USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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 MET CE :methyl -135:sc= 0 (180deg=-1.4!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 1.07 (180deg=0.791) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -75:sc= 0.502 USER MOD Single : A 17 TYR OH : rot -145:sc= 0.158 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.147) USER MOD Single : A 32 THR OG1 : rot 74:sc= 1.03 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 89:sc= 1.17 USER MOD Single : A 50 LYS NZ :NH3+ -144:sc= 0.318 (180deg=-2.26!) USER MOD Single : A 51 ASN : amide:sc= -5.68! C(o=-5.7!,f=-16!) USER MOD Single : A 52 GLN : amide:sc= -6.24 K(o=-6.2,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 81:sc= -0.711 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1 K(o=-1,f=-0.35) USER MOD Single : A 67 GLN : amide:sc= -0.29 K(o=-0.29,f=-0.93) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.115 -2.919 1.995 1.00 0.00 N ATOM 2 CA MET A 1 -15.975 -3.681 3.269 1.00 0.00 C ATOM 3 C MET A 1 -17.353 -3.953 3.878 1.00 0.00 C ATOM 4 O MET A 1 -18.092 -3.042 4.198 1.00 0.00 O ATOM 5 CB MET A 1 -15.153 -2.775 4.186 1.00 0.00 C ATOM 6 CG MET A 1 -13.811 -3.443 4.491 1.00 0.00 C ATOM 7 SD MET A 1 -12.733 -3.323 3.043 1.00 0.00 S ATOM 8 CE MET A 1 -11.331 -4.241 3.726 1.00 0.00 C ATOM 0 H1 MET A 1 -15.173 -2.741 1.592 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.682 -3.472 1.320 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.588 -2.012 2.183 1.00 0.00 H new ATOM 0 HA MET A 1 -15.498 -4.649 3.119 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.990 -1.808 3.710 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.697 -2.587 5.112 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.340 -2.962 5.349 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.966 -4.489 4.757 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.405 -3.711 3.501 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.446 -4.329 4.806 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.297 -5.236 3.282 1.00 0.00 H new ATOM 20 N GLU A 2 -17.700 -5.198 4.044 1.00 0.00 N ATOM 21 CA GLU A 2 -19.027 -5.533 4.636 1.00 0.00 C ATOM 22 C GLU A 2 -19.126 -7.041 4.872 1.00 0.00 C ATOM 23 O GLU A 2 -19.910 -7.729 4.247 1.00 0.00 O ATOM 24 CB GLU A 2 -20.056 -5.081 3.598 1.00 0.00 C ATOM 25 CG GLU A 2 -21.461 -5.208 4.191 1.00 0.00 C ATOM 26 CD GLU A 2 -22.275 -6.203 3.362 1.00 0.00 C ATOM 27 OE1 GLU A 2 -22.587 -5.882 2.227 1.00 0.00 O ATOM 28 OE2 GLU A 2 -22.574 -7.268 3.877 1.00 0.00 O ATOM 0 H GLU A 2 -17.122 -6.001 3.795 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.186 -5.046 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -19.864 -4.049 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -19.972 -5.689 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.402 -5.543 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -21.954 -4.236 4.199 1.00 0.00 H new ATOM 35 N ILE A 3 -18.336 -7.558 5.771 1.00 0.00 N ATOM 36 CA ILE A 3 -18.379 -9.023 6.053 1.00 0.00 C ATOM 37 C ILE A 3 -17.786 -9.311 7.430 1.00 0.00 C ATOM 38 O ILE A 3 -17.176 -8.465 8.052 1.00 0.00 O ATOM 39 CB ILE A 3 -17.537 -9.676 4.947 1.00 0.00 C ATOM 40 CG1 ILE A 3 -17.309 -11.157 5.262 1.00 0.00 C ATOM 41 CG2 ILE A 3 -16.182 -8.968 4.831 1.00 0.00 C ATOM 42 CD1 ILE A 3 -16.614 -11.828 4.076 1.00 0.00 C ATOM 0 H ILE A 3 -17.661 -7.030 6.324 1.00 0.00 H new ATOM 0 HA ILE A 3 -19.398 -9.411 6.061 1.00 0.00 H new ATOM 0 HB ILE A 3 -18.075 -9.587 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -16.700 -11.259 6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -18.261 -11.648 5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -15.592 -9.438 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -16.340 -7.917 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -15.649 -9.044 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -16.451 -12.882 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -17.240 -11.737 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -15.655 -11.343 3.894 1.00 0.00 H new ATOM 54 N ASP A 4 -17.958 -10.513 7.895 1.00 0.00 N ATOM 55 CA ASP A 4 -17.409 -10.903 9.222 1.00 0.00 C ATOM 56 C ASP A 4 -17.791 -12.346 9.527 1.00 0.00 C ATOM 57 O ASP A 4 -18.942 -12.673 9.737 1.00 0.00 O ATOM 58 CB ASP A 4 -18.044 -9.973 10.248 1.00 0.00 C ATOM 59 CG ASP A 4 -19.566 -10.008 10.104 1.00 0.00 C ATOM 60 OD1 ASP A 4 -20.079 -9.282 9.269 1.00 0.00 O ATOM 61 OD2 ASP A 4 -20.192 -10.761 10.832 1.00 0.00 O ATOM 0 H ASP A 4 -18.462 -11.253 7.406 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.322 -10.825 9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -17.757 -10.277 11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -17.679 -8.956 10.106 1.00 0.00 H new ATOM 66 N GLU A 5 -16.825 -13.203 9.549 1.00 0.00 N ATOM 67 CA GLU A 5 -17.096 -14.642 9.837 1.00 0.00 C ATOM 68 C GLU A 5 -15.778 -15.406 9.989 1.00 0.00 C ATOM 69 O GLU A 5 -15.452 -16.266 9.195 1.00 0.00 O ATOM 70 CB GLU A 5 -17.876 -15.148 8.623 1.00 0.00 C ATOM 71 CG GLU A 5 -18.936 -16.153 9.081 1.00 0.00 C ATOM 72 CD GLU A 5 -18.707 -17.492 8.376 1.00 0.00 C ATOM 73 OE1 GLU A 5 -17.590 -17.980 8.423 1.00 0.00 O ATOM 74 OE2 GLU A 5 -19.652 -18.006 7.802 1.00 0.00 O ATOM 0 H GLU A 5 -15.845 -12.975 9.379 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.652 -14.782 10.764 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.350 -14.313 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -17.197 -15.618 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.884 -16.285 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.933 -15.776 8.853 1.00 0.00 H new ATOM 81 N GLY A 6 -15.017 -15.097 11.003 1.00 0.00 N ATOM 82 CA GLY A 6 -13.720 -15.802 11.210 1.00 0.00 C ATOM 83 C GLY A 6 -12.853 -15.666 9.956 1.00 0.00 C ATOM 84 O GLY A 6 -11.938 -16.435 9.738 1.00 0.00 O ATOM 0 H GLY A 6 -15.238 -14.385 11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.200 -15.382 12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.898 -16.855 11.428 1.00 0.00 H new ATOM 88 N LYS A 7 -13.125 -14.691 9.131 1.00 0.00 N ATOM 89 CA LYS A 7 -12.305 -14.510 7.900 1.00 0.00 C ATOM 90 C LYS A 7 -11.089 -13.638 8.216 1.00 0.00 C ATOM 91 O LYS A 7 -11.208 -12.594 8.827 1.00 0.00 O ATOM 92 CB LYS A 7 -13.232 -13.812 6.904 1.00 0.00 C ATOM 93 CG LYS A 7 -14.103 -14.854 6.201 1.00 0.00 C ATOM 94 CD LYS A 7 -15.057 -14.153 5.234 1.00 0.00 C ATOM 95 CE LYS A 7 -16.111 -15.148 4.746 1.00 0.00 C ATOM 96 NZ LYS A 7 -15.707 -15.475 3.349 1.00 0.00 N ATOM 0 H LYS A 7 -13.878 -14.014 9.256 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.929 -15.453 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.860 -13.087 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.645 -13.259 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.476 -15.562 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.669 -15.426 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -15.539 -13.310 5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.502 -13.750 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.132 -16.041 5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.110 -14.713 4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.472 -16.001 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.521 -14.595 2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.845 -16.057 3.364 1.00 0.00 H new ATOM 110 N TYR A 8 -9.921 -14.060 7.819 1.00 0.00 N ATOM 111 CA TYR A 8 -8.705 -13.251 8.116 1.00 0.00 C ATOM 112 C TYR A 8 -7.963 -12.889 6.827 1.00 0.00 C ATOM 113 O TYR A 8 -7.827 -13.694 5.930 1.00 0.00 O ATOM 114 CB TYR A 8 -7.833 -14.156 8.988 1.00 0.00 C ATOM 115 CG TYR A 8 -8.327 -14.113 10.412 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.551 -14.706 10.747 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.563 -13.476 11.397 1.00 0.00 C ATOM 118 CE1 TYR A 8 -10.011 -14.662 12.068 1.00 0.00 C ATOM 119 CE2 TYR A 8 -8.023 -13.432 12.719 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.248 -14.024 13.054 1.00 0.00 C ATOM 121 OH TYR A 8 -9.700 -13.980 14.356 1.00 0.00 O ATOM 0 H TYR A 8 -9.756 -14.925 7.305 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.955 -12.312 8.609 