USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 541 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0131 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 1.14 USER MOD Single : A 5 SER OG : rot 49:sc= 0.36 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -29:sc= 0.482 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.678 K(o=-0.68,f=-3.4!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 140:sc= -5.11! (180deg=-6.64!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 36:sc= 0.571 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00661 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.622 K(o=-0.62,f=-0.046) USER MOD Single : A 71 HIS : no HD1:sc= -0.62 K(o=-0.62,f=-1.7!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 9:sc= 0.294! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -51.965 8.335 -25.902 1.00 0.00 N ATOM 2 CA GLY A 1 -50.857 7.419 -25.698 1.00 0.00 C ATOM 3 C GLY A 1 -49.842 7.949 -24.706 1.00 0.00 C ATOM 4 O GLY A 1 -49.553 9.146 -24.682 1.00 0.00 O ATOM 0 H1 GLY A 1 -52.244 8.325 -26.904 1.00 0.00 H new ATOM 0 H2 GLY A 1 -52.771 8.041 -25.315 1.00 0.00 H new ATOM 0 H3 GLY A 1 -51.674 9.297 -25.634 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -51.241 6.462 -25.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -50.364 7.231 -26.652 1.00 0.00 H new ATOM 8 N SER A 2 -49.299 7.058 -23.883 1.00 0.00 N ATOM 9 CA SER A 2 -48.314 7.443 -22.880 1.00 0.00 C ATOM 10 C SER A 2 -47.719 6.213 -22.201 1.00 0.00 C ATOM 11 O SER A 2 -48.440 5.287 -21.828 1.00 0.00 O ATOM 12 CB SER A 2 -48.951 8.359 -21.834 1.00 0.00 C ATOM 13 OG SER A 2 -47.990 8.808 -20.894 1.00 0.00 O ATOM 0 H SER A 2 -49.525 6.063 -23.891 1.00 0.00 H new ATOM 0 HA SER A 2 -47.511 7.982 -23.384 1.00 0.00 H new ATOM 0 HB2 SER A 2 -49.409 9.216 -22.328 1.00 0.00 H new ATOM 0 HB3 SER A 2 -49.748 7.826 -21.317 1.00 0.00 H new ATOM 0 HG SER A 2 -48.423 9.393 -20.238 1.00 0.00 H new ATOM 19 N SER A 3 -46.400 6.211 -22.043 1.00 0.00 N ATOM 20 CA SER A 3 -45.707 5.094 -21.413 1.00 0.00 C ATOM 21 C SER A 3 -44.293 5.494 -21.002 1.00 0.00 C ATOM 22 O SER A 3 -43.842 6.603 -21.285 1.00 0.00 O ATOM 23 CB SER A 3 -45.654 3.897 -22.364 1.00 0.00 C ATOM 24 OG SER A 3 -46.860 3.154 -22.315 1.00 0.00 O ATOM 0 H SER A 3 -45.789 6.971 -22.343 1.00 0.00 H new ATOM 0 HA SER A 3 -46.262 4.813 -20.518 1.00 0.00 H new ATOM 0 HB2 SER A 3 -45.478 4.245 -23.382 1.00 0.00 H new ATOM 0 HB3 SER A 3 -44.815 3.254 -22.098 1.00 0.00 H new ATOM 0 HG SER A 3 -47.576 3.716 -21.952 1.00 0.00 H new ATOM 30 N GLY A 4 -43.597 4.580 -20.332 1.00 0.00 N ATOM 31 CA GLY A 4 -42.241 4.855 -19.893 1.00 0.00 C ATOM 32 C GLY A 4 -41.780 3.903 -18.807 1.00 0.00 C ATOM 33 O GLY A 4 -42.436 3.763 -17.775 1.00 0.00 O ATOM 0 H GLY A 4 -43.948 3.655 -20.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -41.565 4.784 -20.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -42.182 5.879 -19.524 1.00 0.00 H new ATOM 37 N SER A 5 -40.648 3.246 -19.040 1.00 0.00 N ATOM 38 CA SER A 5 -40.102 2.298 -18.076 1.00 0.00 C ATOM 39 C SER A 5 -38.622 2.041 -18.345 1.00 0.00 C ATOM 40 O SER A 5 -38.257 1.472 -19.374 1.00 0.00 O ATOM 41 CB SER A 5 -40.878 0.981 -18.128 1.00 0.00 C ATOM 42 OG SER A 5 -40.920 0.466 -19.448 1.00 0.00 O ATOM 0 H SER A 5 -40.091 3.353 -19.888 1.00 0.00 H new ATOM 0 HA SER A 5 -40.203 2.731 -17.081 1.00 0.00 H new ATOM 0 HB2 SER A 5 -40.410 0.253 -17.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 -41.893 1.139 -17.763 1.00 0.00 H new ATOM 0 HG SER A 5 -40.018 0.473 -19.831 1.00 0.00 H new ATOM 48 N SER A 6 -37.775 2.464 -17.413 1.00 0.00 N ATOM 49 CA SER A 6 -36.335 2.284 -17.550 1.00 0.00 C ATOM 50 C SER A 6 -35.721 1.797 -16.241 1.00 0.00 C ATOM 51 O SER A 6 -36.356 1.847 -15.188 1.00 0.00 O ATOM 52 CB SER A 6 -35.674 3.595 -17.980 1.00 0.00 C ATOM 53 OG SER A 6 -34.391 3.361 -18.535 1.00 0.00 O ATOM 0 H SER A 6 -38.061 2.934 -16.554 1.00 0.00 H new ATOM 0 HA SER A 6 -36.160 1.529 -18.316 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.304 4.100 -18.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 -35.586 4.261 -17.121 1.00 0.00 H new ATOM 0 HG SER A 6 -33.990 4.214 -18.804 1.00 0.00 H new ATOM 59 N GLY A 7 -34.480 1.326 -16.315 1.00 0.00 N ATOM 60 CA GLY A 7 -33.800 0.837 -15.130 1.00 0.00 C ATOM 61 C GLY A 7 -33.700 -0.675 -15.101 1.00 0.00 C ATOM 62 O GLY A 7 -34.683 -1.375 -15.349 1.00 0.00 O ATOM 0 H GLY A 7 -33.933 1.274 -17.175 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.799 1.265 -15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.332 1.180 -14.242 1.00 0.00 H new ATOM 66 N LYS A 8 -32.510 -1.183 -14.799 1.00 0.00 N ATOM 67 CA LYS A 8 -32.284 -2.622 -14.739 1.00 0.00 C ATOM 68 C LYS A 8 -30.918 -2.933 -14.138 1.00 0.00 C ATOM 69 O LYS A 8 -29.949 -2.208 -14.365 1.00 0.00 O ATOM 70 CB LYS A 8 -32.389 -3.234 -16.138 1.00 0.00 C ATOM 71 