM 288 OE1 GLU A 11 -32.809 8.932 2.184 1.00 20.00 O ATOM 289 OE2 GLU A 11 -34.500 9.051 0.796 1.00 20.00 O ATOM 0 H GLU A 11 -32.932 9.166 3.817 1.00 20.00 H new ATOM 0 HA GLU A 11 -34.761 8.663 6.004 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -36.144 7.638 4.284 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -35.605 9.226 3.777 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -34.086 6.768 2.915 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -35.567 7.221 2.094 1.00 20.00 H new ATOM 296 N PHE A 12 -34.509 6.165 6.359 1.00 20.00 N ATOM 297 CA PHE A 12 -34.176 4.795 6.725 1.00 20.00 C ATOM 298 C PHE A 12 -34.799 3.820 5.739 1.00 20.00 C ATOM 299 O PHE A 12 -34.750 2.603 5.922 1.00 20.00 O ATOM 300 CB PHE A 12 -34.621 4.489 8.153 1.00 20.00 C ATOM 301 CG PHE A 12 -33.911 5.331 9.179 1.00 20.00 C ATOM 302 CD1 PHE A 12 -32.565 5.130 9.444 1.00 20.00 C ATOM 303 CD2 PHE A 12 -34.581 6.328 9.871 1.00 20.00 C ATOM 304 CE1 PHE A 12 -31.904 5.904 10.378 1.00 20.00 C ATOM 305 CE2 PHE A 12 -33.923 7.105 10.806 1.00 20.00 C ATOM 306 CZ PHE A 12 -32.583 6.892 11.060 1.00 20.00 C ATOM 0 H PHE A 12 -35.315 6.553 6.849 1.00 20.00 H new ATOM 0 HA PHE A 12 -33.093 4.680 6.684 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -35.695 4.652 8.237 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -34.441 3.435 8.367 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -32.027 4.359 8.914 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -35.630 6.500 9.677 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -30.855 5.735 10.574 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -34.457 7.879 11.338 1.00 20.00 H new ATOM 0 HZ PHE A 12 -32.068 7.497 11.791 1.00 20.00 H new ATOM 316 N GLU A 13 -35.386 4.378 4.691 1.00 20.00 N ATOM 317 CA GLU A 13 -35.912 3.592 3.588 1.00 20.00 C ATOM 318 C GLU A 13 -34.771 2.954 2.808 1.00 20.00 C ATOM 319 O GLU A 13 -34.898 1.844 2.291 1.00 20.00 O ATOM 320 CB GLU A 13 -36.739 4.479 2.657 1.00 20.00 C ATOM 321 CG GLU A 13 -37.942 5.111 3.331 1.00 20.00 C ATOM 322 CD GLU A 13 -38.998 4.090 3.689 1.00 20.00 C ATOM 323 OE1 GLU A 13 -39.833 3.775 2.819 1.00 20.00 O ATOM 324 OE2 GLU A 13 -38.989 3.590 4.832 1.00 20.00 O ATOM 0 H GLU A 13 -35.510 5.385 4.582 1.00 20.00 H new ATOM 0 HA GLU A 13 -36.550 2.807 3.993 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -36.101 5.267 2.258 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -37.079 3.884 1.809 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -37.620 5.630 4.234 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -38.374 5.862 2.669 1.00 20.00 H new ATOM 331 N THR A 14 -33.644 3.653 2.752 1.00 20.00 N ATOM 332 CA THR A 14 -32.491 3.181 2.008 1.00 20.00 C ATOM 333 C THR A 14 -31.610 2.286 2.871 1.00 20.00 C ATOM 334 O THR A 14 -30.419 2.123 2.610 1.00 20.00 O ATOM 335 CB THR A 14 -31.666 4.362 1.466 1.00 20.00 C ATOM 336 OG1 THR A 14 -31.375 5.282 2.525 1.00 20.00 O ATOM 337 CG2 THR A 14 -32.416 5.084 0.361 1.00 20.00 C ATOM 0 H THR A 14 -33.507 4.551 3.216 1.00 20.00 H new ATOM 0 HA THR A 14 -32.861 2.596 1.166 1.00 20.00 H new ATOM 0 HB THR A 14 -30.736 3.968 1.057 1.00 20.00 H new ATOM 0 HG1 THR A 14 -30.849 6.030 2.173 1.00 20.00 H new ATOM 0 HG21 THR A 14 -31.813 5.914 -0.006 1.00 20.00 H new ATOM 0 HG22 THR A 14 -32.615 4.391 -0.457 1.00 20.00 H new ATOM 0 HG23 THR A 14 -33.360 5.466 0.751 1.00 20.00 H new ATOM 345 N ILE A 15 -32.220 1.685 3.888 1.00 20.00 N ATOM 346 CA ILE A 15 -31.517 0.762 4.768 1.00 20.00 C ATOM 347 C ILE A 15 -31.104 -0.483 3.990 1.00 20.00 C ATOM 348 O ILE A 15 -30.267 -1.267 4.436 1.00 20.00 O ATOM 349 CB ILE A 15 -32.388 0.358 5.983 1.00 20.00 C ATOM 350 CG1 ILE A 15 -31.544 -0.365 7.040 1.00 20.00 C ATOM 351 CG2 ILE A 15 -33.550 -0.522 5.541 1.00 20.00 C ATOM 352 CD1 ILE A 15 -32.315 -0.729 8.291 1.00 20.00 C ATOM 0 H ILE A 15 -33.203 1.822 4.122 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.630 1.270 5.146 1.00 20.00 H new ATOM 0 HB ILE A 15 -32.792 1.268 6.428 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.130 -1.273 6.602 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.701 0.269 7.315 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -34.150 -0.795 6.409 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -34.169 0.024 4.829 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -33.163 -1.425 5.068 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -31.652 -1.237 8.992 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -32.707 0.177 8.754 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.142 -1.389 8.030 1.00 20.00 H new ATOM 364 N GLU A 16 -31.683 -0.639 2.804 1.00 20.00 N ATOM 365 CA GLU A 16 -31.365 -1.755 1.932 1.00 20.00 C ATOM 366 C GLU A 16 -29.901 -1.717 1.510 1.00 20.00 C ATOM 367 O GLU A 16 -29.321 -2.742 1.157 1.00 20.00 O ATOM 368 CB GLU A 16 -32.272 -1.749 0.705 1.00 20.00 C ATOM 369 CG GLU A 16 -33.727 -2.043 1.027 1.00 20.00 C ATOM 370 CD GLU A 16 -33.898 -3.320 1.830 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.278 -4.344 1.470 1.00 20.00 O ATOM 372 OE2 GLU A 16 -34.668 -3.309 2.814 1.00 20.00 O ATOM 0 H GLU A 16 -32.381 0.002 2.426 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.535 -2.677 2.487 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.205 -0.776 0.218 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -31.909 -2.488 -0.009 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.148 -1.207 1.586 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.292 -2.123 0.098 1.00 20.00 H new ATOM 379 N GLN A 17 -29.303 -0.531 1.568 1.00 20.00 N ATOM 380 CA GLN A 17 -27.885 -0.373 1.270 1.00 20.00 C ATOM 381 C GLN A 17 -27.046 -1.121 2.300 1.00 20.00 C ATOM 382 O GLN A 17 -25.994 -1.673 1.982 1.00 20.00 O ATOM 383 CB GLN A 17 -27.497 1.108 1.248 1.00 20.00 C ATOM 384 CG GLN A 17 -28.117 1.892 0.099 1.00 20.00 C ATOM 385 CD GLN A 17 -27.554 1.498 -1.255 1.00 20.00 C ATOM 386 OE1 GLN A 17 -27.137 0.360 -1.464 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.545 2.435 -2.189 1.00 20.00 N ATOM 0 H GLN A 17 -29.780 0.335 1.819 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.692 -0.793 0.283 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -27.797 1.566 2.191 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.412 1.188 1.186 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -29.196 1.735 0.098 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.950 2.957 0.260 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.899 3.368 -1.979 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.184 2.224 -3.119 1.00 20.00 H new ATOM 396 N GLU A 18 -27.537 -1.151 3.530 1.00 20.00 N ATOM 397 CA GLU A 18 -26.867 -1.861 4.609 1.00 20.00 C ATOM 398 C GLU A 18 -27.360 -3.300 4.659 1.00 20.00 C ATOM 399 O GLU A 18 -26.621 -4.216 5.015 1.00 20.00 O ATOM 400 CB GLU A 18 -27.137 -1.168 5.948 1.00 20.00 C ATOM 401 CG GLU A 18 -26.689 0.286 5.991 1.00 