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.863 -15.179 8.613 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.794 -13.830 8.943 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.140 -15.197 9.986 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.620 -13.019 11.138 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.954 -15.120 12.327 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.434 -12.942 13.480 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.050 -13.501 14.912 1.00 0.00 H new ATOM 131 N GLU A 9 -7.471 -11.683 6.738 1.00 0.00 N ATOM 132 CA GLU A 9 -6.727 -11.274 5.515 1.00 0.00 C ATOM 133 C GLU A 9 -5.238 -11.111 5.842 1.00 0.00 C ATOM 134 O GLU A 9 -4.874 -10.629 6.897 1.00 0.00 O ATOM 135 CB GLU A 9 -7.342 -9.936 5.096 1.00 0.00 C ATOM 136 CG GLU A 9 -7.267 -8.948 6.262 1.00 0.00 C ATOM 137 CD GLU A 9 -6.710 -7.614 5.762 1.00 0.00 C ATOM 138 OE1 GLU A 9 -5.510 -7.534 5.560 1.00 0.00 O ATOM 139 OE2 GLU A 9 -7.494 -6.694 5.588 1.00 0.00 O ATOM 0 H GLU A 9 -7.552 -10.965 7.458 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.800 -12.013 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.812 -9.535 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.380 -10.080 4.794 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.257 -8.802 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.630 -9.348 7.051 1.00 0.00 H new ATOM 146 N CYS A 10 -4.373 -11.515 4.952 1.00 0.00 N ATOM 147 CA CYS A 10 -2.912 -11.383 5.221 1.00 0.00 C ATOM 148 C CYS A 10 -2.444 -9.961 4.926 1.00 0.00 C ATOM 149 O CYS A 10 -2.443 -9.524 3.792 1.00 0.00 O ATOM 150 CB CYS A 10 -2.238 -12.352 4.253 1.00 0.00 C ATOM 151 SG CYS A 10 -0.581 -12.765 4.845 1.00 0.00 S ATOM 0 H CYS A 10 -4.614 -11.930 4.052 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.673 -11.599 6.262 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.836 -13.259 4.158 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.178 -11.905 3.261 1.00 0.00 H new ATOM 156 N GLU A 11 -2.028 -9.240 5.926 1.00 0.00 N ATOM 157 CA GLU A 11 -1.540 -7.857 5.674 1.00 0.00 C ATOM 158 C GLU A 11 -0.199 -7.911 4.930 1.00 0.00 C ATOM 159 O GLU A 11 0.295 -6.912 4.448 1.00 0.00 O ATOM 160 CB GLU A 11 -1.355 -7.247 7.062 1.00 0.00 C ATOM 161 CG GLU A 11 -2.302 -6.057 7.233 1.00 0.00 C ATOM 162 CD GLU A 11 -1.484 -4.776 7.401 1.00 0.00 C ATOM 163 OE1 GLU A 11 -0.880 -4.350 6.430 1.00 0.00 O ATOM 164 OE2 GLU A 11 -1.475 -4.241 8.498 1.00 0.00 O ATOM 0 H GLU A 11 -2.004 -9.544 6.899 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.228 -7.274 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.555 -7.996 7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.322 -6.924 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.957 -5.972 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.942 -6.209 8.102 1.00 0.00 H new ATOM 171 N ALA A 12 0.398 -9.074 4.849 1.00 0.00 N ATOM 172 CA ALA A 12 1.711 -9.199 4.156 1.00 0.00 C ATOM 173 C ALA A 12 1.540 -9.385 2.643 1.00 0.00 C ATOM 174 O ALA A 12 2.275 -8.811 1.863 1.00 0.00 O ATOM 175 CB ALA A 12 2.363 -10.436 4.775 1.00 0.00 C ATOM 0 H ALA A 12 0.029 -9.943 5.235 1.00 0.00 H new ATOM 0 HA ALA A 12 2.313 -8.299 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.339 -10.600 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.485 -10.285 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.730 -11.306 4.601 1.00 0.00 H new ATOM 181 N CYS A 13 0.602 -10.192 2.208 1.00 0.00 N ATOM 182 CA CYS A 13 0.448 -10.394 0.736 1.00 0.00 C ATOM 183 C CYS A 13 -0.960 -10.003 0.260 1.00 0.00 C ATOM 184 O CYS A 13 -1.132 -9.488 -0.827 1.00 0.00 O ATOM 185 CB CYS A 13 0.760 -11.885 0.505 1.00 0.00 C ATOM 186 SG CYS A 13 -0.632 -12.933 1.008 1.00 0.00 S ATOM 0 H CYS A 13 -0.051 -10.710 2.796 1.00 0.00 H new ATOM 0 HA CYS A 13 1.119 -9.759 0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.983 -12.053 -0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.651 -12.164 1.068 1.00 0.00 H new ATOM 191 N GLY A 14 -1.963 -10.228 1.062 1.00 0.00 N ATOM 192 CA GLY A 14 -3.346 -9.850 0.641 1.00 0.00 C ATOM 193 C GLY A 14 -4.217 -11.102 0.500 1.00 0.00 C ATOM 194 O GLY A 14 -5.237 -11.088 -0.160 1.00 0.00 O ATOM 0 H GLY A 14 -1.889 -10.654 1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.785 -9.173 1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.311 -9.313 -0.307 1.00 0.00 H new ATOM 198 N TYR A 15 -3.829 -12.180 1.120 1.00 0.00 N ATOM 199 CA TYR A 15 -4.638 -13.431 1.027 1.00 0.00 C ATOM 200 C TYR A 15 -5.757 -13.406 2.073 1.00 0.00 C ATOM 201 O TYR A 15 -5.715 -12.647 3.017 1.00 0.00 O ATOM 202 CB TYR A 15 -3.648 -14.562 1.317 1.00 0.00 C ATOM 203 CG TYR A 15 -4.384 -15.880 1.390 1.00 0.00 C ATOM 204 CD1 TYR A 15 -4.899 -16.326 2.614 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.549 -16.657 0.237 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.579 -17.549 2.684 1.00 0.00 C ATOM 207 CE2 TYR A 15 -5.229 -17.879 0.307 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.744 -18.325 1.530 1.00 0.00 C ATOM 209 OH TYR A 15 -6.413 -19.529 1.599 1.00 0.00 O ATOM 0 H TYR A 15 -2.985 -12.251 1.689 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.115 -13.551 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.888 -14.602 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.130 -14.372 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.772 -15.727 3.504 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.152 -16.314 -0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.976 -17.893 3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.356 -18.478 -0.583 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.834 -20.202 2.015 1.00 0.00 H new ATOM 219 N ILE A 16 -6.757 -14.231 1.914 1.00 0.00 N ATOM 220 CA ILE A 16 -7.874 -14.248 2.905 1.00 0.00 C ATOM 221 C ILE A 16 -8.122 -15.681 3.392 1.00 0.00 C ATOM 222 O ILE A 16 -8.519 -16.545 2.637 1.00 0.00 O ATOM 223 CB ILE A 16 -9.092 -13.708 2.144 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.895 -12.216 1.860 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.359 -13.897 2.985 1.00 0.00 C ATOM 226 CD1 ILE A 16 -7.934 -12.038 0.682 1.00 0.00 C ATOM 0 H ILE A 16 -6.850 -14.893 1.143 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.656 -13.649 3.789 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.196 -14.253 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.854 -11.749 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.498 -11.717 2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.219 -13.511 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.505 -14.958 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.255 -13.357 3.926 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.796 -10.975 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.972 -12.489 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.349 -12.522 -0.202 1.00 0.00 H new ATOM 238 N TYR A 17 -7.893 -15.934 4.653 1.00 0.00 N ATOM 239 CA TYR A 17 -8.115 -17.305 5.193 1.00 0.00 C ATOM 240 C TYR A 17 -9.612 -17.552 5.410 1.00 0.00 C ATOM 241 O TYR A 17 -10.303 -16.752 6.011 1.00 0.00 O ATOM 242 CB TYR A 17 -7.358 -17.331 6.526 1.00 0.00 C ATOM 243 CG TYR A 17 -7.698 -18.592 7.291 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.103 -19.809 6.938 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.612 -18.542 8.351 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.422 -20.976 7.646 1.00 0.00 C ATOM 247 CE2 TYR A 17 -8.930 -19.708 9.058 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.335 -20.925 8.705 1.00 0.00 C ATOM 249 OH TYR A 17 -8.648 -22.073 9.402 1.00 0.00 O ATOM 0 H TYR A 17 -7.561 -15.249 5.332 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.765 -18.082 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.284 -17.284 6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.619 -16.455 7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.398 -19.849 6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.072 -17.603 8.623 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -6.963 -21.915 7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.634 -19.668 9.876 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.590 -22.046 9.671 1.00 0.00 H new