CG LYS A 8 -31.351 -2.706 -17.112 1.00 0.00 C ATOM 72 CD LYS A 8 -31.803 -1.409 -17.761 1.00 0.00 C ATOM 73 CE LYS A 8 -32.873 -1.655 -18.814 1.00 0.00 C ATOM 74 NZ LYS A 8 -32.982 -0.519 -19.770 1.00 0.00 N ATOM 0 H LYS A 8 -31.686 -0.618 -14.592 1.00 0.00 H new ATOM 0 HA LYS A 8 -33.051 -3.059 -14.099 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -32.285 -4.316 -16.061 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -33.384 -3.037 -16.538 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -30.409 -2.543 -16.588 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -31.161 -3.453 -17.883 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -32.191 -0.735 -16.997 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -30.947 -0.913 -18.219 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -32.641 -2.569 -19.361 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -33.834 -1.812 -18.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -33.722 -0.725 -20.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -33.228 0.348 -19.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -32.072 -0.385 -20.256 1.00 0.00 H new ATOM 88 N ASP A 9 -30.847 -4.016 -13.371 1.00 0.00 N ATOM 89 CA ASP A 9 -29.598 -4.425 -12.739 1.00 0.00 C ATOM 90 C ASP A 9 -28.566 -4.832 -13.787 1.00 0.00 C ATOM 91 O ASP A 9 -28.588 -5.955 -14.290 1.00 0.00 O ATOM 92 CB ASP A 9 -29.846 -5.584 -11.772 1.00 0.00 C ATOM 93 CG ASP A 9 -30.199 -5.109 -10.377 1.00 0.00 C ATOM 94 OD1 ASP A 9 -29.439 -4.289 -9.819 1.00 0.00 O ATOM 95 OD2 ASP A 9 -31.236 -5.555 -9.843 1.00 0.00 O ATOM 0 H ASP A 9 -31.640 -4.626 -13.172 1.00 0.00 H new ATOM 0 HA ASP A 9 -29.207 -3.574 -12.181 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -30.654 -6.207 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -28.955 -6.211 -11.725 1.00 0.00 H new ATOM 100 N PHE A 10 -27.665 -3.911 -14.111 1.00 0.00 N ATOM 101 CA PHE A 10 -26.626 -4.173 -15.101 1.00 0.00 C ATOM 102 C PHE A 10 -25.394 -4.791 -14.445 1.00 0.00 C ATOM 103 O PHE A 10 -24.923 -5.852 -14.858 1.00 0.00 O ATOM 104 CB PHE A 10 -26.240 -2.880 -15.821 1.00 0.00 C ATOM 105 CG PHE A 10 -25.312 -3.094 -16.982 1.00 0.00 C ATOM 106 CD1 PHE A 10 -23.941 -3.158 -16.788 1.00 0.00 C ATOM 107 CD2 PHE A 10 -25.810 -3.232 -18.268 1.00 0.00 C ATOM 108 CE1 PHE A 10 -23.084 -3.356 -17.854 1.00 0.00 C ATOM 109 CE2 PHE A 10 -24.957 -3.430 -19.338 1.00 0.00 C ATOM 110 CZ PHE A 10 -23.593 -3.491 -19.131 1.00 0.00 C ATOM 0 H PHE A 10 -27.633 -2.977 -13.703 1.00 0.00 H new ATOM 0 HA PHE A 10 -27.022 -4.881 -15.829 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -27.145 -2.387 -16.176 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -25.767 -2.204 -15.108 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -23.538 -3.052 -15.792 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -26.876 -3.184 -18.436 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -22.018 -3.405 -17.689 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -25.357 -3.537 -20.335 1.00 0.00 H new ATOM 0 HZ PHE A 10 -22.925 -3.644 -19.966 1.00 0.00 H new ATOM 120 N LEU A 11 -24.877 -4.120 -13.423 1.00 0.00 N ATOM 121 CA LEU A 11 -23.699 -4.601 -12.709 1.00 0.00 C ATOM 122 C LEU A 11 -23.560 -3.908 -11.358 1.00 0.00 C ATOM 123 O LEU A 11 -23.225 -2.726 -11.286 1.00 0.00 O ATOM 124 CB LEU A 11 -22.440 -4.367 -13.547 1.00 0.00 C ATOM 125 CG LEU A 11 -21.108 -4.630 -12.844 1.00 0.00 C ATOM 126 CD1 LEU A 11 -20.846 -6.124 -12.735 1.00 0.00 C ATOM 127 CD2 LEU A 11 -19.970 -3.940 -13.582 1.00 0.00 C ATOM 0 H LEU A 11 -25.254 -3.241 -13.069 1.00 0.00 H new ATOM 0 HA LEU A 11 -23.820 -5.670 -12.537 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.493 -5.002 -14.431 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -22.446 -3.334 -13.896 1.00 0.00 H new ATOM 0 HG LEU A 11 -21.164 -4.218 -11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.894 -6.291 -12.232 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -21.646 -6.593 -12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.810 -6.561 -13.733 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.030 -4.138 -13.068 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -19.913 -4.322 -14.601 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.151 -2.865 -13.606 1.00 0.00 H new ATOM 139 N ALA A 12 -23.817 -4.653 -10.287 1.00 0.00 N ATOM 140 CA ALA A 12 -23.716 -4.112 -8.938 1.00 0.00 C ATOM 141 C ALA A 12 -22.584 -4.777 -8.162 1.00 0.00 C ATOM 142 O ALA A 12 -22.731 -5.097 -6.983 1.00 0.00 O ATOM 143 CB ALA A 12 -25.036 -4.284 -8.200 1.00 0.00 C ATOM 0 H ALA A 12 -24.097 -5.633 -10.328 1.00 0.00 H new ATOM 0 HA ALA A 12 -23.491 -3.048 -9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -24.946 -3.875 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -25.824 -3.756 -8.737 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -25.284 -5.344 -8.141 1.00 0.00 H new ATOM 149 N MET A 13 -21.455 -4.982 -8.832 1.00 0.00 N ATOM 150 CA MET A 13 -20.297 -5.609 -8.205 1.00 0.00 C ATOM 151 C MET A 13 -18.999 -5.038 -8.766 1.00 0.00 C ATOM 152 O MET A 13 -18.852 -4.877 -9.978 1.00 0.00 O ATOM 153 CB MET A 13 -20.334 -7.124 -8.415 1.00 0.00 C ATOM 154 CG MET A 13 -20.185 -7.539 -9.870 1.00 0.00 C ATOM 155 SD MET A 13 -19.996 -9.321 -10.068 1.00 0.00 S ATOM 156 CE MET A 13 -19.286 -9.407 -11.710 1.00 0.00 C ATOM 0 H MET A 13 -21.317 -4.723 -9.809 1.00 0.00 H new ATOM 0 HA MET A 13 -20.335 -5.397 -7.137 1.00 0.00 H new ATOM 0 HB2 MET A 13 -19.536 -7.583 -7.831 1.00 0.00 H new ATOM 0 HB3 MET A 13 -21.276 -7.513 -8.029 1.00 0.00 H new ATOM 0 HG2 MET A 13 -21.059 -7.206 -10.430 1.00 0.00 H new ATOM 0 HG3 MET A 13 -19.319 -7.036 -10.301 1.00 0.00 H new ATOM 0 HE1 MET A 13 -19.111 -10.449 -11.976 1.00 0.00 H new ATOM 0 HE2 MET A 13 -19.974 -8.960 -12.428 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.341 -8.864 -11.727 1.00 0.00 H new ATOM 166 N PHE A 14 -18.060 -4.732 -7.877 1.00 0.00 N ATOM 167 CA PHE A 14 -16.774 -4.177 -8.283 1.00 0.00 C ATOM 168 C PHE A 14 -15.651 -5.185 -8.057 1.00 0.00 C ATOM 169 O PHE A 14 -15.772 -6.091 -7.233 1.00 0.00 O ATOM 170 CB PHE A 14 -16.482 -2.889 -7.510 1.00 0.00 C ATOM 171 CG PHE A 14 -16.541 -3.060 -6.019 1.00 0.00 C ATOM 172 CD1 PHE A 14 -15.580 -3.807 -5.355 1.00 0.00 C ATOM 173 CD2 PHE A 14 -17.555 -2.473 -5.280 1.00 0.00 C ATOM 174 CE1 PHE A 14 -15.632 -3.966 -3.984 1.00 0.00 C ATOM 175 CE2 PHE A 14 -17.612 -2.628 -3.908 1.00 0.00 C ATOM 176 CZ PHE A 14 -16.648 -3.375 -3.259 1.00 0.00 C ATOM 0 H PHE A 14 -18.165 -4.859 -6.870 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.825 -3.949 -9.348 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -15.493 -2.524 -7.787 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -17.199 -2.124 -7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.782 -4.270 -5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.310 -1.887 -5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.878 -4.552 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -18.409 -2.166 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.689 -3.497 -2.187 1.00 0.00 H new ATOM 186 N SER A 15 -14.558 -5.020 -8.796 1.00 0.00 N ATOM 187 CA SER A 15 -13.415 -5.917 -8.681 1.00 0.00 C ATOM 188 C SER A 15 -12.173 -5.299 -9.316 1.00 0.00 C ATOM 189 O SER A 15 -12.255 -4.480 -10.231 1.00 0.00 O ATOM 190 CB SER A 15 -13.725 -7.261 -9.343 1.00 0.00 C ATOM 191 OG SER A 15 -14.968 -7.774 -8.897 1.00 0.00 O ATOM 0 H SER A 15 -14.441 -4.273 -9.481 1.00 0.00 H new ATOM 0 HA SER A 15 -13.218 -6.079 -7.621 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.745 -7.140 -10.426 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.932 -7.973 -9.116 1.00 0.00 H new ATOM 0 HG SER A 15 -15.147 -7.454 -7.988 1.00 0.00 H new ATOM 197 N PRO A 16 -10.993 -5.700 -8.819 1.00 0.00 N ATOM 198 CA PRO A 16 -9.711 -5.199 -9.322 1.00 0.00 C ATOM 199 C PRO A 16 -9.402 -5.705 -10.727 1.00 0.00 C ATOM 200 O PRO A 16 -10.000 -6.674 -11.194 1.00 0.00 O ATOM 201 CB PRO A 16 -8.695 -5.752 -8.319 1.00 0.00 C ATOM 202 CG PRO A 16 -9.346 -6.967 -7.752 1.00 0.00 C ATOM 203 CD PRO A 16 -10.821 -6.673 -7.727 1.00 0.00 C ATOM 0 HA PRO A 16 -9.702 -4.112 -9.403 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.752 -5.999 -8.806 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.470 -5.023 -7.540 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.133 -7.845 -8.362 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.973 -7.178 -6.750 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.413 -7.573 -7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.132 -6.260 -6.768 1.00 0.00 H new ATOM 211 N LYS A 17 -8.463 -5.044 -11.396 1.00 0.00 N ATOM 212 CA LYS A 17 -8.073 -5.427 -12.747 1.00 0.00 C ATOM 213 C LYS A 17 -6.558 -5.368 -12.913 1.00 0.00 C ATOM 214 O LYS A 17 -5.880 -4.585 -12.247 1.00 0.00 O ATOM 215 CB LYS A 17 -8.745 -4.512 -13.773 1.00 0.00 C ATOM 216 CG LYS A 17 -10.180 -4.158 -13.425 1.00 0.00 C ATOM 217 CD LYS A 17 -10.871 -3.438 -14.571 1.00 0.00 C ATOM 218 CE LYS A 17 -11.583 -4.414 -15.494 1.00 0.00 C ATOM 219 NZ LYS A 17 -12.733 -3.777 -16.195 1.00 0.00 N ATOM 0 H LYS A 17 -7.958 -4.240 -11.024 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.400 -6.453 -12.915 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.165 -3.594 -13.863 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.726 -4.998 -14.748 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.731 -5.066 -13.180 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.195 -3.527 -12.536 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.590 -2.723 -14.172 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.136 -2.868 -15.140 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.877 -4.799 -16.230 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.938 -5.267 -14.