20.00 C ATOM 402 CD GLU A 18 -26.990 0.941 7.321 1.00 20.00 C ATOM 403 OE1 GLU A 18 -26.172 0.799 8.252 1.00 20.00 O ATOM 404 OE2 GLU A 18 -28.045 1.597 7.443 1.00 20.00 O ATOM 0 H GLU A 18 -28.403 -0.688 3.807 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.793 -1.855 4.424 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.205 -1.215 6.162 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.629 -1.718 6.740 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.618 0.340 5.796 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.186 0.841 5.195 1.00 20.00 H new ATOM 411 N ASN A 19 -28.617 -3.486 4.279 1.00 20.00 N ATOM 412 CA ASN A 19 -29.227 -4.813 4.229 1.00 20.00 C ATOM 413 C ASN A 19 -28.562 -5.659 3.146 1.00 20.00 C ATOM 414 O ASN A 19 -28.626 -6.888 3.171 1.00 20.00 O ATOM 415 CB ASN A 19 -30.732 -4.703 3.958 1.00 20.00 C ATOM 416 CG ASN A 19 -31.465 -6.016 4.163 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.065 -6.843 4.985 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.550 -6.215 3.428 1.00 20.00 N ATOM 0 H ASN A 19 -29.241 -2.729 3.998 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.081 -5.296 5.195 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.160 -3.947 4.616 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.888 -4.361 2.935 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.086 -7.077 3.532 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.849 -5.506 2.758 1.00 20.00 H new ATOM 425 N SER A 20 -27.906 -4.989 2.204 1.00 20.00 N ATOM 426 CA SER A 20 -27.155 -5.673 1.160 1.00 20.00 C ATOM 427 C SER A 20 -26.048 -6.536 1.768 1.00 20.00 C ATOM 428 O SER A 20 -25.669 -7.565 1.206 1.00 20.00 O ATOM 429 CB SER A 20 -26.561 -4.662 0.171 1.00 20.00 C ATOM 430 OG SER A 20 -27.580 -3.953 -0.524 1.00 20.00 O ATOM 0 H SER A 20 -27.880 -3.971 2.143 1.00 20.00 H new ATOM 0 HA SER A 20 -27.842 -6.324 0.619 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.926 -3.957 0.707 1.00 20.00 H new ATOM 0 HB3 SER A 20 -25.925 -5.182 -0.545 1.00 20.00 H new ATOM 0 HG SER A 20 -28.239 -3.614 0.118 1.00 20.00 H new ATOM 436 N TYR A 21 -25.552 -6.125 2.932 1.00 20.00 N ATOM 437 CA TYR A 21 -24.532 -6.888 3.637 1.00 20.00 C ATOM 438 C TYR A 21 -25.146 -8.132 4.266 1.00 20.00 C ATOM 439 O TYR A 21 -24.510 -9.181 4.342 1.00 20.00 O ATOM 440 CB TYR A 21 -23.861 -6.033 4.715 1.00 20.00 C ATOM 441 CG TYR A 21 -22.783 -6.768 5.482 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.528 -6.971 4.924 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.022 -7.269 6.758 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.543 -7.650 5.612 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.040 -7.948 7.452 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.802 -8.136 6.873 1.00 20.00 C ATOM 447 OH TYR A 21 -19.820 -8.815 7.557 1.00 20.00 O ATOM 0 H TYR A 21 -25.841 -5.269 3.405 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.773 -7.191 2.915 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.426 -5.149 4.248 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.620 -5.683 5.415 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.319 -6.591 3.935 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.991 -7.125 7.213 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.572 -7.799 5.162 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.240 -8.330 8.442 1.00 20.00 H new ATOM 0 HH TYR A 21 -20.162 -9.091 8.433 1.00 20.00 H new ATOM 457 N ASN A 22 -26.393 -8.013 4.698 1.00 20.00 N ATOM 458 CA ASN A 22 -27.092 -9.120 5.340 1.00 20.00 C ATOM 459 C ASN A 22 -27.316 -10.249 4.353 1.00 20.00 C ATOM 460 O ASN A 22 -27.135 -11.420 4.682 1.00 20.00 O ATOM 461 CB ASN A 22 -28.431 -8.661 5.917 1.00 20.00 C ATOM 462 CG ASN A 22 -28.265 -7.660 7.039 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.282 -7.701 7.779 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.218 -6.751 7.169 1.00 20.00 N ATOM 0 H ASN A 22 -26.944 -7.159 4.616 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.468 -9.481 6.158 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.032 -8.216 5.124 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.980 -9.527 6.285 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.155 -6.048 7.905 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.016 -6.754 6.533 1.00 20.00 H new ATOM 471 N GLU A 23 -27.691 -9.891 3.134 1.00 20.00 N ATOM 472 CA GLU A 23 -27.923 -10.876 2.091 1.00 20.00 C ATOM 473 C GLU A 23 -26.604 -11.472 1.620 1.00 20.00 C ATOM 474 O GLU A 23 -26.539 -12.632 1.209 1.00 20.00 O ATOM 475 CB GLU A 23 -28.681 -10.245 0.925 1.00 20.00 C ATOM 476 CG GLU A 23 -30.070 -9.766 1.309 1.00 20.00 C ATOM 477 CD GLU A 23 -30.888 -10.855 1.967 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.459 -11.694 1.240 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.954 -10.890 3.215 1.00 20.00 O ATOM 0 H GLU A 23 -27.841 -8.925 2.844 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.533 -11.681 2.500 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.106 -9.403 0.539 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.764 -10.972 0.117 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.985 -8.917 1.988 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.589 -9.411 0.419 1.00 20.00 H new ATOM 486 N TRP A 24 -25.553 -10.668 1.697 1.00 20.00 N ATOM 487 CA TRP A 24 -24.210 -11.118 1.368 1.00 20.00 C ATOM 488 C TRP A 24 -23.716 -12.118 2.414 1.00 20.00 C ATOM 489 O TRP A 24 -23.134 -13.151 2.079 1.00 20.00 O ATOM 490 CB TRP A 24 -23.269 -9.909 1.284 1.00 20.00 C ATOM 491 CG TRP A 24 -21.837 -10.260 1.022 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.251 -10.447 -0.194 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.808 -10.457 2.000 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.921 -10.751 -0.033 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.626 -10.764 1.303 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.774 -10.405 3.395 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.422 -11.015 1.955 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.578 -10.656 4.041 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.418 -10.957 3.321 1.00 20.00 C ATOM 0 H TRP A 24 -25.607 -9.692 1.987 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.224 -11.620 0.400 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.619 -9.245 0.493 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.329 -9.351 2.218 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -21.758 -10.368 -1.144 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.260 -10.937 -0.787 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.666 -10.173 3.959 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.524 -11.247 1.402 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.539 -10.619 5.120 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.499 -11.148 3.855 1.00 20.00 H new