ATOM 259 N GLU A 18 -10.110 -18.660 4.937 1.00 0.00 N ATOM 260 CA GLU A 18 -11.554 -18.971 5.124 1.00 0.00 C ATOM 261 C GLU A 18 -11.702 -20.126 6.126 1.00 0.00 C ATOM 262 O GLU A 18 -11.259 -21.226 5.863 1.00 0.00 O ATOM 263 CB GLU A 18 -12.052 -19.388 3.740 1.00 0.00 C ATOM 264 CG GLU A 18 -11.921 -18.206 2.776 1.00 0.00 C ATOM 265 CD GLU A 18 -13.234 -18.021 2.014 1.00 0.00 C ATOM 266 OE1 GLU A 18 -13.379 -18.629 0.967 1.00 0.00 O ATOM 267 OE2 GLU A 18 -14.073 -17.274 2.492 1.00 0.00 O ATOM 0 H GLU A 18 -9.578 -19.365 4.428 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.121 -18.127 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.474 -20.236 3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.091 -19.711 3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.678 -17.298 3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.104 -18.382 2.076 1.00 0.00 H new ATOM 274 N PRO A 19 -12.313 -19.842 7.253 1.00 0.00 N ATOM 275 CA PRO A 19 -12.496 -20.886 8.291 1.00 0.00 C ATOM 276 C PRO A 19 -13.527 -21.923 7.850 1.00 0.00 C ATOM 277 O PRO A 19 -13.217 -23.079 7.646 1.00 0.00 O ATOM 278 CB PRO A 19 -12.982 -20.105 9.507 1.00 0.00 C ATOM 279 CG PRO A 19 -13.588 -18.849 8.964 1.00 0.00 C ATOM 280 CD PRO A 19 -12.888 -18.549 7.662 1.00 0.00 C ATOM 0 HA PRO A 19 -11.584 -21.449 8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.714 -20.680 10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.158 -19.881 10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.659 -18.975 8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.464 -18.026 9.667 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.584 -18.169 6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -12.114 -17.792 7.791 1.00 0.00 H new ATOM 288 N GLU A 20 -14.747 -21.513 7.706 1.00 0.00 N ATOM 289 CA GLU A 20 -15.821 -22.461 7.281 1.00 0.00 C ATOM 290 C GLU A 20 -15.375 -23.291 6.070 1.00 0.00 C ATOM 291 O GLU A 20 -15.880 -24.369 5.831 1.00 0.00 O ATOM 292 CB GLU A 20 -17.008 -21.573 6.912 1.00 0.00 C ATOM 293 CG GLU A 20 -18.307 -22.234 7.379 1.00 0.00 C ATOM 294 CD GLU A 20 -19.169 -21.203 8.109 1.00 0.00 C ATOM 295 OE1 GLU A 20 -18.674 -20.606 9.049 1.00 0.00 O ATOM 296 OE2 GLU A 20 -20.310 -21.028 7.713 1.00 0.00 O ATOM 0 H GLU A 20 -15.057 -20.554 7.864 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.066 -23.173 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.900 -20.592 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.036 -21.415 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.850 -22.638 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.084 -23.071 8.040 1.00 0.00 H new ATOM 303 N LYS A 21 -14.442 -22.800 5.297 1.00 0.00 N ATOM 304 CA LYS A 21 -13.984 -23.573 4.105 1.00 0.00 C ATOM 305 C LYS A 21 -12.683 -24.321 4.411 1.00 0.00 C ATOM 306 O LYS A 21 -12.496 -25.452 4.006 1.00 0.00 O ATOM 307 CB LYS A 21 -13.757 -22.528 3.013 1.00 0.00 C ATOM 308 CG LYS A 21 -13.938 -23.179 1.641 1.00 0.00 C ATOM 309 CD LYS A 21 -14.790 -22.271 0.752 1.00 0.00 C ATOM 310 CE LYS A 21 -15.274 -23.058 -0.467 1.00 0.00 C ATOM 311 NZ LYS A 21 -16.628 -23.552 -0.089 1.00 0.00 N ATOM 0 H LYS A 21 -13.979 -21.902 5.438 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.713 -24.326 3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.460 -21.703 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.755 -22.108 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.967 -23.351 1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.417 -24.152 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.643 -21.890 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.207 -21.407 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.317 -22.426 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.601 -23.884 -0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.028 -24.103 -0.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.554 -24.156 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.248 -22.743 0.118 1.00 0.00 H new ATOM 325 N GLY A 22 -11.784 -23.701 5.123 1.00 0.00 N ATOM 326 CA GLY A 22 -10.497 -24.378 5.454 1.00 0.00 C ATOM 327 C GLY A 22 -9.433 -24.010 4.416 1.00 0.00 C ATOM 328 O GLY A 22 -9.728 -23.794 3.257 1.00 0.00 O ATOM 0 H GLY A 22 -11.884 -22.755 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.165 -24.081 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.639 -25.458 5.475 1.00 0.00 H new ATOM 332 N ASP A 23 -8.197 -23.941 4.828 1.00 0.00 N ATOM 333 CA ASP A 23 -7.103 -23.592 3.877 1.00 0.00 C ATOM 334 C ASP A 23 -6.623 -24.847 3.150 1.00 0.00 C ATOM 335 O ASP A 23 -5.478 -25.239 3.262 1.00 0.00 O ATOM 336 CB ASP A 23 -5.987 -23.016 4.748 1.00 0.00 C ATOM 337 CG ASP A 23 -5.314 -21.856 4.012 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.195 -21.940 2.800 1.00 0.00 O ATOM 339 OD2 ASP A 23 -4.931 -20.905 4.672 1.00 0.00 O ATOM 0 H ASP A 23 -7.896 -24.112 5.787 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.427 -22.884 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.394 -22.671 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.254 -23.789 4.977 1.00 0.00 H new ATOM 344 N LYS A 24 -7.494 -25.481 2.415 1.00 0.00 N ATOM 345 CA LYS A 24 -7.108 -26.723 1.674 1.00 0.00 C ATOM 346 C LYS A 24 -5.754 -26.548 0.973 1.00 0.00 C ATOM 347 O LYS A 24 -5.032 -27.502 0.753 1.00 0.00 O ATOM 348 CB LYS A 24 -8.219 -26.924 0.644 1.00 0.00 C ATOM 349 CG LYS A 24 -9.034 -28.166 1.008 1.00 0.00 C ATOM 350 CD LYS A 24 -8.404 -29.398 0.356 1.00 0.00 C ATOM 351 CE LYS A 24 -9.136 -30.655 0.829 1.00 0.00 C ATOM 352 NZ LYS A 24 -10.394 -30.686 0.030 1.00 0.00 N ATOM 0 H LYS A 24 -8.465 -25.193 2.293 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.000 -27.577 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.866 -26.047 0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.790 -27.036 -0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.065 -28.290 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.064 -28.050 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.461 -29.318 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.347 -29.460 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.537 -31.549 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.347 -30.612 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.209 -30.772 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.477 -29.808 -0.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.374 -31.500 -0.617 1.00 0.00 H new ATOM 366 N PHE A 25 -5.400 -25.340 0.627 1.00 0.00 N ATOM 367 CA PHE A 25 -4.090 -25.115 -0.050 1.00 0.00 C ATOM 368 C PHE A 25 -2.945 -25.366 0.935 1.00 0.00 C ATOM 369 O PHE A 25 -1.857 -25.746 0.555 1.00 0.00 O ATOM 370 CB PHE A 25 -4.110 -23.651 -0.493 1.00 0.00 C ATOM 371 CG PHE A 25 -3.073 -23.440 -1.571 1.00 0.00 C ATOM 372 CD1 PHE A 25 -1.723 -23.311 -1.227 1.00 0.00 C ATOM 373 CD2 PHE A 25 -3.463 -23.377 -2.914 1.00 0.00 C ATOM 374 CE1 PHE A 25 -0.761 -23.117 -2.227 1.00 0.00 C ATOM 375 CE2 PHE A 25 -2.501 -23.183 -3.914 1.00 0.00 C ATOM 376 CZ PHE A 25 -1.151 -23.053 -3.570 1.00 0.00 C ATOM 0 H PHE A 25 -5.959 -24.501 0.783 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.940 -25.787 -0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.099 -23.386 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.906 -22.999 0.357 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.422 -23.361 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.505 -23.478 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.281 -23.017 -1.962 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.801 -23.134 -4.950 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.410 -22.903 -4.341 1.00 0.00 H new ATOM 386 N ALA A 26 -3.188 -25.159 2.201 1.00 0.00 N ATOM 387 CA ALA A 26 -2.121 -25.391 3.214 1.00 0.00 C ATOM 388 C ALA A 26 -2.340 -26.739 3.905 1.00 0.00 C ATOM 389 O ALA A 26 -1.409 -27.378 4.353 1.00 0.00 O ATOM 390 CB ALA A 26 -2.264 -24.245 4.216 1.00 0.00 C ATOM 0 H ALA A 26 -4.081 -24.839 2.577 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.126 -25.417 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.509 -24.347 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.128 -23.293 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.257 -24.276 4.665 1.00 0.00 H new ATOM 396 N GLY A 27 -3.566 -27.178 3.987 1.00 0.00 N ATOM 397 CA GLY A 27 -3.845 -28.488 4.640 1.00 0.00 C ATOM 398 C GLY A 27 -4.829 -28.302 5.801 1.00 0.00 C ATOM 399 O GLY A 27 -4.819 -29.054 6.755 1.00 0.00 O ATOM 0 H GLY A 27 -4.386 -26.687 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.259 -29.185 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.916 -28.925 5.007 1.00 0.00 H new ATOM 403 N ILE A 28 -5.682 -27.315 5.730 1.00 0.00 N ATOM 404 CA ILE A 28 -6.662 -27.103 6.834 1.00 0.00 C ATOM 405 C ILE A 28 -8.094 -27.285 6.300 1.00 0.00 C ATOM 406 O ILE A 28 -8.510 -26.574 5.407 1.00 0.00 O ATOM 407 CB ILE A 28 -6.424 -25.662 7.294 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.078 -25.576 8.016 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.537 -25.226 8.252 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.411 -24.240 7.689 1.00 0.00 C ATOM 0 H ILE A 28 -5.742 -26.650 4.959 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.539 -27.812 7.653 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.422 -25.006 6.423 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.224 -25.669 9.092 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.435 -26.401 7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.359 -24.200 8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.499 -25.285 7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.546 -25.883 9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.452 -24.177 8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.252 -24.166 6.613 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.053 -23.423 8.018 1.00 0.00 H new ATOM 422 N PRO A 29 -8.805 -28.235 6.860 1.00 0.00 N ATOM 423 CA PRO A 29 -10.199 -28.495 6.418 1.00 0.00 C ATOM 424 C PRO A 29 -11.130 -27.369 6.883 1.00 0.00 C ATOM 425 O PRO A 29 -10.723 -26.502 7.631 1.00 0.00 O ATOM 426 CB PRO A 29 -10.554 -29.812 7.102 1.00 0.00 C ATOM 427 CG PRO A 29 -9.661 -29.877 8.299 1.00 0.00 C ATOM 428 CD PRO A 29 -8.395 -29.145 7.943 1.00 0.00 C ATOM 0 HA PRO A 29 -10.301 -28.543 5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.605 -29.836 7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.387 -30.660 6.438 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.141 -29.419 9.164 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.446 -30.912 8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.997 -28.596 8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.615 -29.832 7.614 1.00 0.00 H new ATOM 436 N PRO A 30 -12.359 -27.420 6.427 1.00 0.00 N ATOM 437 CA PRO A 30 -13.353 -26.387 6.811 1.00 0.00 C ATOM 438 C PRO A 30 -13.744 -26.548 8.281 1.00 0.00 C ATOM 439 O PRO A 30 -13.072 -27.210 9.046 1.00 0.00 O ATOM 440 CB PRO A 30 -14.544 -26.679 5.903 1.00 0.00 C ATOM 441 CG PRO A 30 -14.413 -28.126 5.561 1.00 0.00 C ATOM 442 CD PRO A 30 -12.938 -28.427 5.525 1.00 0.00 C ATOM 0 HA PRO A 30 -12.977 -25.370 6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.487 -26.476 6.409 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.522 -26.057 5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.917 -28.747 6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.876 -28.340 4.598 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.727 -29.440 5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.535 -28.340 4.516 1.00 0.00 H new ATOM 450 N GLY A 31 -14.830 -25.947 8.674 1.00 0.00 N ATOM 451 CA GLY A 31 -15.283 -26.057 10.093 1.00 0.00 C ATOM 452 C GLY A 31 -14.123 -25.729 11.039 1.00 0.00 C ATOM 453 O GLY A 31 -14.067 -26.205 12.155 1.00 0.00 O ATOM 0 H GLY A 31 -15.429 -25.381 8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.114 -25.375 10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.650 -27.064 10.289 1.00 0.00 H new ATOM 457 N THR A 32 -13.197 -24.919 10.602 1.00 0.00 N ATOM 458 CA THR A 32 -12.043 -24.566 11.480 1.00 0.00 C ATOM 459 C THR A 32 -11.823 -23.047 11.487 1.00 0.00 C ATOM 460 O THR A 32 -11.501 -22.470 10.467 1.00 0.00 O ATOM 461 CB THR A 32 -10.841 -25.274 10.853 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.039 -26.679 10.910 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.572 -24.904 11.621 1.00 0.00 C ATOM 0 H THR A 32 -13.189 -24.487 9.678 1.00 0.00 H new ATOM 0 HA THR A 32 -12.205 -24.868 12.515 1.00 0.00 H new ATOM 0 HB THR A 32 -10.737 -24.963 9.813 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.709 -26.942 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.716 -25.409 11.174 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.421 -23.825 11.576 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.673 -25.214 12.661 1.00 0.00 H new ATOM 471 N PRO A 33 -11.999 -22.440 12.637 1.00 0.00 N ATOM 472 CA PRO A 33 -11.807 -20.973 12.751 1.00 0.00 C ATOM 473 C PRO A 33 -10.318 -20.618 12.687 1.00 0.00 C ATOM 474 O PRO A 33 -9.470 -21.375 13.114 1.00 0.00 O ATOM 475 CB PRO A 33 -12.386 -20.637 14.122 1.00 0.00 C ATOM 476 CG PRO A 33 -12.287 -21.906 14.906 1.00 0.00 C ATOM 477 CD PRO A 33 -12.388 -23.043 13.922 1.00 0.00 C ATOM 0 HA PRO A 33 -12.286 -20.418 11.944 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.827 -19.833 14.600 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.420 -20.302 14.042 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.344 -21.950 15.450 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.085 -21.965 15.646 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.726 -23.865 14.193 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.399 -23.448 13.883 1.00 0.00 H new ATOM 485 N PHE A 34 -9.998 -19.468 12.158 1.00 0.00 N ATOM 486 CA PHE A 34 -8.566 -19.056 12.067 1.00 0.00 C ATOM 487 C PHE A 34 -7.903 -19.157 13.447 1.00 0.00 C ATOM 488 O PHE A 34 -6.720 -19.409 13.562 1.00 0.00 O ATOM 489 CB PHE A 34 -8.614 -17.600 11.580 1.00 0.00 C ATOM 490 CG PHE A 34 -7.257 -16.945 11.733 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.924 -16.300 12.929 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.337 -16.983 10.678 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.672 -15.691 13.073 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.084 -16.374 10.821 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.751 -15.729 12.018 1.00 0.00 C ATOM 0 H PHE A 34 -10.667 -18.795 11.784 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.984 -19.688 11.396 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.923 -17.570 10.535 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.359 -17.044 12.149 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.634 -16.272 13.742 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.593 -17.481 9.755 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.416 -15.192 13.996 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.374 -16.402 10.007 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.784 -15.261 12.128 1.00 0.00 H new ATOM 505 N VAL A 35 -8.659 -18.962 14.490 1.00 0.00 N ATOM 506 CA VAL A 35 -8.077 -19.043 15.859 1.00 0.00 C ATOM 507 C VAL A 35 -7.633 -20.477 16.176 1.00 0.00 C ATOM 508 O VAL A 35 -6.946 -20.720 17.148 1.00 0.00 O ATOM 509 CB VAL A 35 -9.211 -18.613 16.789 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.630 -17.180 16.449 1.00 0.00 C ATOM 511 CG2 VAL A 35 -10.406 -19.551 16.605 1.00 0.00 C ATOM 0 H VAL A 35 -9.656 -18.750 14.454 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.193 -18.415 15.968 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.871 -18.658 17.824 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.439 -16.871 17.