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.192 -4.475 -16.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.419 -3.432 -15.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.392 -2.978 -16.767 1.00 0.00 H new ATOM 233 N CYS A 18 -6.032 -6.199 -13.806 1.00 0.00 N ATOM 234 CA CYS A 18 -4.597 -6.241 -14.061 1.00 0.00 C ATOM 235 C CYS A 18 -4.050 -4.841 -14.325 1.00 0.00 C ATOM 236 O CYS A 18 -4.667 -4.046 -15.033 1.00 0.00 O ATOM 237 CB CYS A 18 -4.296 -7.152 -15.253 1.00 0.00 C ATOM 238 SG CYS A 18 -2.769 -6.722 -16.149 1.00 0.00 S ATOM 0 H CYS A 18 -6.579 -6.853 -14.366 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.107 -6.642 -13.174 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.221 -8.181 -14.901 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.135 -7.114 -15.947 1.00 0.00 H new ATOM 243 N GLY A 19 -2.887 -4.548 -13.751 1.00 0.00 N ATOM 244 CA GLY A 19 -2.277 -3.244 -13.936 1.00 0.00 C ATOM 245 C GLY A 19 -1.555 -3.126 -15.264 1.00 0.00 C ATOM 246 O GLY A 19 -0.490 -2.515 -15.347 1.00 0.00 O ATOM 0 H GLY A 19 -2.357 -5.190 -13.162 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.046 -2.474 -13.874 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.573 -3.057 -13.125 1.00 0.00 H new ATOM 250 N GLY A 20 -2.136 -3.713 -16.306 1.00 0.00 N ATOM 251 CA GLY A 20 -1.526 -3.660 -17.622 1.00 0.00 C ATOM 252 C GLY A 20 -2.553 -3.613 -18.735 1.00 0.00 C ATOM 253 O GLY A 20 -2.473 -2.769 -19.629 1.00 0.00 O ATOM 0 H GLY A 20 -3.018 -4.224 -16.262 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.884 -2.781 -17.687 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.887 -4.532 -17.758 1.00 0.00 H new ATOM 257 N CYS A 21 -3.521 -4.522 -18.684 1.00 0.00 N ATOM 258 CA CYS A 21 -4.568 -4.583 -19.697 1.00 0.00 C ATOM 259 C CYS A 21 -5.862 -3.961 -19.180 1.00 0.00 C ATOM 260 O CYS A 21 -6.727 -3.564 -19.959 1.00 0.00 O ATOM 261 CB CYS A 21 -4.818 -6.033 -20.115 1.00 0.00 C ATOM 262 SG CYS A 21 -3.325 -7.077 -20.107 1.00 0.00 S ATOM 0 H CYS A 21 -3.602 -5.227 -17.951 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.233 -4.014 -20.564 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.558 -6.471 -19.445 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.249 -6.042 -21.116 1.00 0.00 H new ATOM 267 N ASN A 22 -5.986 -3.879 -17.859 1.00 0.00 N ATOM 268 CA ASN A 22 -7.174 -3.306 -17.237 1.00 0.00 C ATOM 269 C ASN A 22 -8.362 -4.256 -17.355 1.00 0.00 C ATOM 270 O ASN A 22 -9.482 -3.833 -17.645 1.00 0.00 O ATOM 271 CB ASN A 22 -7.516 -1.962 -17.883 1.00 0.00 C ATOM 272 CG ASN A 22 -8.279 -1.046 -16.945 1.00 0.00 C ATOM 273 OD1 ASN A 22 -8.497 -1.376 -15.779 1.00 0.00 O ATOM 274 ND2 ASN A 22 -8.689 0.111 -17.451 1.00 0.00 N ATOM 0 H ASN A 22 -5.279 -4.202 -17.199 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.960 -3.149 -16.180 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.596 -1.469 -18.199 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.110 -2.134 -18.781 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.207 0.768 -16.867 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.486 0.343 -18.423 1.00 0.00 H new ATOM 281 N ARG A 23 -8.110 -5.541 -17.128 1.00 0.00 N ATOM 282 CA ARG A 23 -9.158 -6.551 -17.210 1.00 0.00 C ATOM 283 C ARG A 23 -9.418 -7.177 -15.842 1.00 0.00 C ATOM 284 O ARG A 23 -8.553 -7.194 -14.966 1.00 0.00 O ATOM 285 CB ARG A 23 -8.772 -7.638 -18.214 1.00 0.00 C ATOM 286 CG ARG A 23 -8.855 -7.185 -19.663 1.00 0.00 C ATOM 287 CD ARG A 23 -9.196 -8.342 -20.589 1.00 0.00 C ATOM 288 NE ARG A 23 -10.638 -8.539 -20.711 1.00 0.00 N ATOM 289 CZ ARG A 23 -11.195 -9.695 -21.054 1.00 0.00 C ATOM 290 NH1 ARG A 23 -10.436 -10.752 -21.306 1.00 0.00 N ATOM 291 NH2 ARG A 23 -12.515 -9.795 -21.143 1.00 0.00 N ATOM 0 H ARG A 23 -7.189 -5.907 -16.886 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.072 -6.063 -17.548 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.756 -7.971 -18.004 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.425 -8.499 -18.073 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.611 -6.406 -19.759 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.904 -6.745 -19.963 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.771 -8.154 -21.575 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.736 -9.256 -20.212 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.251 -7.746 -20.523 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.421 -10.679 -21.237 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.867 -11.638 -21.569 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.102 -8.984 -20.948 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.943 -10.683 -21.406 1.00 0.00 H new ATOM 305 N PRO A 24 -10.638 -7.702 -15.654 1.00 0.00 N ATOM 306 CA PRO A 24 -11.040 -8.338 -14.396 1.00 0.00 C