ATOM 510 N LEU A 25 -23.970 -11.808 3.679 1.00 20.00 N ATOM 511 CA LEU A 25 -23.529 -12.647 4.785 1.00 20.00 C ATOM 512 C LEU A 25 -24.384 -13.907 4.882 1.00 20.00 C ATOM 513 O LEU A 25 -23.902 -14.967 5.284 1.00 20.00 O ATOM 514 CB LEU A 25 -23.598 -11.860 6.098 1.00 20.00 C ATOM 515 CG LEU A 25 -23.084 -12.597 7.337 1.00 20.00 C ATOM 516 CD1 LEU A 25 -21.599 -12.901 7.206 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.353 -11.783 8.593 1.00 20.00 C ATOM 0 H LEU A 25 -24.483 -10.975 3.966 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.497 -12.947 4.602 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.025 -10.940 5.980 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.634 -11.570 6.273 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.620 -13.543 7.418 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.255 -13.425 8.098 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.432 -13.527 6.330 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.045 -11.969 7.097 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.981 -12.323 9.463 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.846 -10.821 8.519 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.426 -11.621 8.698 1.00 20.00 H new ATOM 529 N ARG A 26 -25.649 -13.774 4.498 1.00 20.00 N ATOM 530 CA ARG A 26 -26.610 -14.873 4.557 1.00 20.00 C ATOM 531 C ARG A 26 -26.075 -16.125 3.870 1.00 20.00 C ATOM 532 O ARG A 26 -26.018 -17.197 4.472 1.00 20.00 O ATOM 533 CB ARG A 26 -27.925 -14.454 3.892 1.00 20.00 C ATOM 534 CG ARG A 26 -28.962 -15.562 3.847 1.00 20.00 C ATOM 535 CD ARG A 26 -30.112 -15.217 2.915 1.00 20.00 C ATOM 536 NE ARG A 26 -30.816 -14.001 3.321 1.00 20.00 N ATOM 537 CZ ARG A 26 -32.093 -13.969 3.694 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.816 -15.079 3.729 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.659 -12.819 4.018 1.00 20.00 N ATOM 0 H ARG A 26 -26.038 -12.903 4.137 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.781 -15.106 5.608 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.339 -13.601 4.430 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.718 -14.119 2.875 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.491 -16.488 3.517 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.348 -15.741 4.851 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.729 -15.091 1.902 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.816 -16.049 2.888 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.296 -13.123 3.318 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.395 -15.971 3.468 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.794 -15.042 4.017 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -32.117 -11.956 3.982 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.638 -12.795 4.304 1.00 20.00 H new ATOM 553 N ALA A 27 -25.659 -15.971 2.619 1.00 20.00 N ATOM 554 CA ALA A 27 -25.220 -17.098 1.805 1.00 20.00 C ATOM 555 C ALA A 27 -23.857 -17.613 2.247 1.00 20.00 C ATOM 556 O ALA A 27 -23.401 -18.668 1.804 1.00 20.00 O ATOM 557 CB ALA A 27 -25.181 -16.696 0.342 1.00 20.00 C ATOM 0 H ALA A 27 -25.616 -15.070 2.143 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.937 -17.908 1.938 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -24.852 -17.543 -0.260 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.177 -16.389 0.022 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.486 -15.867 0.211 1.00 20.00 H new ATOM 563 N LYS A 28 -23.209 -16.867 3.123 1.00 20.00 N ATOM 564 CA LYS A 28 -21.889 -17.235 3.604 1.00 20.00 C ATOM 565 C LYS A 28 -21.986 -18.103 4.854 1.00 20.00 C ATOM 566 O LYS A 28 -21.314 -19.130 4.958 1.00 20.00 O ATOM 567 CB LYS A 28 -21.059 -15.981 3.892 1.00 20.00 C ATOM 568 CG LYS A 28 -19.696 -16.274 4.503 1.00 20.00 C ATOM 569 CD LYS A 28 -18.868 -15.009 4.659 1.00 20.00 C ATOM 570 CE LYS A 28 -18.401 -14.462 3.314 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.536 -15.429 2.587 1.00 20.00 N ATOM 0 H LYS A 28 -23.576 -16.001 3.517 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.393 -17.814 2.825 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.919 -15.428 2.963 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.618 -15.334 4.568 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.827 -16.746 5.477 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.160 -16.985 3.874 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.458 -14.251 5.174 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.001 -15.218 5.286 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.269 -14.220 2.700 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.853 -13.533 3.471 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.014 -14.932 1.837 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.862 -15.859 3.252 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.127 -16.173 2.163 1.00 20.00 H new ATOM 585 N VAL A 29 -22.834 -17.699 5.790 1.00 20.00 N ATOM 586 CA VAL A 29 -22.944 -18.392 7.066 1.00 20.00 C ATOM 587 C VAL A 29 -23.837 -19.632 6.962 1.00 20.00 C ATOM 588 O VAL A 29 -23.671 -20.591 7.722 1.00 20.00 O ATOM 589 CB VAL A 29 -23.469 -17.446 8.176 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.912 -17.031 7.921 1.00 20.00 C ATOM 591 CG2 VAL A 29 -23.324 -18.090 9.547 1.00 20.00 C ATOM 0 H VAL A 29 -23.455 -16.896 5.690 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.940 -18.720 7.336 1.00 20.00 H new ATOM 0 HB VAL A 29 -22.859 -16.543 8.155 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.246 -16.368 8.719 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.977 -16.510 6.966 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.546 -17.917 7.895 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -23.699 -17.408 10.311 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.896 -19.017 9.576 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.273 -18.306 9.738 1.00 20.00 H new ATOM 601 N ALA A 30 -24.764 -19.623 6.010 1.00 20.00 N ATOM 602 CA ALA A 30 -25.709 -20.720 5.855 1.00 20.00 C ATOM 603 C ALA A 30 -26.410 -20.644 4.505 1.00 20.00 C ATOM 604 O ALA A 30 -25.953 -19.944 3.602 1.00 20.00 O ATOM 605 CB ALA A 30 -26.735 -20.686 6.980 1.00 20.00 C ATOM 0 H ALA A 30 -24.880 -18.867 5.335 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.157 -21.659 5.902 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.438 -21.510 6.856 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.227 -20.784 7.939 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -27.276 -19.740 6.951 1.00 20.00 H new ATOM 611 N THR A 31 -27.499 -21.383 4.359 1.00 20.00 N ATOM 612 CA THR A 31 -28.330 -21.280 3.174 1.00 20.00 C ATOM 613 C THR A 31 -29.349 -20.157 3.353 1.00 20.00 C ATOM 614 O THR A 31 -29.242 -19.107 2.713 1.00 20.00 O ATOM 615 CB THR A 31 -29.062 -22.607 2.887 1.00 20.00 C ATOM 616 OG1 THR A 31 -28.113 -23.679 2.813 1.00 20.00 O ATOM 617 CG2 THR A 31 -29.849 -22.529 1.588 1.00 20.00 C ATOM 0 H THR A 31 -27.826 -22.060 5.048 1.00 20.00 H new ATOM 0 HA THR A 31 -27.684 -21.058 2.325 1.00 20.00 H new ATOM 0 HB THR A 31 -29.762 -22.792 3.701 1.00 20.00 H new ATOM 0 HG1 THR A 31 -28.583 -24.520 2.632 1.00 20.00 H new ATOM 0 HG21 THR A 31 -30.355 -23.478 1.411 1.00 20.00 H new ATOM 0 HG22 THR A 31 -30.589 -21.731 1.658 1.00 20.00 H new ATOM 0 HG23 THR A 31 -29.169 -22.321 0.762 1.00 20.00 H new ATOM 625 N SER A 32 -30.315 -20.384 4.251 1.00 20.00 N ATOM 626 CA SER A 32 -31.359 -19.405 4.552 1.00 20.00 C ATOM 627 C SER A 32 -31.986 -18.842 3.275 1.00 20.00 C ATOM 628 O SER A 32 -32.011 -17.629 3.063 1.00 20.00 O ATOM 629 CB SER A 32 -30.783 -18.277 5.416 1.00 20.00 C ATOM 630 OG SER A 32 -30.222 -18.791 6.615 1.00 20.00 O ATOM 0 H SER A 32 -30.393 -21.249 4.786 1.00 20.00 H new ATOM 0 HA SER A 32 -32.150 -19.910 5.107 1.00 20.00 H new ATOM 0 HB2 SER A 32 -30.020 -17.738 4.855 1.00 20.00 H new ATOM 0 HB3 SER A 32 -31.568 -17.560 5.656 1.00 20.00 H new ATOM 0 HG SER A 32 -29.859 -18.054 7.149 1.00 20.00 H new ATOM 636 N LEU A 33 -32.490 -19.736 2.432 1.00 20.00 N ATOM 637 CA LEU A 33 -33.087 -19.346 1.159 1.00 20.00 C ATOM 638 C LEU A 33 -34.392 -18.595 1.411 1.00 20.00 C ATOM 639 O LEU A 33 -34.743 -17.666 0.682 1.00 20.00 O ATOM 640 CB LEU A 33 -33.308 -20.601 0.288 1.00 20.00 C ATOM 641 CG LEU A 33 -33.772 -20.378 -1.165 1.00 20.00 C ATOM 642 CD1 LEU A 33 -35.276 -20.155 -1.240 1.00 20.00 C ATOM 643 CD2 LEU A 33 -33.031 -19.208 -1.802 1.00 20.00 C ATOM 0 H LEU A 33 -32.497 -20.741 2.608 1.00 20.00 H new ATOM 0 HA LEU A 33 -32.417 -18.676 0.620 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -32.374 -21.163 0.262 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -34.045 -21.231 0.785 1.00 20.00 H new ATOM 0 HG LEU A 33 -33.536 -21.283 -1.724 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -35.570 -20.001 -2.278 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -35.794 -21.028 -0.842 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -35.543 -19.276 -0.653 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -33.377 -19.072 -2.827 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -33.225 -18.300 -1.230 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -31.961 -19.414 -1.805 1.00 20.00 H new ATOM 655 N ALA A 34 -35.091 -18.992 2.460 1.00 20.00 N ATOM 656 CA ALA A 34 -36.318 -18.330 2.856 1.00 20.00 C ATOM 657 C ALA A 34 -36.161 -17.763 4.258 1.00 20.00 C ATOM 658 O ALA A 34 -35.277 -18.188 5.005 1.00 20.00 O ATOM 659 CB ALA A 34 -37.486 -19.303 2.794 1.00 20.00 C ATOM 0 H ALA A 34 -34.826 -19.776 3.056 1.00 20.00 H new ATOM 0 HA ALA A 34 -36.524 -17.511 2.167 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -38.401 -18.792 3.094 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -37.595 -19.676 1.776 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -37.299 -20.139 3.468 1.00 20.00 H new ATOM 665 N ASP A 35 -36.992 -16.794 4.612 1.00 20.00 N ATOM 666 CA ASP A 35 -36.941 -16.204 5.942 1.00 20.00 C ATOM 667 C ASP A 35 -38.166 -16.585 6.757 1.00 20.00 C ATOM 668 O ASP A 35 -39.223 -15.962 6.632 1.00 20.00 O ATOM 669 CB ASP A 35 -36.828 -14.678 5.872 1.00 20.00 C ATOM 670 CG ASP A 35 -35.445 -14.208 5.483 1.00 20.00 C ATOM 671 OD1 ASP A 35 -34.529 -14.269 6.328 1.00 20.00 O ATOM 672 OD2 ASP A 35 -35.263 -13.775 4.328 1.00 20.00 O ATOM 0 H ASP A 35 -37.707 -16.401 4.000 1.00 20.00 H new ATOM 0 HA ASP A 35 -36.051 -16.599 6.433 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -37.552 -14.298 5.151 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -37.091 -14.254 6.841 1.00 20.00 H new ATOM 677 N PRO A 36 -38.043 -17.620 7.603 1.00 20.00 N ATOM 678 CA PRO A 36 -39.100 -18.000 8.541 1.00 20.00 C ATOM 679 C PRO A 36 -39.127 -17.062 9.744 1.00 20.00 C ATOM 680 O PRO A 36 -39.981 -17.169 10.626 1.00 20.00 O ATOM 681 CB PRO A 36 -38.698 -19.415 8.962 1.00 20.00 C ATOM 682 CG PRO A 36 -37.215 -19.440 8.838 1.00 20.00 C ATOM 683 CD PRO A 36 -36.870 -18.514 7.700 1.00 20.00 C ATOM 0 HA PRO A 36 -40.098 -17.948 8.105 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -39.013 -19.629 9.983 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -39.162 -20.165 8.321 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -36.742 -19.112 9.763 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -36.858 -20.451 8.639 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -35.957 -17.955 7.903 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -36.708 -19.063 6.773 1.00 20.00 H new ATOM 691 N ARG A 37 -38.174 -16.141 9.752 1.00 20.00 N ATOM 692 CA ARG A 37 -38.026 -15.161 10.811 1.00 20.00 C ATOM 693 C ARG A 37 -37.849 -13.780 10.186 1.00 20.00 C ATOM 694 O ARG A 37 -37.112 -13.638 9.210 1.00 20.00 O ATOM 695 CB ARG A 37 -36.804 -15.518 11.661 1.00 20.00 C ATOM 696 CG ARG A 37 -36.578 -14.598 12.851 1.00 20.00 C ATOM 697 CD ARG A 37 -35.261 -14.911 13.541 1.00 20.00 C ATOM 698 NE ARG A 37 -34.110 -14.586 12.696 1.00 20.00 N ATOM 699 CZ ARG A 37 -33.185 -15.468 12.315 1.00 20.00 C ATOM 700 NH1 ARG A 37 -33.291 -16.746 12.655 1.00 20.00 N ATOM 701 NH2 ARG A 37 -32.155 -15.068 11.580 1.00 20.00 N ATOM 0 H ARG A 37 -37.476 -16.055 9.014 1.00 20.00 H new ATOM 0 HA ARG A 37 -38.911 -15.157 11.448 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -36.914 -16.540 12.023 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -35.917 -15.498 11.028 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -36.580 -13.560 12.518 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -37.399 -14.707 13.560 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -35.197 -14.349 14.473 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -35.231 -15.968 13.804 1.00 20.00 H new ATOM 0 HE ARG A 37 -34.009 -13.622 12.378 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -34.085 -17.061 13.212 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -32.579 -17.413 12.359 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -32.072 -14.088 11.308 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -31.446 -15.740 11.287 1.00 20.00 H new ATOM 715 N PRO A 38 -38.535 -12.755 10.713 1.00 20.00 N ATOM 716 CA PRO A 38 -38.413 -11.383 10.212 1.00 20.00 C ATOM 717 C PRO A 38 -36.982 -10.863 10.307 1.00 20.00 C ATOM 718 O PRO A 38 -36.475 -10.616 11.406 1.00 20.00 O ATOM 719 CB PRO A 38 -39.328 -10.569 11.132 1.00 20.00 C ATOM 720 CG PRO A 38 -40.253 -11.561 11.747 1.00 20.00 C ATOM 721 CD PRO A 38 -39.489 -12.851 11.831 1.00 20.00 C ATOM 0 HA PRO A 38 -38.683 -11.316 9.158 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -38.752 -10.043 11.894 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -39.878 -9.814 10.571 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -40.573 -11.233 12.736 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -41.153 -11.680 11.144 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -38.978 -12.954 12.788 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -40.146 -13.715 11.726 1.00 20.00 H new ATOM 729 N ALA A 39 -36.334 -10.719 9.158 1.00 20.00 N ATOM 730 CA ALA A 39 -34.967 -10.221 9.106 1.00 20.00 C ATOM 731 C ALA A 39 -34.920 -8.768 9.546 1.00 20.00 C ATOM 732 O ALA A 39 -35.769 -7.971 9.143 1.00 20.00 O ATOM 733 CB ALA A 39 -34.397 -10.376 7.706 1.00 20.00 C ATOM 0 H ALA A 39 -36.736 -10.941 8.247 1.00 20.00 H new ATOM 0 HA ALA A 39 -34.355 -10.809 9.790 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -33.375 -9.999 7.686 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -34.401 -11.429 7.426 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -35.006 -9.811 7.000 1.00 20.00 H new ATOM 739 N ILE A 40 -33.920 -8.433 10.359 1.00 20.00 N ATOM 740 CA ILE A 40 -33.818 -7.110 10.967 1.00 20.00 C ATOM 741 C ILE A 40 -34.951 -6.906 11.974 1.00 20.00 C ATOM 742 O ILE A 40 -36.075 -6.557 11.606 1.00 20.00 O ATOM 743 CB ILE A 40 -33.835 -5.979 9.913 1.00 20.00 C ATOM 744 CG1 ILE A 40 -32.709 -6.188 8.893 1.00 20.00 C ATOM 745 CG2 ILE A 40 -33.696 -4.622 10.589 1.00 20.00 C ATOM 746 CD1 ILE A 40 -32.702 -5.167 7.778 1.00 20.00 C ATOM 0 H ILE A 40 -33.163 -9.067 10.613 1.00 20.00 H new ATOM 0 HA ILE A 40 -32.858 -7.061 11.481 1.00 20.00 H new ATOM 0 HB ILE A 40 -34.790 -6.006 9.387 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -31.751 -6.154 9.411 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -32.802 -7.184 8.461 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -33.710 -3.836 9.834 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -34.524 -4.474 11.282 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -32.754 -4.583 11.136 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -31.879 -5.379 7.096 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -33.645 -5.216 7.234 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -32.577 -4.169 8.199 1.00 20.00 H new ATOM 758 N PRO A 41 -34.663 -7.152 13.262 1.00 20.00 N ATOM 759 CA PRO A 41 -35.657 -7.066 14.342 1.00 20.00 C ATOM 760 C PRO A 41 -36.313 -5.692 14.439 1.00 20.00 C ATOM 761 O PRO A 41 -35.701 -4.667 14.133 1.00 20.00 O ATOM 762 CB PRO A 41 -34.839 -7.349 15.607 1.00 20.00 C ATOM 763 CG PRO A 41 -33.644 -8.091 15.129 1.00 20.00 C ATOM 764 CD PRO A 41 -33.337 -7.538 13.770 1.00 20.00 C ATOM 0 HA PRO A 41 -36.481 -7.761 14.179 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -34.555 -6.424 16.110 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -35.410 -7.939 16.324 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -32.801 -7.954 15.807 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -33.842 -9.162 15.080 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -32.662 -6.684 13.825 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -32.860 -8.281 13.130 1.00 20.00 H new ATOM 772 N HIS A 42 -37.558 -5.679 14.898 1.00 20.00 N ATOM 773 CA HIS A 42 -38.338 -4.454 14.982 1.00 20.00 C ATOM 774 C HIS A 42 -37.853 -3.581 16.137 1.00 20.00 C ATOM 775 O HIS A 42 -38.223 -2.418 16.243 1.00 20.00 O ATOM 776 CB HIS A 42 -39.827 -4.784 15.146 1.00 20.00 C ATOM 777 CG HIS A 42 -40.726 -3.586 15.081 1.00 20.00 C ATOM 778 ND1 HIS A 42 -41.408 -3.096 16.175 1.00 20.00 N ATOM 779 CD2 HIS A 42 -41.053 -2.777 14.046 1.00 20.00 C ATOM 780 CE1 HIS A 42 -42.115 -2.042 15.816 1.00 20.00 C ATOM 781 NE2 HIS A 42 -41.916 -1.828 14.530 1.00 20.00 N ATOM 0 H HIS A 42 -38.051 -6.512 15.220 1.00 20.00 H new ATOM 0 HA HIS A 42 -38.204 -3.896 14.056 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -40.121 -5.489 14.368 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -39.975 -5.285 16.103 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -40.700 -2.863 13.029 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -42.748 -1.455 16.464 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -42.337 -1.077 13.983 1.00 20.00 H new ATOM 790 N ASP A 43 -37.014 -4.142 16.999 1.00 20.00 N ATOM 791 CA ASP A 43 -36.445 -3.373 18.103 1.00 20.00 C ATOM 792 C ASP A 43 -35.270 -2.533 17.628 1.00 20.00 C ATOM 793 O ASP A 43 -34.760 -1.687 18.363 1.00 20.00 O ATOM 794 CB ASP A 43 -35.992 -4.282 19.248 1.00 20.00 C ATOM 795 CG ASP A 43 -37.152 -4.861 20.026 1.00 20.00 C ATOM 796 OD1 ASP A 43 -37.815 -4.104 20.762 1.00 20.00 O ATOM 797 OD2 ASP A 43 -37.409 -6.078 19.909 1.00 20.00 O ATOM 0 H ASP A 43 -36.714 -5.116 16.958 1.00 20.00 H new ATOM 0 HA ASP A 43 -37.231 -2.716 18.474 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -35.389 -5.095 18.844 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -35.352 -3.716 19.925 1.00 20.00 H new ATOM 802 N GLU A 44 -34.846 -2.758 16.394 1.00 20.00 N ATOM 803 CA GLU A 44 -33.707 -2.036 15.848 1.00 20.00 C ATOM 804 C GLU A 44 -34.101 -0.619 15.456 1.00 20.00 C ATOM 805 O GLU A 44 -33.282 0.296 15.508 1.00 20.00 O ATOM 806 CB GLU A 44 -33.109 -2.779 14.656 1.00 20.00 C ATOM 807 CG GLU A 44 -32.536 -4.140 15.021 1.00 20.00 C ATOM 808 CD GLU A 44 -31.578 -4.073 16.192 1.00 20.00 C ATOM 809 OE1 GLU A 44 -30.453 -3.556 16.020 1.00 20.00 O ATOM 810 OE2 GLU A 44 -31.944 -4.527 17.296 1.00 20.00 O ATOM 0 H GLU A 44 -35.270 -3.430 15.755 1.00 20.00 H new ATOM 0 HA GLU A 44 -32.945 -1.975 16.625 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -33.878 -2.909 13.895 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -32.322 -2.168 14.213 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -33.352 -4.821 15.262 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -32.019 -4.556 14.156 1.00 20.00 H new ATOM 817 N VAL A 45 -35.363 -0.430 15.089 1.00 20.00 N ATOM 818 CA VAL A 45 -35.851 0.901 14.762 1.00 20.00 C ATOM 819 C VAL A 45 -35.902 1.763 16.023 1.00 20.00 C ATOM 820 O VAL A 45 -35.779 2.979 15.959 1.00 20.00 O ATOM 821 CB VAL A 45 -37.242 0.869 14.077 1.00 20.00 C ATOM 822 CG1 VAL A 45 -38.315 0.330 15.009 1.00 20.00 C ATOM 823 CG2 VAL A 45 -37.626 2.250 13.568 1.00 20.00 C ATOM 0 H VAL A 45 -36.058 -1.172 15.011 1.00 20.00 H new ATOM 0 HA VAL A 45 -35.153 1.337 14.048 1.00 20.00 H new ATOM 0 HB VAL A 45 -37.169 0.191 13.226 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -39.275 0.323 14.493 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -38.058 -0.685 15.311 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -38.382 0.965 15.892 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -38.605 2.203 13.091 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -37.662 2.949 14.404 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -36.886 2.589 12.843 1.00 20.00 H new ATOM 833 N GLU A 46 -36.041 1.112 17.174 1.00 20.00 N ATOM 834 CA GLU A 46 -36.103 1.812 18.450 1.00 20.00 C ATOM 835 C GLU A 46 -34.763 2.474 18.756 1.00 20.00 C ATOM 836 O GLU A 46 -34.700 3.662 19.090 1.00 20.00 O ATOM 837 CB GLU A 46 -36.481 0.835 19.571 1.00 20.00 C ATOM 838 CG GLU A 46 -36.732 1.502 20.911 1.00 20.00 C ATOM 839 CD GLU A 46 -37.905 2.452 20.873 