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.779 -16.512 16.579 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.971 -17.136 15.415 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.215 -19.244 17.268 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.748 -19.506 15.571 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.108 -20.572 16.844 1.00 0.00 H new ATOM 521 N ASP A 36 -8.018 -21.430 15.368 1.00 0.00 N ATOM 522 CA ASP A 36 -7.612 -22.840 15.636 1.00 0.00 C ATOM 523 C ASP A 36 -6.474 -23.270 14.700 1.00 0.00 C ATOM 524 O ASP A 36 -5.974 -24.373 14.790 1.00 0.00 O ATOM 525 CB ASP A 36 -8.867 -23.670 15.363 1.00 0.00 C ATOM 526 CG ASP A 36 -8.914 -24.857 16.328 1.00 0.00 C ATOM 527 OD1 ASP A 36 -8.173 -25.801 16.111 1.00 0.00 O ATOM 528 OD2 ASP A 36 -9.690 -24.801 17.267 1.00 0.00 O ATOM 0 H ASP A 36 -8.594 -21.293 14.537 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.243 -22.969 16.653 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.757 -23.053 15.485 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.864 -24.025 14.333 1.00 0.00 H new ATOM 533 N LEU A 37 -6.059 -22.415 13.801 1.00 0.00 N ATOM 534 CA LEU A 37 -4.955 -22.794 12.871 1.00 0.00 C ATOM 535 C LEU A 37 -3.751 -23.316 13.660 1.00 0.00 C ATOM 536 O LEU A 37 -3.720 -23.262 14.873 1.00 0.00 O ATOM 537 CB LEU A 37 -4.593 -21.501 12.135 1.00 0.00 C ATOM 538 CG LEU A 37 -5.585 -21.260 10.994 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.203 -19.981 10.249 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.549 -22.442 10.024 1.00 0.00 C ATOM 0 H LEU A 37 -6.435 -21.476 13.671 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.251 -23.586 12.183 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.610 -20.660 12.828 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.579 -21.568 11.740 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.590 -21.158 11.404 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.909 -19.809 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.230 -19.137 10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.198 -20.084 9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.256 -22.268 9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.544 -22.546 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.821 -23.355 10.553 1.00 0.00 H new ATOM 552 N SER A 38 -2.759 -23.822 12.980 1.00 0.00 N ATOM 553 CA SER A 38 -1.559 -24.349 13.692 1.00 0.00 C ATOM 554 C SER A 38 -0.838 -23.215 14.425 1.00 0.00 C ATOM 555 O SER A 38 -0.880 -22.071 14.016 1.00 0.00 O ATOM 556 CB SER A 38 -0.670 -24.931 12.591 1.00 0.00 C ATOM 557 OG SER A 38 -1.444 -25.784 11.760 1.00 0.00 O ATOM 0 H SER A 38 -2.727 -23.894 11.963 1.00 0.00 H new ATOM 0 HA SER A 38 -1.818 -25.095 14.443 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.233 -24.127 11.999 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.157 -25.488 13.032 1.00 0.00 H new ATOM 0 HG SER A 38 -0.876 -26.156 11.053 1.00 0.00 H new ATOM 563 N ASP A 39 -0.176 -23.524 15.508 1.00 0.00 N ATOM 564 CA ASP A 39 0.548 -22.466 16.270 1.00 0.00 C ATOM 565 C ASP A 39 1.566 -21.765 15.366 1.00 0.00 C ATOM 566 O ASP A 39 1.974 -20.649 15.622 1.00 0.00 O ATOM 567 CB ASP A 39 1.255 -23.209 17.403 1.00 0.00 C ATOM 568 CG ASP A 39 1.213 -22.361 18.677 1.00 0.00 C ATOM 569 OD1 ASP A 39 1.933 -21.378 18.734 1.00 0.00 O ATOM 570 OD2 ASP A 39 0.461 -22.709 19.572 1.00 0.00 O ATOM 0 H ASP A 39 -0.105 -24.464 15.898 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.123 -21.694 16.646 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.772 -24.171 17.578 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.289 -23.417 17.126 1.00 0.00 H new ATOM 575 N SER A 40 1.978 -22.411 14.310 1.00 0.00 N ATOM 576 CA SER A 40 2.968 -21.785 13.389 1.00 0.00 C ATOM 577 C SER A 40 2.467 -21.876 11.945 1.00 0.00 C ATOM 578 O SER A 40 3.226 -22.109 11.026 1.00 0.00 O ATOM 579 CB SER A 40 4.247 -22.602 13.567 1.00 0.00 C ATOM 580 OG SER A 40 3.913 -23.970 13.748 1.00 0.00 O ATOM 0 H SER A 40 1.671 -23.347 14.045 1.00 0.00 H new ATOM 0 HA SER A 40 3.129 -20.729 13.606 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.890 -22.486 12.694 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.808 -22.237 14.427 1.00 0.00 H new ATOM 0 HG SER A 40 4.733 -24.495 13.860 1.00 0.00 H new ATOM 586 N PHE A 41 1.189 -21.700 11.741 1.00 0.00 N ATOM 587 CA PHE A 41 0.634 -21.780 10.361 1.00 0.00 C ATOM 588 C PHE A 41 1.277 -20.714 9.465 1.00 0.00 C ATOM 589 O PHE A 41 1.417 -19.568 9.845 1.00 0.00 O ATOM 590 CB PHE A 41 -0.875 -21.533 10.532 1.00 0.00 C ATOM 591 CG PHE A 41 -1.511 -21.204 9.197 1.00 0.00 C ATOM 592 CD1 PHE A 41 -1.938 -22.232 8.349 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.667 -19.867 8.810 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.520 -21.924 7.112 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.250 -19.559 7.575 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.677 -20.587 6.727 1.00 0.00 C ATOM 0 H PHE A 41 0.505 -21.504 12.472 1.00 0.00 H new ATOM 0 HA PHE A 41 0.833 -22.739 9.883 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.348 -22.417 10.960 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.039 -20.714 11.232 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.819 -23.263 8.648 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.337 -19.074 9.464 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.847 -22.717 6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.370 -18.528 7.277 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.128 -20.349 5.775 1.00 0.00 H new ATOM 606 N MET A 42 1.653 -21.084 8.271 1.00 0.00 N ATOM 607 CA MET A 42 2.269 -20.099 7.339 1.00 0.00 C ATOM 608 C MET A 42 1.297 -19.798 6.196 1.00 0.00 C ATOM 609 O MET A 42 0.506 -20.634 5.806 1.00 0.00 O ATOM 610 CB MET A 42 3.530 -20.782 6.806 1.00 0.00 C ATOM 611 CG MET A 42 4.443 -21.158 7.977 1.00 0.00 C ATOM 612 SD MET A 42 6.070 -20.394 7.752 1.00 0.00 S ATOM 613 CE MET A 42 6.119 -19.496 9.322 1.00 0.00 C ATOM 0 H MET A 42 1.559 -22.030 7.900 1.00 0.00 H new ATOM 0 HA MET A 42 2.502 -19.153 7.827 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.261 -21.674 6.240 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.055 -20.116 6.121 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.001 -20.826 8.916 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.545 -22.242 8.038 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.056 -18.943 9.396 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.282 -18.799 9.369 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.049 -20.204 10.148 1.00 0.00 H new ATOM 623 N CYS A 43 1.343 -18.612 5.658 1.00 0.00 N ATOM 624 CA CYS A 43 0.414 -18.265 4.544 1.00 0.00 C ATOM 625 C CYS A 43 0.649 -19.187 3.341 1.00 0.00 C ATOM 626 O CYS A 43 1.780 -19.446 2.981 1.00 0.00 O ATOM 627 CB CYS A 43 0.761 -16.826 4.177 1.00 0.00 C ATOM 628 SG CYS A 43 -0.516 -16.151 3.089 1.00 0.00 S ATOM 0 H CYS A 43 1.982 -17.868 5.940 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.631 -18.379 4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.842 -16.220 5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.731 -16.791 3.681 1.00 0.00 H new ATOM 633 N PRO A 44 -0.425 -19.644 2.744 1.00 0.00 N ATOM 634 CA PRO A 44 -0.307 -20.531 1.564 1.00 0.00 C ATOM 635 C PRO A 44 0.072 -19.716 0.319 1.00 0.00 C ATOM 636 O PRO A 44 0.274 -20.260 -0.748 1.00 0.00 O ATOM 637 CB PRO A 44 -1.706 -21.121 1.416 1.00 0.00 C ATOM 638 CG PRO A 44 -2.622 -20.125 2.056 1.00 0.00 C ATOM 639 CD PRO A 44 -1.828 -19.388 3.105 1.00 0.00 C ATOM 0 HA PRO A 44 0.463 -21.294 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.960 -21.273 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.777 -22.093 1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.013 -19.430 1.312 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.479 -20.626 2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.053 -18.321 3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.055 -19.755 4.106 1.00 0.00 H new ATOM 647 N ALA A 45 0.165 -18.415 0.443 1.00 0.00 N ATOM 648 CA ALA A 45 0.523 -17.577 -0.737 1.00 0.00 C ATOM 649 C ALA A 45 1.853 -16.856 -0.503 1.00 0.00 C ATOM 650 O ALA A 45 2.662 -16.726 -1.399 1.00 0.00 O ATOM 651 CB ALA A 45 -0.617 -16.567 -0.862 1.00 0.00 C ATOM 0 H ALA A 45 0.008 -17.900 1.310 1.00 0.00 H new ATOM 0 HA ALA A 45 0.646 -18.174 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.429 -15.910 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.557 -17.097 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.679 -15.973 0.050 1.00 0.00 H new ATOM 657 N CYS A 46 2.085 -16.383 0.689 1.00 0.00 N ATOM 658 CA CYS A 46 3.366 -15.669 0.962 1.00 0.00 C ATOM 659 C CYS A 46 4.121 -16.320 2.145 1.00 0.00 C ATOM 660 O CYS A 46 5.120 -15.810 2.612 1.00 0.00 O ATOM 661 CB CYS A 46 2.949 -14.200 1.218 1.00 