ATOM 307 C PRO A 24 -10.325 -9.665 -14.162 1.00 0.00 C ATOM 308 O PRO A 24 -10.666 -10.680 -14.768 1.00 0.00 O ATOM 309 CB PRO A 24 -12.542 -8.565 -14.577 1.00 0.00 C ATOM 310 CG PRO A 24 -12.738 -8.642 -16.052 1.00 0.00 C ATOM 311 CD PRO A 24 -11.718 -7.716 -16.654 1.00 0.00 C ATOM 0 HA PRO A 24 -10.789 -7.724 -13.531 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.866 -9.483 -14.086 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.121 -7.750 -14.143 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.600 -9.662 -16.411 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.749 -8.341 -16.328 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.367 -8.079 -17.620 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -12.127 -6.719 -16.818 1.00 0.00 H new ATOM 319 N VAL A 25 -9.331 -9.649 -13.280 1.00 0.00 N ATOM 320 CA VAL A 25 -8.568 -10.851 -12.966 1.00 0.00 C ATOM 321 C VAL A 25 -9.200 -11.615 -11.807 1.00 0.00 C ATOM 322 O VAL A 25 -9.403 -11.064 -10.724 1.00 0.00 O ATOM 323 CB VAL A 25 -7.109 -10.513 -12.609 1.00 0.00 C ATOM 324 CG1 VAL A 25 -6.350 -10.054 -13.844 1.00 0.00 C ATOM 325 CG2 VAL A 25 -7.059 -9.455 -11.518 1.00 0.00 C ATOM 0 H VAL A 25 -9.035 -8.817 -12.770 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.579 -11.476 -13.859 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.627 -11.415 -12.231 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.321 -9.820 -13.572 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.356 -10.848 -14.591 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.828 -9.165 -14.255 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.020 -9.228 -11.278 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.557 -8.550 -11.866 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.564 -9.827 -10.627 1.00 0.00 H new ATOM 335 N LEU A 26 -9.507 -12.886 -12.040 1.00 0.00 N ATOM 336 CA LEU A 26 -10.115 -13.727 -11.015 1.00 0.00 C ATOM 337 C LEU A 26 -9.333 -15.025 -10.842 1.00 0.00 C ATOM 338 O LEU A 26 -9.064 -15.453 -9.720 1.00 0.00 O ATOM 339 CB LEU A 26 -11.567 -14.038 -11.379 1.00 0.00 C ATOM 340 CG LEU A 26 -12.440 -12.837 -11.744 1.00 0.00 C ATOM 341 CD1 LEU A 26 -13.818 -13.296 -12.197 1.00 0.00 C ATOM 342 CD2 LEU A 26 -12.555 -11.884 -10.563 1.00 0.00 C ATOM 0 H LEU A 26 -9.345 -13.357 -12.930 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.092 -13.182 -10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.569 -14.732 -12.220 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.029 -14.555 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.967 -12.306 -12.570 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.425 -12.427 -12.453 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.718 -13.939 -13.072 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.300 -13.851 -11.392 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.180 -11.035 -10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.005 -12.405 -9.718 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.563 -11.529 -10.284 1.00 0.00 H new ATOM 354 N GLU A 27 -8.969 -15.645 -11.960 1.00 0.00 N ATOM 355 CA GLU A 27 -8.217 -16.894 -11.930 1.00 0.00 C ATOM 356 C GLU A 27 -6.743 -16.649 -12.243 1.00 0.00 C ATOM 357 O GLU A 27 -6.405 -15.779 -13.044 1.00 0.00 O ATOM 358 CB GLU A 27 -8.802 -17.893 -12.930 1.00 0.00 C ATOM 359 CG GLU A 27 -9.057 -17.298 -14.305 1.00 0.00 C ATOM 360 CD GLU A 27 -9.464 -18.343 -15.326 1.00 0.00 C ATOM 361 OE1 GLU A 27 -8.788 -19.390 -15.406 1.00 0.00 O ATOM 362 OE2 GLU A 27 -10.459 -18.113 -16.045 1.00 0.00 O ATOM 0 H GLU A 27 -9.182 -15.303 -12.897 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.294 -17.310 -10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.119 -18.737 -13.029 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.739 -18.285 -12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.840 -16.543 -14.231 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.156 -16.790 -14.650 1.00 0.00 H new ATOM 369 N ASN A 28 -5.872 -17.422 -11.604 1.00 0.00 N ATOM 370 CA ASN A 28 -4.435 -17.289 -11.812 1.00 0.00 C ATOM 371 C ASN A 28 -4.025 -15.820 -11.855 1.00 0.00 C ATOM 372 O ASN A 28 -3.343 -15.381 -12.781 1.00 0.00 O ATOM 373 CB ASN A 28 -4.020 -17.983 -13.112 1.00 0.00 C ATOM 374 CG ASN A 28 -4.317 -19.470 -13.093 1.00 0.00 C ATOM 375 OD1 ASN A 28 -3.876 -20.191 -12.198 1.00 0.00 O ATOM 376 ND2 ASN A 28 -5.068 -19.936 -14.084 1.00 0.00 N ATOM 0 H ASN A 28 -6.136 -18.147 -10.937 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.927 -17.766 -10.974 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.542 -17.521 -13.950 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.954 -17.830 -13.278 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.301 -20.928 -14.124 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -5.412 -19.302 -14.805 1.00 0.00 H new ATOM 383 N TYR A 