1.00 20.00 C ATOM 840 OE1 GLU A 46 -39.044 1.984 20.665 1.00 20.00 O ATOM 841 OE2 GLU A 46 -37.697 3.671 21.047 1.00 20.00 O ATOM 0 H GLU A 46 -36.113 0.097 17.248 1.00 20.00 H new ATOM 0 HA GLU A 46 -36.867 2.586 18.387 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -37.376 0.288 19.276 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -35.682 0.102 19.685 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -36.913 0.737 21.666 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -35.838 2.046 21.216 1.00 20.00 H new ATOM 848 N ARG A 47 -33.690 1.708 18.617 1.00 20.00 N ATOM 849 CA ARG A 47 -32.350 2.209 18.893 1.00 20.00 C ATOM 850 C ARG A 47 -31.898 3.173 17.798 1.00 20.00 C ATOM 851 O ARG A 47 -31.212 4.160 18.074 1.00 20.00 O ATOM 852 CB ARG A 47 -31.358 1.045 19.030 1.00 20.00 C ATOM 853 CG ARG A 47 -31.286 0.154 17.801 1.00 20.00 C ATOM 854 CD ARG A 47 -30.320 -1.007 17.983 1.00 20.00 C ATOM 855 NE ARG A 47 -28.922 -0.577 18.001 1.00 20.00 N ATOM 856 CZ ARG A 47 -27.916 -1.323 17.544 1.00 20.00 C ATOM 857 NH1 ARG A 47 -28.158 -2.503 16.984 1.00 20.00 N ATOM 858 NH2 ARG A 47 -26.667 -0.887 17.633 1.00 20.00 N ATOM 0 H ARG A 47 -33.721 0.735 18.314 1.00 20.00 H new ATOM 0 HA ARG A 47 -32.376 2.753 19.837 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -30.366 1.447 19.234 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -31.640 0.439 19.891 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -32.280 -0.235 17.579 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -30.977 0.749 16.942 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -30.550 -1.523 18.915 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -30.465 -1.726 17.176 1.00 20.00 H new ATOM 0 HE ARG A 47 -28.705 0.343 18.384 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -29.117 -2.842 16.902 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -27.385 -3.070 16.636 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.473 0.022 18.052 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -25.900 -1.461 17.282 1.00 20.00 H new ATOM 872 N ARG A 48 -32.307 2.897 16.565 1.00 20.00 N ATOM 873 CA ARG A 48 -31.905 3.708 15.424 1.00 20.00 C ATOM 874 C ARG A 48 -32.657 5.040 15.410 1.00 20.00 C ATOM 875 O ARG A 48 -32.104 6.071 15.025 1.00 20.00 O ATOM 876 CB ARG A 48 -32.156 2.945 14.118 1.00 20.00 C ATOM 877 CG ARG A 48 -31.529 3.597 12.895 1.00 20.00 C ATOM 878 CD ARG A 48 -30.009 3.503 12.923 1.00 20.00 C ATOM 879 NE ARG A 48 -29.536 2.146 12.640 1.00 20.00 N ATOM 880 CZ ARG A 48 -28.437 1.607 13.172 1.00 20.00 C ATOM 881 NH1 ARG A 48 -27.764 2.244 14.120 1.00 20.00 N ATOM 882 NH2 ARG A 48 -28.028 0.409 12.774 1.00 20.00 N ATOM 0 H ARG A 48 -32.919 2.115 16.330 1.00 20.00 H new ATOM 0 HA ARG A 48 -30.839 3.918 15.513 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -31.765 1.933 14.219 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -33.231 2.857 13.960 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -31.907 3.116 11.993 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -31.828 4.644 12.847 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -29.590 4.193 12.190 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -29.645 3.817 13.901 1.00 20.00 H new ATOM 0 HE ARG A 48 -30.082 1.576 11.994 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -28.085 3.155 14.449 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -26.925 1.824 14.520 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -28.553 -0.099 12.062 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -27.188 -0.004 13.180 1.00 20.00 H new ATOM 896 N MET A 49 -33.913 5.018 15.846 1.00 20.00 N ATOM 897 CA MET A 49 -34.740 6.225 15.873 1.00 20.00 C ATOM 898 C MET A 49 -34.154 7.253 16.836 1.00 20.00 C ATOM 899 O MET A 49 -34.248 8.457 16.607 1.00 20.00 O ATOM 900 CB MET A 49 -36.176 5.886 16.285 1.00 20.00 C ATOM 901 CG MET A 49 -37.157 7.029 16.090 1.00 20.00 C ATOM 902 SD MET A 49 -38.805 6.652 16.720 1.00 20.00 S ATOM 903 CE MET A 49 -39.240 5.232 15.717 1.00 20.00 C ATOM 0 H MET A 49 -34.382 4.179 16.186 1.00 20.00 H new ATOM 0 HA MET A 49 -34.753 6.649 14.869 1.00 20.00 H new ATOM 0 HB2 MET A 49 -36.516 5.026 15.708 1.00 20.00 H new ATOM 0 HB3 MET A 49 -36.182 5.589 17.334 1.00 20.00 H new ATOM 0 HG2 MET A 49 -36.776 7.918 16.592 1.00 20.00 H new ATOM 0 HG3 MET A 49 -37.225 7.267 15.028 1.00 20.00 H new ATOM 0 HE1 MET A 49 -40.317 5.069 15.764 1.00 20.00 H new ATOM 0 HE2 MET A 49 -38.945 5.413 14.683 1.00 20.00 H new ATOM 0 HE3 MET A 49 -38.723 4.349 16.093 1.00 20.00 H new ATOM 913 N ALA A 50 -33.531 6.768 17.903 1.00 20.00 N ATOM 914 CA ALA A 50 -32.895 7.641 18.878 1.00 20.00 C ATOM 915 C ALA A 50 -31.749 8.413 18.240 1.00 20.00 C ATOM 916 O ALA A 50 -31.487 9.566 18.583 1.00 20.00 O ATOM 917 CB ALA A 50 -32.394 6.831 20.059 1.00 20.00 C ATOM 0 H ALA A 50 -33.453 5.773 18.114 1.00 20.00 H new ATOM 0 HA ALA A 50 -33.635 8.358 19.234 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -31.920 7.496 20.781 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -33.233 6.320 20.532 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -31.669 6.094 19.714 1.00 20.00 H new ATOM 923 N GLU A 51 -31.084 7.770 17.290 1.00 20.00 N ATOM 924 CA GLU A 51 -29.989 8.391 16.564 1.00 20.00 C ATOM 925 C GLU A 51 -30.523 9.438 15.599 1.00 20.00 C ATOM 926 O GLU A 51 -29.851 10.425 15.309 1.00 20.00 O ATOM 927 CB GLU A 51 -29.187 7.339 15.802 1.00 20.00 C ATOM 928 CG GLU A 51 -28.504 6.324 16.700 1.00 20.00 C ATOM 929 CD GLU A 51 -27.807 5.237 15.914 1.00 20.00 C ATOM 930 OE1 GLU A 51 -26.642 5.436 15.507 1.00 20.00 O ATOM 931 OE2 GLU A 51 -28.424 4.179 15.701 1.00 20.00 O ATOM 0 H GLU A 51 -31.287 6.812 17.004 1.00 20.00 H new ATOM 0 HA GLU A 51 -29.331 8.877 17.284 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -29.852 6.815 15.116 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -28.433 7.839 15.195 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -27.778 6.834 17.333 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -29.243 5.873 17.362 1.00 20.00 H new ATOM 938 N ARG A 52 -31.742 9.220 15.117 1.00 20.00 N ATOM 939 CA ARG A 52 -32.398 10.170 14.230 1.00 20.00 C ATOM 940 C ARG A 52 -32.630 11.488 14.963 1.00 20.00 C ATOM 941 O ARG A 52 -32.425 12.566 14.409 1.00 20.00 O ATOM 942 CB ARG A 52 -33.735 9.609 13.737 1.00 20.00 C ATOM 943 CG ARG A 52 -34.330 10.376 12.569 1.00 20.00 C ATOM 944 CD ARG A 52 -35.793 10.026 12.361 1.00 20.00 C ATOM 945 NE ARG A 52 -36.645 10.630 13.386 1.00 20.00 N ATOM 946 CZ ARG A 52 -37.852 10.176 13.725 1.00 20.00 C ATOM 947 NH1 ARG A 52 -38.334 9.071 13.170 1.00 20.00 N ATOM 948 NH2 ARG A 52 -38.572 10.828 14.630 1.00 20.00 N ATOM 0 H ARG A 52 -32.296 8.390 15.328 1.00 20.00 H new ATOM 0 HA ARG A 52 -31.753 10.344 13.368 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -33.595 8.569 13.443 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -34.447 