0.00 C ATOM 662 SG CYS A 46 2.574 -13.879 2.964 1.00 0.00 S ATOM 0 H CYS A 46 1.449 -16.458 1.483 1.00 0.00 H new ATOM 0 HA CYS A 46 4.074 -15.724 0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.751 -13.536 0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.074 -13.963 0.612 1.00 0.00 H new ATOM 667 N ARG A 47 3.662 -17.461 2.600 1.00 0.00 N ATOM 668 CA ARG A 47 4.353 -18.186 3.717 1.00 0.00 C ATOM 669 C ARG A 47 4.550 -17.314 4.966 1.00 0.00 C ATOM 670 O ARG A 47 5.326 -17.653 5.838 1.00 0.00 O ATOM 671 CB ARG A 47 5.708 -18.593 3.139 1.00 0.00 C ATOM 672 CG ARG A 47 6.276 -19.763 3.948 1.00 0.00 C ATOM 673 CD ARG A 47 6.796 -20.839 2.994 1.00 0.00 C ATOM 674 NE ARG A 47 6.662 -22.116 3.750 1.00 0.00 N ATOM 675 CZ ARG A 47 6.584 -23.250 3.109 1.00 0.00 C ATOM 676 NH1 ARG A 47 7.659 -23.966 2.920 1.00 0.00 N ATOM 677 NH2 ARG A 47 5.433 -23.667 2.658 1.00 0.00 N ATOM 0 H ARG A 47 2.829 -17.927 2.242 1.00 0.00 H new ATOM 0 HA ARG A 47 3.754 -19.033 4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.598 -18.879 2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.396 -17.748 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.082 -19.415 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.505 -20.179 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.216 -20.863 2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.833 -20.652 2.714 1.00 0.00 H new ATOM 0 HE ARG A 47 6.631 -22.104 4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.558 -23.639 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.600 -24.853 2.419 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.594 -23.107 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.372 -24.553 2.157 1.00 0.00 H new ATOM 691 N SER A 48 3.863 -16.211 5.080 1.00 0.00 N ATOM 692 CA SER A 48 4.038 -15.366 6.300 1.00 0.00 C ATOM 693 C SER A 48 3.495 -16.108 7.526 1.00 0.00 C ATOM 694 O SER A 48 2.783 -17.081 7.390 1.00 0.00 O ATOM 695 CB SER A 48 3.222 -14.099 6.048 1.00 0.00 C ATOM 696 OG SER A 48 4.002 -13.172 5.307 1.00 0.00 O ATOM 0 H SER A 48 3.196 -15.860 4.393 1.00 0.00 H new ATOM 0 HA SER A 48 5.087 -15.136 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.311 -14.343 5.501 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.916 -13.657 6.996 1.00 0.00 H new ATOM 0 HG SER A 48 3.873 -13.328 4.348 1.00 0.00 H new ATOM 702 N PRO A 49 3.847 -15.623 8.690 1.00 0.00 N ATOM 703 CA PRO A 49 3.378 -16.258 9.946 1.00 0.00 C ATOM 704 C PRO A 49 1.874 -16.029 10.134 1.00 0.00 C ATOM 705 O PRO A 49 1.346 -14.994 9.786 1.00 0.00 O ATOM 706 CB PRO A 49 4.181 -15.544 11.030 1.00 0.00 C ATOM 707 CG PRO A 49 4.549 -14.226 10.429 1.00 0.00 C ATOM 708 CD PRO A 49 4.698 -14.451 8.949 1.00 0.00 C ATOM 0 HA PRO A 49 3.522 -17.338 9.960 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.591 -15.414 11.938 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.068 -16.114 11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.780 -13.480 10.631 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.478 -13.851 10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.370 -13.583 8.377 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.736 -14.641 8.675 1.00 0.00 H new ATOM 716 N LYS A 50 1.181 -16.991 10.677 1.00 0.00 N ATOM 717 CA LYS A 50 -0.288 -16.829 10.879 1.00 0.00 C ATOM 718 C LYS A 50 -0.586 -15.546 11.651 1.00 0.00 C ATOM 719 O LYS A 50 -1.602 -14.911 11.440 1.00 0.00 O ATOM 720 CB LYS A 50 -0.712 -18.061 11.681 1.00 0.00 C ATOM 721 CG LYS A 50 -2.234 -18.072 11.837 1.00 0.00 C ATOM 722 CD LYS A 50 -2.605 -18.780 13.142 1.00 0.00 C ATOM 723 CE LYS A 50 -4.027 -18.390 13.548 1.00 0.00 C ATOM 724 NZ LYS A 50 -4.346 -19.253 14.722 1.00 0.00 N ATOM 0 H LYS A 50 1.567 -17.882 10.990 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.829 -16.751 9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.381 -18.968 11.175 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.236 -18.051 12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.618 -17.052 11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.694 -18.581 10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.535 -19.860 13.015 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.903 -18.506 13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.087 -17.333 13.808 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.730 -18.558 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.350 -19.524 14.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.756 -20.109 14.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.155 -18.729 15.600 1.00 0.00 H new ATOM 738 N ASN A 51 0.287 -15.145 12.533 1.00 0.00 N ATOM 739 CA ASN A 51 0.032 -13.888 13.290 1.00 0.00 C ATOM 740 C ASN A 51 -0.004 -12.701 12.324 1.00 0.00 C ATOM 741 O ASN A 51 -0.466 -11.629 12.664 1.00 0.00 O ATOM 742 CB ASN A 51 1.192 -13.757 14.279 1.00 0.00 C ATOM 743 CG ASN A 51 2.523 -13.846 13.532 1.00 0.00 C ATOM 744 OD1 ASN A 51 2.686 -13.250 12.486 1.00 0.00 O ATOM 745 ND2 ASN A 51 3.489 -14.567 14.031 1.00 0.00 N ATOM 0 H ASN A 51 1.157 -15.627 12.761 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.925 -13.906 13.811 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.125 -12.807 14.809 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.133 -14.545 15.030 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.382 -14.631 13.543 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.351 -15.067 14.909 1.00 0.00 H new ATOM 752 N GLN A 52 0.460 -12.883 11.115 1.00 0.00 N ATOM 753 CA GLN A 52 0.425 -11.765 10.134 1.00 0.00 C ATOM 754 C GLN A 52 -0.979 -11.656 9.521 1.00 0.00 C ATOM 755 O GLN A 52 -1.283 -10.721 8.800 1.00 0.00 O ATOM 756 CB GLN A 52 1.460 -12.132 9.068 1.00 0.00 C ATOM 757 CG GLN A 52 2.398 -10.946 8.840 1.00 0.00 C ATOM 758 CD GLN A 52 1.584 -9.735 8.382 1.00 0.00 C ATOM 759 OE1 GLN A 52 1.739 -8.650 8.906 1.00 0.00 O ATOM 760 NE2 GLN A 52 0.714 -9.879 7.423 1.00 0.00 N ATOM 0 H GLN A 52 0.860 -13.755 10.768 1.00 0.00 H new ATOM 0 HA GLN A 52 0.649 -10.801 10.591 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.030 -13.005 9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.960 -12.399 8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.935 -10.711 9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.147 -11.200 8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.585 -10.791 6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.162 -9.080 7.111 1.00 0.00 H new ATOM 769 N PHE A 53 -1.844 -12.601 9.807 1.00 0.00 N ATOM 770 CA PHE A 53 -3.222 -12.532 9.248 1.00 0.00 C ATOM 771 C PHE A 53 -4.082 -11.612 10.112 1.00 0.00 C ATOM 772 O PHE A 53 -4.211 -11.808 11.305 1.00 0.00 O ATOM 773 CB PHE A 53 -3.767 -13.958 9.314 1.00 0.00 C ATOM 774 CG PHE A 53 -3.262 -14.764 8.138 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.889 -14.845 7.872 1.00 0.00 C ATOM 776 CD2 PHE A 53 -4.174 -15.432 7.312 1.00 0.00 C ATOM 777 CE1 PHE A 53 -1.431 -15.596 6.784 1.00 0.00 C ATOM 778 CE2 PHE A 53 -3.715 -16.181 6.223 1.00 0.00 C ATOM 779 CZ PHE A 53 -2.343 -16.264 5.959 1.00 0.00 C ATOM 0 H PHE A 53 -1.653 -13.409 10.399 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.228 -12.142 8.230 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.459 -14.430 10.247 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.857 -13.939 9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.184 -14.328 8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.233 -15.369 7.516 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.372 -15.660 6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.419 -16.695 5.586 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.988 -16.843 5.119 1.00 0.00 H new ATOM 789 N LYS A 54 -4.679 -10.618 9.526 1.00 0.00 N ATOM 790 CA LYS A 54 -5.537 -9.699 10.322 1.00 0.00 C ATOM 791 C LYS A 54 -7.009 -10.013 10.054 1.00 0.00 C ATOM 792 O LYS A 54 -7.456 -10.005 8.925 1.00 0.00 O ATOM 793 CB LYS A 54 -5.188 -8.294 9.830 1.00 0.00 C ATOM 794 CG LYS A 54 -5.970 -7.263 10.647 1.00 0.00 C ATOM 795 CD LYS A 54 -6.425 -6.122 9.734 1.00 0.00 C ATOM 796 CE LYS A 54 -6.125 -4.782 10.408 1.00 0.00 C ATOM 797 NZ LYS A 54 -7.432 -4.341 10.973 1.00 0.00 N ATOM 0 H LYS A 54 -4.612 -10.400 8.532 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.373 -9.799 11.395 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.117 -8.117 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.430 -8.196 8.772 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.834 -7.735 11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.346 -6.872 11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.911 -6.182 8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.492 -6.208 9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.373 -4.891 11.189 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.738 -4.057 9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.312 -3.427 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.126 -4.240 10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.772 -5.049 11.655 1.00 0.00 H new ATOM 811 N SER A 55 -7.767 -10.298 11.077 1.00 0.00 N ATOM 812 CA SER A 55 -9.207 -10.615 10.861 1.00 0.00 C ATOM 813 C SER A 55 -9.872 -9.516 10.031 1.00 0.00 C ATOM 814 O SER A 55 -9.249 -8.549 9.642 1.00 0.00 O ATOM 815 CB SER A 55 -9.825 -10.676 12.257 1.00 0.00 C ATOM 816 OG SER A 55 -11.217 -10.404 12.172 1.00 0.00 O ATOM 0 H SER A 55 -7.454 -10.325 12.047 1.00 0.00 H new ATOM 0 HA SER A 55 -9.340 -11.551 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.662 -11.661 12.695 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.342 -9.951 12.912 1.00 0.00 H new ATOM 0 HG SER A 55 -11.692 -11.215 11.895 1.00 0.00 H new ATOM 822 N ILE A 56 -11.134 -9.661 9.764 1.00 0.00 N ATOM 823 CA ILE A 56 -11.853 -8.629 8.959 1.00 0.00 C ATOM 824 C ILE A 56 -13.359 -8.717 9.218 1.00 0.00 C ATOM 825 O ILE A 56 -14.129 -9.075 8.349 1.00 0.00 O ATOM 826 CB ILE A 56 -11.534 -8.970 7.503 1.00 0.00 C ATOM 827 CG1 ILE A 56 -12.215 -7.956 6.580 1.00 0.00 C ATOM 828 CG2 ILE A 56 -12.045 -10.376 7.184 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.362 -7.758 5.323 1.00 0.00 C ATOM 0 H ILE A 56 -11.705 -10.450 10.067 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.546 -7.615 9.214 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.456 -8.933 7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -13.210 -8.308 6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.345 -7.006 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.818 -10.619 6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.559 -11.098 7.841 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.123 -10.415 7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.846 -7.036 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.377 -7.387 5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -11.255 -8.709 4.802 1.00 0.00 H new ATOM 841 N LYS A 57 -13.781 -8.394 10.410 1.00 0.00 N ATOM 842 CA LYS A 57 -15.237 -8.459 10.727 1.00 0.00 C ATOM 843 C LYS A 57 -15.843 -7.054 10.717 1.00 0.00 C ATOM 844 O LYS A 57 -16.350 -6.578 11.713 1.00 0.00 O ATOM 845 CB LYS A 57 -15.309 -9.067 12.129 1.00 0.00 C ATOM 846 CG LYS A 57 -14.499 -8.210 13.104 1.00 0.00 C ATOM 847 CD LYS A 57 -15.317 -7.972 14.374 1.00 0.00 C ATOM 848 CE LYS A 57 -14.394 -8.038 15.592 1.00 0.00 C ATOM 849 NZ LYS A 57 -14.705 -6.805 16.370 1.00 0.00 N ATOM 0 H LYS A 57 -13.182 -8.088 11.177 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.794 -9.048 9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.347 -9.127 12.457 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.920 -10.085 12.115 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.561 -8.708 13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.242 -7.258 12.641 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.807 -6.999 14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.104 -8.722 14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.580 -8.936 16.182 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.346 -8.064 15.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.112 -6.775 17.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.512 -5.967 15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.708 -6.812 16.645 1.00 0.00 H new ATOM 863 N LYS A 58 -15.796 -6.387 9.596 1.00 0.00 N ATOM 864 CA LYS A 58 -16.370 -5.013 9.520 1.00 0.00 C ATOM 865 C LYS A 58 -17.688 -5.036 8.742 1.00 0.00 C ATOM 866 O LYS A 58 -17.750 -5.497 7.620 1.00 0.00 O ATOM 867 CB LYS A 58 -15.322 -4.185 8.778 1.00 0.00 C ATOM 868 CG LYS A 58 -14.589 -3.282 9.773 1.00 0.00 C ATOM 869 CD LYS A 58 -14.928 -1.820 9.480 1.00 0.00 C ATOM 870 CE LYS A 58 -13.800 -0.923 9.996 1.00 0.00 C ATOM 871 NZ LYS A 58 -14.254 0.466 9.707 1.00 0.00 N ATOM 0 H LYS A 58 -15.385 -6.734 8.729 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.589 -4.601 10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.612 -4.842 8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.799 -3.582 8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.878 -3.536 10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.513 -3.439 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.062 -1.674 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.870 -1.551 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.634 -1.071 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.858 -1.144 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.533 1.142 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.397 0.578 8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.149 0.649 10.204 1.00 0.00 H new ATOM 885 N VAL A 59 -18.742 -4.540 9.330 1.00 0.00 N ATOM 886 CA VAL A 59 -20.055 -4.533 8.623 1.00 0.00 C ATOM 887 C VAL A 59 -20.746 -3.180 8.809 1.00 0.00 C ATOM 888 O VAL A 59 -20.590 -2.527 9.821 1.00 0.00 O ATOM 889 CB VAL A 59 -20.867 -5.649 9.284 1.00 0.00 C ATOM 890 CG1 VAL A 59 -20.961 -5.392 10.790 1.00 0.00 C ATOM 891 CG2 VAL A 59 -22.274 -5.682 8.682 1.00 0.00 C ATOM 0 H VAL A 59 -18.751 -4.140 10.268 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.949 -4.690 7.550 1.00 0.00 H new ATOM 0 HB VAL A 59 -20.375 -6.606 9.111 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.540 -6.188 11.259 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -19.959 -5.371 11.219 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -21.451 -4.435 10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -22.853 -6.477 9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -22.766 -4.725 8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -22.207 -5.868 7.610 1.00 0.00 H new ATOM 901 N ILE A 60 -21.506 -2.752 7.839 1.00 0.00 N ATOM 902 CA ILE A 60 -22.205 -1.440 7.962 1.00 0.00 C ATOM 903 C ILE A 60 -23.653 -1.564 7.483 1.00 0.00 C ATOM 904 O ILE A 60 -24.127 -0.773 6.693 1.00 0.00 O ATOM 905 CB ILE A 60 -21.421 -0.486 7.058 1.00 0.00 C ATOM 906 CG1 ILE A 60 -22.076 0.899 7.087 1.00 0.00 C ATOM 907 CG2 ILE A 60 -21.427 -1.022 5.625 1.00 0.00 C ATOM 908 CD1 ILE A 60 -21.133 1.898 7.763 1.00 0.00 C ATOM 0 H ILE A 60 -21.674 -3.253 6.967 1.00 0.00 H new ATOM 0 HA ILE A 60 -22.241 -1.088 8.993 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.394 -0.410 7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -22.303 1.227 6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -23.022 0.854 7.626 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.869 -0.343 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -20.962 -2.008 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.454 -1.098 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.600 2.883 7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.929 1.572 8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.198 1.951 7.205 1.00 0.00 H new ATOM 920 N ALA A 61 -24.361 -2.553 7.957 1.00 0.00 N ATOM 921 CA ALA A 61 -25.778 -2.727 7.529 1.00 0.00 C ATOM 922 C ALA A 61 -26.688 -2.871 8.752 1.00 0.00 C ATOM 923 O ALA A 61 -27.779 -3.399 8.667 1.00 0.00 O ATOM 924 CB ALA A 61 -25.788 -4.012 6.701 1.00 0.00 C ATOM 0 H ALA A 61 -24.020 -3.247 8.622 1.00 0.00 H new ATOM 0 HA ALA A 61 -26.144 -1.872 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -26.800 -4.210 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -25.121 -3.899 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -25.450 -4.845 7.318 1.00 0.00 H new ATOM 930 N GLY A 62 -26.247 -2.406 9.890 1.00 0.00 N ATOM 931 CA GLY A 62 -27.088 -2.519 11.115 1.00 0.00 C ATOM 932 C GLY A 62 -26.215 -2.318 12.355 