29 -4.445 -15.065 -10.845 1.00 0.00 N ATOM 384 CA TYR A 29 -4.124 -13.645 -10.767 1.00 0.00 C ATOM 385 C TYR A 29 -3.129 -13.372 -9.643 1.00 0.00 C ATOM 386 O TYR A 29 -3.070 -14.109 -8.658 1.00 0.00 O ATOM 387 CB TYR A 29 -5.396 -12.824 -10.548 1.00 0.00 C ATOM 388 CG TYR A 29 -5.913 -12.877 -9.128 1.00 0.00 C ATOM 389 CD1 TYR A 29 -6.763 -13.896 -8.715 1.00 0.00 C ATOM 390 CD2 TYR A 29 -5.553 -11.908 -8.200 1.00 0.00 C ATOM 391 CE1 TYR A 29 -7.239 -13.948 -7.419 1.00 0.00 C ATOM 392 CE2 TYR A 29 -6.023 -11.952 -6.902 1.00 0.00 C ATOM 393 CZ TYR A 29 -6.865 -12.974 -6.516 1.00 0.00 C ATOM 394 OH TYR A 29 -7.336 -13.021 -5.224 1.00 0.00 O ATOM 0 H TYR A 29 -5.008 -15.413 -10.069 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.667 -13.350 -11.712 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.199 -11.786 -10.816 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.172 -13.185 -11.222 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.057 -14.660 -9.419 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.894 -11.106 -8.499 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.900 -14.746 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.733 -11.190 -6.193 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.977 -12.263 -4.717 1.00 0.00 H new ATOM 404 N LEU A 30 -2.349 -12.308 -9.798 1.00 0.00 N ATOM 405 CA LEU A 30 -1.356 -11.936 -8.797 1.00 0.00 C ATOM 406 C LEU A 30 -1.807 -10.707 -8.013 1.00 0.00 C ATOM 407 O LEU A 30 -2.772 -10.040 -8.387 1.00 0.00 O ATOM 408 CB LEU A 30 -0.007 -11.662 -9.465 1.00 0.00 C ATOM 409 CG LEU A 30 0.354 -12.567 -10.642 1.00 0.00 C ATOM 410 CD1 LEU A 30 -0.330 -12.089 -11.913 1.00 0.00 C ATOM 411 CD2 LEU A 30 1.863 -12.617 -10.833 1.00 0.00 C ATOM 0 H LEU A 30 -2.385 -11.688 -10.607 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.248 -12.768 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.001 -10.628 -9.811 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.774 -11.752 -8.710 1.00 0.00 H new ATOM 0 HG LEU A 30 0.002 -13.575 -10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.061 -12.746 -12.740 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.411 -12.106 -11.773 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.009 -11.072 -12.138 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.102 -13.266 -11.675 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.238 -11.613 -11.031 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.331 -13.008 -9.930 1.00 0.00 H new ATOM 423 N SER A 31 -1.102 -10.413 -6.926 1.00 0.00 N ATOM 424 CA SER A 31 -1.431 -9.266 -6.088 1.00 0.00 C ATOM 425 C SER A 31 -0.176 -8.475 -5.734 1.00 0.00 C ATOM 426 O SER A 31 0.555 -8.830 -4.809 1.00 0.00 O ATOM 427 CB SER A 31 -2.136 -9.725 -4.811 1.00 0.00 C ATOM 428 OG SER A 31 -3.541 -9.766 -4.990 1.00 0.00 O ATOM 0 H SER A 31 -0.299 -10.953 -6.605 1.00 0.00 H new ATOM 0 HA SER A 31 -2.102 -8.617 -6.651 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.774 -10.713 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.890 -9.048 -3.993 1.00 0.00 H new ATOM 0 HG SER A 31 -3.968 -10.064 -4.160 1.00 0.00 H new ATOM 434 N ALA A 32 0.068 -7.399 -6.475 1.00 0.00 N ATOM 435 CA ALA A 32 1.233 -6.556 -6.239 1.00 0.00 C ATOM 436 C ALA A 32 0.840 -5.084 -6.166 1.00 0.00 C ATOM 437 O ALA A 32 -0.205 -4.685 -6.679 1.00 0.00 O ATOM 438 CB ALA A 32 2.272 -6.773 -7.329 1.00 0.00 C ATOM 0 H ALA A 32 -0.526 -7.091 -7.244 1.00 0.00 H new ATOM 0 HA ALA A 32 1.666 -6.838 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.136 -6.137 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.584 -7.817 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.841 -6.521 -8.298 1.00 0.00 H new ATOM 444 N MET A 33 1.683 -4.282 -5.525 1.00 0.00 N ATOM 445 CA MET A 33 1.423 -2.854 -5.386 1.00 0.00 C ATOM 446 C MET A 33 -0.017 -2.604 -4.951 1.00 0.00 C ATOM 447 O MET A 33 -0.709 -1.758 -5.519 1.00 0.00 O ATOM 448 CB MET A 33 1.703 -2.132 -6.706 1.00 0.00 C ATOM 449 CG MET A 33 3.107 -2.363 -7.239 1.00 0.00 C ATOM 450 SD MET A 33 3.488 -1.325 -8.664 1.00 0.00 S ATOM 451 CE MET A 33 4.758 -2.303 -9.465 1.00 0.00 C ATOM 0 H MET A 33 2.552 -4.596 -5.094 1.00 0.00 H new ATOM 0 HA MET A 33 2.089 -2.461 -4.618 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.981 -2.463 -7.452 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.548 -1.062 -6.566 1.00 0.00 H new ATOM 0 HG2 MET A 33 3.829 -2.166 -6.447 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.218 -3.411 -7.518 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.615 -2.271 -10.545 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.739 -1.899 -9.217 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.693 -3.335 -9.121 1.00 0.00 H new ATOM 461 N ASP A 34 -0.463 -3.344 -3.942 1.00 0.00 N ATOM 462 CA ASP A 34 -1.821 -3.201 -3.431 1.00 0.00 C ATOM 463 C ASP A 34 -2.842 -3.323 -4.558 