9.614 14.563 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -34.233 11.447 12.748 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -33.769 10.152 11.662 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -36.112 10.366 11.376 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -35.914 8.943 12.379 1.00 20.00 H new ATOM 0 HE ARG A 52 -36.292 11.453 13.874 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -37.780 8.564 12.480 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -39.258 8.729 13.434 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -38.201 11.674 15.064 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -39.496 10.483 14.892 1.00 20.00 H new ATOM 962 N PHE A 53 -33.043 11.383 16.222 1.00 20.00 N ATOM 963 CA PHE A 53 -33.239 12.556 17.065 1.00 20.00 C ATOM 964 C PHE A 53 -31.904 13.205 17.403 1.00 20.00 C ATOM 965 O PHE A 53 -31.808 14.425 17.537 1.00 20.00 O ATOM 966 CB PHE A 53 -33.974 12.179 18.354 1.00 20.00 C ATOM 967 CG PHE A 53 -35.438 11.893 18.165 1.00 20.00 C ATOM 968 CD1 PHE A 53 -36.333 12.923 17.910 1.00 20.00 C ATOM 969 CD2 PHE A 53 -35.923 10.597 18.248 1.00 20.00 C ATOM 970 CE1 PHE A 53 -37.679 12.665 17.740 1.00 20.00 C ATOM 971 CE2 PHE A 53 -37.269 10.334 18.078 1.00 20.00 C ATOM 972 CZ PHE A 53 -38.148 11.369 17.824 1.00 20.00 C ATOM 0 H PHE A 53 -33.249 10.496 16.681 1.00 20.00 H new ATOM 0 HA PHE A 53 -33.847 13.270 16.510 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -33.496 11.301 18.788 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -33.863 12.990 19.073 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -35.972 13.939 17.844 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -35.241 9.784 18.448 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -38.364 13.476 17.542 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -37.634 9.320 18.144 1.00 20.00 H new ATOM 0 HZ PHE A 53 -39.200 11.165 17.691 1.00 20.00 H new ATOM 982 N ALA A 54 -30.869 12.383 17.522 1.00 20.00 N ATOM 983 CA ALA A 54 -29.535 12.868 17.843 1.00 20.00 C ATOM 984 C ALA A 54 -28.910 13.592 16.654 1.00 20.00 C ATOM 985 O ALA A 54 -27.912 14.294 16.798 1.00 20.00 O ATOM 986 CB ALA A 54 -28.650 11.718 18.293 1.00 20.00 C ATOM 0 H ALA A 54 -30.930 11.372 17.400 1.00 20.00 H new ATOM 0 HA ALA A 54 -29.623 13.584 18.661 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -27.655 12.095 18.530 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -29.082 11.252 19.179 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -28.577 10.980 17.494 1.00 20.00 H new ATOM 992 N LYS A 55 -29.496 13.419 15.476 1.00 20.00 N ATOM 993 CA LYS A 55 -29.050 14.137 14.287 1.00 20.00 C ATOM 994 C LYS A 55 -29.355 15.622 14.422 1.00 20.00 C ATOM 995 O LYS A 55 -28.678 16.464 13.833 1.00 20.00 O ATOM 996 CB LYS A 55 -29.729 13.587 13.029 1.00 20.00 C ATOM 997 CG LYS A 55 -29.352 12.152 12.696 1.00 20.00 C ATOM 998 CD LYS A 55 -30.141 11.640 11.505 1.00 20.00 C ATOM 999 CE LYS A 55 -29.723 10.229 11.120 1.00 20.00 C ATOM 1000 NZ LYS A 55 -28.321 10.180 10.629 1.00 20.00 N ATOM 0 H LYS A 55 -30.281 12.788 15.318 1.00 20.00 H new ATOM 0 HA LYS A 55 -27.973 13.996 14.194 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -30.810 13.647 13.157 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -29.472 14.224 12.183 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -28.285 12.094 12.481 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -29.538 11.514 13.560 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -31.205 11.653 11.740 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -29.994 12.308 10.656 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -29.829 9.571 11.983 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -30.392 9.851 10.347 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -28.144 9.261 10.175 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -28.168 10.943 9.939 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -27.668 10.302 11.430 1.00 20.00 H new ATOM 1014 N MET A 56 -30.364 15.933 15.230 1.00 20.00 N ATOM 1015 CA MET A 56 -30.792 17.312 15.446 1.00 20.00 C ATOM 1016 C MET A 56 -29.847 18.024 16.408 1.00 20.00 C ATOM 1017 O MET A 56 -30.024 19.201 16.716 1.00 20.00 O ATOM 1018 CB MET A 56 -32.217 17.350 16.005 1.00 20.00 C ATOM 1019 CG MET A 56 -33.274 16.703 15.116 1.00 20.00 C ATOM 1020 SD MET A 56 -33.480 17.528 13.521 1.00 20.00 S ATOM 1021 CE MET A 56 -32.285 16.656 12.509 1.00 20.00 C ATOM 0 H MET A 56 -30.905 15.242 15.750 1.00 20.00 H new ATOM 0 HA MET A 56 -30.772 17.825 14.485 1.00 20.00 H new ATOM 0 HB2 MET A 56 -32.225 16.852 16.975 1.00 20.00 H new ATOM 0 HB3 MET A 56 -32.496 18.389 16.178 1.00 20.00 H new ATOM 0 HG2 MET A 56 -33.004 15.661 14.945 1.00 20.00 H new ATOM 0 HG3 MET A 56 -34.229 16.703 15.642 1.00 20.00 H new ATOM 0 HE1 MET A 56 -32.711 16.468 11.523 1.00 20.00 H new ATOM 0 HE2 MET A 56 -31.385 17.262 12.406 1.00 20.00 H new ATOM 0 HE3 MET A 56 -32.032 15.707 12.981 1.00 20.00 H new ATOM 1031 N ARG A 57 -28.849 17.299 16.886 1.00 20.00 N ATOM 1032 CA ARG A 57 -27.860 17.858 17.797 1.00 20.00 C ATOM 1033 C ARG A 57 -26.823 18.661 17.022 1.00 20.00 C ATOM 1034 O ARG A 57 -26.179 19.558 17.566 1.00 20.00 O ATOM 1035 CB ARG A 57 -27.173 16.734 18.577 1.00 20.00 C ATOM 1036 CG ARG A 57 -26.141 17.215 19.584 1.00 20.00 C ATOM 1037 CD ARG A 57 -25.387 16.049 20.201 1.00 20.00 C ATOM 1038 NE ARG A 57 -26.280 15.112 20.880 1.00 20.00 N ATOM 1039 CZ ARG A 57 -26.062 13.800 20.964 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -24.990 13.261 20.392 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -26.920 13.025 21.614 1.00 20.00 N ATOM 0 H ARG A 57 -28.701 16.316 16.657 1.00 20.00 H new ATOM 0 HA ARG A 57 -28.366 18.522 18.499 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -27.933 16.154 19.101 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -26.688 16.060 17.870 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -25.437 17.887 19.094 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -26.635 17.788 20.369 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -24.835 15.523 19.422 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -24.653 16.428 20.912 1.00 20.00 H new ATOM 0 HE ARG A 57 -27.123 15.486 21.317 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -24.330 13.852 19.886 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -24.827 12.256 20.459 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -27.747 13.433 22.050 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -26.753 12.021 21.678 1.00 20.00 H new ATOM 1055 N LYS A 58 -26.675 18.345 15.743 1.00 20.00 N ATOM 1056 CA LYS A 58 -25.633 18.952 14.928 1.00 20.00 C ATOM 1057 C LYS A 58 -26.218 19.878 13.869 1.00 20.00 C ATOM 1058 O LYS A 58 -27.391 19.771 13.508 1.00 20.00 O ATOM 1059 CB LYS A 58 -24.781 17.868 14.261 1.00 20.00 C ATOM 1060 CG LYS A 58 -24.018 16.997 15.248 1.00 