1.00 0.00 C ATOM 933 O GLY A 62 -25.171 -2.925 12.496 1.00 0.00 O ATOM 0 H GLY A 62 -25.343 -1.954 10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -27.883 -1.774 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -27.568 -3.497 11.150 1.00 0.00 H new ATOM 937 N PHE A 63 -26.634 -1.472 13.257 1.00 0.00 N ATOM 938 CA PHE A 63 -25.828 -1.234 14.488 1.00 0.00 C ATOM 939 C PHE A 63 -26.608 -1.678 15.728 1.00 0.00 C ATOM 940 O PHE A 63 -27.795 -1.444 15.846 1.00 0.00 O ATOM 941 CB PHE A 63 -25.588 0.275 14.520 1.00 0.00 C ATOM 942 CG PHE A 63 -24.151 0.562 14.157 1.00 0.00 C ATOM 943 CD1 PHE A 63 -23.650 0.157 12.914 1.00 0.00 C ATOM 944 CD2 PHE A 63 -23.319 1.231 15.062 1.00 0.00 C ATOM 945 CE1 PHE A 63 -22.318 0.422 12.577 1.00 0.00 C ATOM 946 CE2 PHE A 63 -21.986 1.495 14.726 1.00 0.00 C ATOM 947 CZ PHE A 63 -21.485 1.091 13.483 1.00 0.00 C ATOM 0 H PHE A 63 -27.499 -0.936 13.194 1.00 0.00 H new ATOM 0 HA PHE A 63 -24.894 -1.796 14.483 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -26.258 0.776 13.821 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -25.810 0.669 15.512 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -24.291 -0.360 12.215 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -23.706 1.544 16.021 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -21.932 0.111 11.618 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -21.344 2.010 15.426 1.00 0.00 H new ATOM 0 HZ PHE A 63 -20.457 1.295 13.223 1.00 0.00 H new ATOM 957 N ALA A 64 -25.949 -2.315 16.656 1.00 0.00 N ATOM 958 CA ALA A 64 -26.651 -2.772 17.890 1.00 0.00 C ATOM 959 C ALA A 64 -25.987 -2.169 19.131 1.00 0.00 C ATOM 960 O ALA A 64 -26.138 -2.664 20.230 1.00 0.00 O ATOM 961 CB ALA A 64 -26.503 -4.295 17.890 1.00 0.00 C ATOM 0 H ALA A 64 -24.955 -2.539 16.614 1.00 0.00 H new ATOM 0 HA ALA A 64 -27.696 -2.464 17.908 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -26.995 -4.708 18.770 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -26.963 -4.705 16.991 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -25.445 -4.558 17.909 1.00 0.00 H new ATOM 967 N GLU A 65 -25.252 -1.101 18.966 1.00 0.00 N ATOM 968 CA GLU A 65 -24.580 -0.470 20.138 1.00 0.00 C ATOM 969 C GLU A 65 -24.721 1.055 20.080 1.00 0.00 C ATOM 970 O GLU A 65 -24.004 1.777 20.744 1.00 0.00 O ATOM 971 CB GLU A 65 -23.111 -0.879 20.018 1.00 0.00 C ATOM 972 CG GLU A 65 -22.527 -0.310 18.723 1.00 0.00 C ATOM 973 CD GLU A 65 -22.094 -1.459 17.809 1.00 0.00 C ATOM 974 OE1 GLU A 65 -22.935 -1.960 17.082 1.00 0.00 O ATOM 975 OE2 GLU A 65 -20.928 -1.816 17.853 1.00 0.00 O ATOM 0 H GLU A 65 -25.089 -0.639 18.071 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.018 -0.789 21.084 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -22.549 -0.510 20.876 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -23.023 -1.965 20.022 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -23.268 0.310 18.219 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -21.675 0.331 18.947 1.00 0.00 H new ATOM 982 N ASN A 66 -25.638 1.552 19.294 1.00 0.00 N ATOM 983 CA ASN A 66 -25.818 3.030 19.201 1.00 0.00 C ATOM 984 C ASN A 66 -27.202 3.358 18.636 1.00 0.00 C ATOM 985 O ASN A 66 -27.895 4.226 19.129 1.00 0.00 O ATOM 986 CB ASN A 66 -24.720 3.505 18.248 1.00 0.00 C ATOM 987 CG ASN A 66 -23.622 4.212 19.046 1.00 0.00 C ATOM 988 OD1 ASN A 66 -23.736 5.383 19.353 1.00 0.00 O ATOM 989 ND2 ASN A 66 -22.557 3.546 19.396 1.00 0.00 N ATOM 0 H ASN A 66 -26.269 1.000 18.713 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.749 3.517 20.174 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -24.302 2.657 17.706 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.138 4.183 17.504 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -21.819 4.007 19.928 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -22.462 2.564 19.138 1.00 0.00 H new ATOM 996 N GLN A 67 -27.610 2.669 17.606 1.00 0.00 N ATOM 997 CA GLN A 67 -28.951 2.939 17.012 1.00 0.00 C ATOM 998 C GLN A 67 -29.823 1.683 17.088 1.00 0.00 C ATOM 999 O GLN A 67 -29.450 0.693 17.684 1.00 0.00 O ATOM 1000 CB GLN A 67 -28.671 3.315 15.556 1.00 0.00 C ATOM 1001 CG GLN A 67 -29.306 4.672 15.247 1.00 0.00 C ATOM 1002 CD GLN A 67 -28.206 5.705 14.990 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -27.195 5.396 14.389 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -28.360 6.926 15.421 1.00 0.00 N ATOM 0 H GLN A 67 -27.074 1.931 17.150 1.00 0.00 H new ATOM 0 HA GLN A 67 -29.487 3.729 17.539 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.596 3.356 15.381 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -29.074 2.553 14.889 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -29.955 4.591 14.375 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -29.931 4.991 16.081 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -29.208 7.186 15.925 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -27.633 7.621 15.254 1.00 0.00 H new ATOM 1013 N LYS A 68 -30.982 1.716 16.489 1.00 0.00 N ATOM 1014 CA LYS A 68 -31.875 0.523 16.531 1.00 0.00 C ATOM 1015 C LYS A 68 -33.023 0.687 15.532 1.00 0.00 C ATOM 1016 O LYS A 68 -33.099 1.664 14.814 1.00 0.00 O ATOM 1017 CB LYS A 68 -32.414 0.482 17.962 1.00 0.00 C ATOM 1018 CG LYS A 68 -31.941 -0.799 18.650 1.00 0.00 C ATOM 1019 CD LYS A 68 -32.984 -1.901 18.448 1.00 0.00 C ATOM 1020 CE LYS A 68 -32.970 -2.844 19.653 1.00 0.00 C ATOM 1021 NZ LYS A 68 -33.944 -2.253 20.613 1.00 0.00 N ATOM 0 H LYS A 68 -31.349 2.516 15.973 1.00 0.00 H new ATOM 0 HA LYS A 68 -31.350 -0.395 16.266 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -32.068 1.354 18.517 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -33.503 0.521 17.953 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -30.981 -1.112 18.239 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -31.789 -0.618 19.714 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -33.974 -1.462 18.328 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -32.769 -2.457 17.535 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -33.261 -3.855 19.367 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -31.974 -2.911 20.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -33.991 -2.844 21.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -33.638 -1.294 20.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -34.884 -2.209 20.171 1.00 0.00 H new ATOM 1035 N TYR A 69 -33.917 -0.262 15.480 1.00 0.00 N ATOM 1036 CA TYR A 69 -35.059 -0.159 14.527 1.00 0.00 C ATOM 1037 C TYR A 69 -36.385 -0.163 15.291 1.00 0.00 C ATOM 1038 O TYR A 69 -36.776 -1.156 15.873 1.00 0.00 O ATOM 1039 CB TYR A 69 -34.949 -1.397 13.637 1.00 0.00 C ATOM 1040 CG TYR A 69 -35.381 -1.045 12.234 1.00 0.00 C ATOM 1041 CD1 TYR A 69 -34.493 -0.391 11.372 1.00 0.00 C ATOM 1042 CD2 TYR A 69 -36.670 -1.370 11.796 1.00 0.00 C ATOM 1043 CE1 TYR A 69 -34.893 -0.063 10.072 1.00 0.00 C ATOM 1044 CE2 TYR A 69 -37.071 -1.042 10.496 1.00 0.00 C ATOM 1045 CZ TYR A 69 -36.183 -0.388 9.632 1.00 0.00 C ATOM 1046 OH TYR A 69 -36.580 -0.065 8.349 1.00 0.00 O ATOM 0 H TYR A 69 -33.906 -1.104 16.056 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.029 0.763 13.946 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.923 -1.765 13.632 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -35.573 -2.199 14.031 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -33.499 -0.139 11.711 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -37.355 -1.874 12.461 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -34.207 0.441 9.407 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -38.066 -1.293 10.159 1.00 0.00 H new ATOM 0 HH TYR A 69 -37.503 -0.363 8.207 1.00 0.00 H new ATOM 1056 N GLY A 70 -37.081 0.941 15.294 1.00 0.00 N ATOM 1057 CA GLY A 70 -38.380 0.999 16.020 1.00 0.00 C ATOM 1058 C GLY A 70 -39.530 0.818 15.027 1.00 0.00 C ATOM 1059 O GLY A 70 -39.311 0.187 14.005 1.00 0.00 O ATOM 1060 OXT GLY A 70 -40.610 1.313 15.303 1.00 0.00 O ATOM 0 H GLY A 70 -36.806 1.804 14.825 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -38.418 0.220 16.782 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -38.478 1.954 16.536 1.00 0.00 H new TER 1064 GLY A 70 HETATM 1065 ZN ZN A 71 0.221 -13.925 2.965 1.00 0.00 ZN