1.00 0.00 C ATOM 464 O ASP A 34 -3.931 -2.753 -4.490 1.00 0.00 O ATOM 465 CB ASP A 34 -1.984 -1.856 -2.723 1.00 0.00 C ATOM 466 CG ASP A 34 -0.947 -1.644 -1.637 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.259 -1.647 -1.960 1.00 0.00 O ATOM 468 OD2 ASP A 34 -1.342 -1.475 -0.464 1.00 0.00 O ATOM 0 H ASP A 34 0.096 -4.049 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.999 -4.003 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.909 -1.052 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.981 -1.797 -2.286 1.00 0.00 H new ATOM 473 N THR A 35 -2.482 -4.071 -5.598 1.00 0.00 N ATOM 474 CA THR A 35 -3.365 -4.266 -6.741 1.00 0.00 C ATOM 475 C THR A 35 -3.197 -5.660 -7.333 1.00 0.00 C ATOM 476 O THR A 35 -2.410 -6.466 -6.836 1.00 0.00 O ATOM 477 CB THR A 35 -3.101 -3.219 -7.839 1.00 0.00 C ATOM 478 OG1 THR A 35 -4.167 -3.233 -8.795 1.00 0.00 O ATOM 479 CG2 THR A 35 -1.780 -3.492 -8.542 1.00 0.00 C ATOM 0 H THR A 35 -1.585 -4.551 -5.671 1.00 0.00 H new ATOM 0 HA THR A 35 -4.386 -4.150 -6.376 1.00 0.00 H new ATOM 0 HB THR A 35 -3.047 -2.237 -7.368 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.993 -2.563 -9.489 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.616 -2.739 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.967 -3.452 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.809 -4.481 -9.000 1.00 0.00 H new ATOM 487 N VAL A 36 -3.941 -5.939 -8.399 1.00 0.00 N ATOM 488 CA VAL A 36 -3.873 -7.237 -9.060 1.00 0.00 C ATOM 489 C VAL A 36 -3.141 -7.136 -10.394 1.00 0.00 C ATOM 490 O VAL A 36 -3.025 -6.054 -10.969 1.00 0.00 O ATOM 491 CB VAL A 36 -5.279 -7.818 -9.301 1.00 0.00 C ATOM 492 CG1 VAL A 36 -6.007 -8.020 -7.981 1.00 0.00 C ATOM 493 CG2 VAL A 36 -6.078 -6.913 -10.227 1.00 0.00 C ATOM 0 H VAL A 36 -4.598 -5.284 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.322 -7.903 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.174 -8.790 -9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.998 -8.431 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.442 -8.711 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.103 -7.063 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.069 -7.339 -10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.176 -5.926 -9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.563 -6.825 -11.184 1.00 0.00 H new ATOM 503 N TRP A 37 -2.650 -8.270 -10.880 1.00 0.00 N ATOM 504 CA TRP A 37 -1.930 -8.310 -12.147 1.00 0.00 C ATOM 505 C TRP A 37 -2.162 -9.635 -12.864 1.00 0.00 C ATOM 506 O TRP A 37 -2.886 -10.501 -12.371 1.00 0.00 O ATOM 507 CB TRP A 37 -0.433 -8.098 -11.913 1.00 0.00 C ATOM 508 CG TRP A 37 -0.111 -6.774 -11.289 1.00 0.00 C ATOM 509 CD1 TRP A 37 -0.173 -6.456 -9.963 1.00 0.00 C ATOM 510 CD2 TRP A 37 0.322 -5.590 -11.968 1.00 0.00 C ATOM 511 NE1 TRP A 37 0.195 -5.146 -9.776 1.00 0.00 N ATOM 512 CE2 TRP A 37 0.505 -4.593 -10.990 1.00 0.00 C ATOM 513 CE3 TRP A 37 0.576 -5.276 -13.306 1.00 0.00 C ATOM 514 CZ2 TRP A 37 0.927 -3.305 -11.310 1.00 0.00 C ATOM 515 CZ3 TRP A 37 0.994 -3.997 -13.622 1.00 0.00 C ATOM 516 CH2 TRP A 37 1.167 -3.025 -12.628 1.00 0.00 C ATOM 0 H TRP A 37 -2.737 -9.174 -10.416 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.310 -7.506 -12.778 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.056 -8.895 -11.272 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.091 -8.180 -12.865 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.468 -7.135 -9.176 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.232 -4.663 -8.878 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.448 -6.019 -14.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.060 -2.554 -10.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.191 -3.743 -14.653 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.496 -2.035 -12.907 1.00 0.00 H new ATOM 527 N HIS A 38 -1.545 -9.787 -14.032 1.00 0.00 N ATOM 528 CA HIS A 38 -1.685 -11.009 -14.817 1.00 0.00 C ATOM 529 C HIS A 38 -0.379 -11.798 -14.832 1.00 0.00 C ATOM 530 O HIS A 38 0.715 -11.234 -14.881 1.00 0.00 O ATOM 531 CB HIS A 38 -2.109 -10.675 -16.247 1.00 0.00 C ATOM 532 CG HIS A 38 -3.594 -10.664 -16.444 1.00 0.00 C ATOM 533 ND1 HIS A 38 -4.241 -9.737 -17.233 1.00 0.00 N ATOM 534 CD2 HIS A 38 -4.558 -11.476 -15.951 1.00 0.00 C ATOM 535 CE1 HIS A 38 -5.540 -9.977 -17.215 1.00 0.00 C ATOM 536 NE2 HIS A 38 -5.759 -11.028 -16.445 1.00 0.00 N ATOM 0 H HIS A 38 -0.944 -9.080 -14.455 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.455 -11.624 -14.352 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.708 -9.698 -16.518 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.666 -11.402 -16.928 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.411 -12.319 -15.292 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.295 -9.410 -17.740 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.671 -11.440 -16.249 1.00 0.00 