20.00 C ATOM 1061 CD LYS A 58 -22.988 16.125 14.544 1.00 20.00 C ATOM 1062 CE LYS A 58 -23.632 15.189 13.532 1.00 20.00 C ATOM 1063 NZ LYS A 58 -22.618 14.429 12.756 1.00 20.00 N ATOM 0 H LYS A 58 -27.262 17.673 15.249 1.00 20.00 H new ATOM 0 HA LYS A 58 -25.004 19.550 15.588 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -25.426 17.234 13.653 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -24.071 18.342 13.584 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -23.519 17.629 15.983 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -24.718 16.365 15.794 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -22.260 16.760 14.039 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -22.442 15.539 15.284 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -24.290 14.491 14.050 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -24.254 15.766 12.848 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -23.097 13.803 12.078 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -22.006 15.093 12.241 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -22.040 13.858 13.405 1.00 20.00 H new ATOM 1077 N GLU A 59 -25.386 20.795 13.392 1.00 20.00 N ATOM 1078 CA GLU A 59 -25.762 21.724 12.338 1.00 20.00 C ATOM 1079 C GLU A 59 -24.855 21.480 11.130 1.00 20.00 C ATOM 1080 O GLU A 59 -23.732 20.991 11.284 1.00 20.00 O ATOM 1081 CB GLU A 59 -25.610 23.163 12.847 1.00 20.00 C ATOM 1082 CG GLU A 59 -26.669 24.133 12.335 1.00 20.00 C ATOM 1083 CD GLU A 59 -26.586 24.380 10.844 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -25.758 25.213 10.420 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -27.333 23.730 10.087 1.00 20.00 O ATOM 0 H GLU A 59 -24.430 20.914 13.727 1.00 20.00 H new ATOM 0 HA GLU A 59 -26.801 21.571 12.046 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -25.641 23.154 13.937 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -24.627 23.534 12.559 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -27.657 23.741 12.577 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -26.565 25.083 12.860 1.00 20.00 H new ATOM 1092 N ARG A 60 -25.329 21.831 9.938 1.00 20.00 N ATOM 1093 CA ARG A 60 -24.605 21.529 8.704 1.00 20.00 C ATOM 1094 C ARG A 60 -23.414 22.459 8.502 1.00 20.00 C ATOM 1095 O ARG A 60 -22.709 22.361 7.499 1.00 20.00 O ATOM 1096 CB ARG A 60 -25.529 21.618 7.485 1.00 20.00 C ATOM 1097 CG ARG A 60 -26.101 23.005 7.246 1.00 20.00 C ATOM 1098 CD ARG A 60 -26.666 23.133 5.841 1.00 20.00 C ATOM 1099 NE ARG A 60 -25.618 23.021 4.827 1.00 20.00 N ATOM 1100 CZ ARG A 60 -25.798 22.498 3.616 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -26.991 22.038 3.255 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -24.782 22.441 2.762 1.00 20.00 N ATOM 0 H ARG A 60 -26.211 22.325 9.799 1.00 20.00 H new ATOM 0 HA ARG A 60 -24.235 20.508 8.802 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -24.976 21.306 6.599 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -26.351 20.914 7.612 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -26.885 23.208 7.976 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -25.323 23.753 7.397 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -27.415 22.359 5.678 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -27.172 24.093 5.738 1.00 20.00 H new ATOM 0 HE ARG A 60 -24.688 23.366 5.063 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -27.774 22.085 3.907 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -27.124 21.638 2.326 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -23.866 22.798 3.035 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -24.918 22.041 1.834 1.00 20.00 H new ATOM 1116 N SER A 61 -23.190 23.358 9.446 1.00 20.00 N ATOM 1117 CA SER A 61 -22.044 24.253 9.384 1.00 20.00 C ATOM 1118 C SER A 61 -20.806 23.589 9.983 1.00 20.00 C ATOM 1119 O SER A 61 -19.767 24.232 10.155 1.00 20.00 O ATOM 1120 CB SER A 61 -22.359 25.555 10.119 1.00 20.00 C ATOM 1121 OG SER A 61 -23.499 26.184 9.561 1.00 20.00 O ATOM 0 H SER A 61 -23.785 23.488 10.264 1.00 20.00 H new ATOM 0 HA SER A 61 -21.835 24.479 8.338 1.00 20.00 H new ATOM 0 HB2 SER A 61 -22.532 25.349 11.175 1.00 20.00 H new ATOM 0 HB3 SER A 61 -21.503 26.227 10.061 1.00 20.00 H new ATOM 0 HG SER A 61 -24.306 25.701 9.836 1.00 20.00 H new ATOM 1127 N LYS A 62 -20.932 22.295 10.294 1.00 20.00 N ATOM 1128 CA LYS A 62 -19.845 21.504 10.876 1.00 20.00 C ATOM 1129 C LYS A 62 -19.442 22.038 12.245 1.00 20.00 C ATOM 1130 O LYS A 62 -18.305 21.860 12.680 1.00 20.00 O ATOM 1131 CB LYS A 62 -18.621 21.475 9.954 1.00 20.00 C ATOM 1132 CG LYS A 62 -18.879 20.823 8.604 1.00 20.00 C ATOM 1133 CD LYS A 62 -17.618 20.786 7.754 1.00 20.00 C ATOM 1134 CE LYS A 62 -16.537 19.911 8.375 1.00 20.00 C ATOM 1135 NZ LYS A 62 -16.928 18.476 8.419 1.00 20.00 N ATOM 0 H LYS A 62 -21.792 21.767 10.149 1.00 20.00 H new ATOM 0 HA LYS A 62 -20.220 20.487 10.993 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -18.276 22.496 9.793 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -17.814 20.941 10.455 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -19.249 19.808 8.753 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -19.659 21.372 8.076 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -17.862 20.411 6.760 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -17.236 21.799 7.627 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -15.615 20.017 7.804 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -16.327 20.259 9.386 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -16.105 17.900 8.689 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -17.687 18.344 9.117 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -17.265 18.179 7.481 1.00 20.00 H new ATOM 1149 N GLN A 63 -20.377 22.683 12.925 1.00 20.00 N ATOM 1150 CA GLN A 63 -20.097 23.263 14.227 1.00 20.00 C ATOM 1151 C GLN A 63 -21.399 23.485 14.989 1.00 20.00 C ATOM 1152 O GLN A 63 -21.861 22.543 15.659 1.00 20.00 O ATOM 1153 CB GLN A 63 -19.344 24.588 14.061 1.00 20.00 C ATOM 1154 CG GLN A 63 -18.582 25.020 15.303 1.00 20.00 C ATOM 1155 CD GLN A 63 -17.420 24.097 15.615 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -17.565 23.117 16.348 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -16.257 24.399 15.056 1.00 20.00 N ATOM 1158 OXT GLN A 63 -21.961 24.592 14.903 1.00 20.00 O ATOM 0 H GLN A 63 -21.334 22.817 12.597 1.00 20.00 H new ATOM 0 HA GLN A 63 -19.471 22.575 14.796 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -18.644 24.496 13.230 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -20.056 25.369 13.793 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -18.210 26.035 15.164 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -19.263 25.044 16.154 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -16.178 25.219 14.455 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -15.441 23.811 15.227 1.00 20.00 H new TER 1167 GLN A 63