H new ATOM 544 N PRO A 39 -0.493 -13.133 -14.788 1.00 0.00 N ATOM 545 CA PRO A 39 0.669 -14.028 -14.795 1.00 0.00 C ATOM 546 C PRO A 39 1.386 -14.035 -16.141 1.00 0.00 C ATOM 547 O PRO A 39 2.266 -14.861 -16.380 1.00 0.00 O ATOM 548 CB PRO A 39 0.060 -15.402 -14.506 1.00 0.00 C ATOM 549 CG PRO A 39 -1.350 -15.298 -14.974 1.00 0.00 C ATOM 550 CD PRO A 39 -1.764 -13.873 -14.728 1.00 0.00 C ATOM 0 HA PRO A 39 1.425 -13.721 -14.072 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.595 -16.191 -15.034 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.108 -15.641 -13.443 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.430 -15.551 -16.031 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.993 -15.991 -14.431 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.468 -13.523 -15.483 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.251 -13.758 -13.760 1.00 0.00 H new ATOM 558 N GLU A 40 1.004 -13.109 -17.015 1.00 0.00 N ATOM 559 CA GLU A 40 1.612 -13.011 -18.337 1.00 0.00 C ATOM 560 C GLU A 40 2.078 -11.585 -18.617 1.00 0.00 C ATOM 561 O GLU A 40 3.066 -11.369 -19.319 1.00 0.00 O ATOM 562 CB GLU A 40 0.620 -13.455 -19.413 1.00 0.00 C ATOM 563 CG GLU A 40 -0.476 -12.439 -19.687 1.00 0.00 C ATOM 564 CD GLU A 40 -1.660 -13.041 -20.419 1.00 0.00 C ATOM 565 OE1 GLU A 40 -1.856 -14.271 -20.319 1.00 0.00 O ATOM 566 OE2 GLU A 40 -2.390 -12.284 -21.092 1.00 0.00 O ATOM 0 H GLU A 40 0.277 -12.417 -16.832 1.00 0.00 H new ATOM 0 HA GLU A 40 2.480 -13.670 -18.359 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.163 -13.649 -20.338 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.163 -14.396 -19.108 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.816 -12.013 -18.743 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.067 -11.619 -20.278 1.00 0.00 H new ATOM 573 N CYS A 41 1.360 -10.615 -18.062 1.00 0.00 N ATOM 574 CA CYS A 41 1.697 -9.209 -18.252 1.00 0.00 C ATOM 575 C CYS A 41 2.730 -8.754 -17.225 1.00 0.00 C ATOM 576 O CYS A 41 3.697 -8.071 -17.562 1.00 0.00 O ATOM 577 CB CYS A 41 0.440 -8.343 -18.145 1.00 0.00 C ATOM 578 SG CYS A 41 -1.038 -9.078 -18.915 1.00 0.00 S ATOM 0 H CYS A 41 0.540 -10.777 -17.477 1.00 0.00 H new ATOM 0 HA CYS A 41 2.125 -9.095 -19.248 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.231 -8.153 -17.092 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.637 -7.377 -18.610 1.00 0.00 H new ATOM 583 N PHE A 42 2.518 -9.139 -15.971 1.00 0.00 N ATOM 584 CA PHE A 42 3.430 -8.771 -14.894 1.00 0.00 C ATOM 585 C PHE A 42 4.872 -9.108 -15.263 1.00 0.00 C ATOM 586 O PHE A 42 5.374 -10.182 -14.933 1.00 0.00 O ATOM 587 CB PHE A 42 3.042 -9.489 -13.600 1.00 0.00 C ATOM 588 CG PHE A 42 3.502 -8.780 -12.359 1.00 0.00 C ATOM 589 CD1 PHE A 42 3.246 -7.429 -12.182 1.00 0.00 C ATOM 590 CD2 PHE A 42 4.190 -9.462 -11.369 1.00 0.00 C ATOM 591 CE1 PHE A 42 3.668 -6.774 -11.041 1.00 0.00 C ATOM 592 CE2 PHE A 42 4.615 -8.812 -10.226 1.00 0.00 C ATOM 593 CZ PHE A 42 4.353 -7.466 -10.061 1.00 0.00 C ATOM 0 H PHE A 42 1.723 -9.706 -15.675 1.00 0.00 H new ATOM 0 HA PHE A 42 3.355 -7.694 -14.740 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.958 -9.598 -13.566 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.463 -10.494 -13.612 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.711 -6.883 -12.944 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.397 -10.515 -11.492 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.462 -5.721 -10.915 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.151 -9.356 -9.463 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.683 -6.956 -9.168 1.00 0.00 H new ATOM 603 N VAL A 43 5.532 -8.181 -15.951 1.00 0.00 N ATOM 604 CA VAL A 43 6.916 -8.379 -16.365 1.00 0.00 C ATOM 605 C VAL A 43 7.721 -7.092 -16.221 1.00 0.00 C ATOM 606 O VAL A 43 7.176 -6.039 -15.889 1.00 0.00 O ATOM 607 CB VAL A 43 7.001 -8.865 -17.824 1.00 0.00 C ATOM 608 CG1 VAL A 43 6.301 -10.205 -17.982 1.00 0.00 C ATOM 609 CG2 VAL A 43 6.407 -7.829 -18.766 1.00 0.00 C ATOM 0 H VAL A 43 5.131 -7.287 -16.233 1.00 0.00 H new ATOM 0 HA VAL A 43 7.337 -9.143 -15.711 1.00 0.00 H new ATOM 0 HB VAL A 43 8.051 -8.998 -18.084 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.371 -10.532 -19.019 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.777 -10.943 -17.336 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.252 -10.102 -17.704 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.475 -8.189 -19.793 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.361 -7.661 -18.509 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.958 -6.893 -18.672 1.00 0.00 H new ATOM 619 N CYS A 44 9.022 -7.183 -16.475 1.00 0.00 N ATOM 620 CA CYS A 44 9.905 -6.027 -16.375 1.00 0.00 C ATOM 621 C CYS A 44 9.574 -4.995 -17.449 1.00 0.00 C ATOM 622 O CYS A 44 8.859 -5.288 -18.407 1.00 0.00 O ATOM 623 CB CYS A 44 11.366 -6.462 -16.503 1.00 0.00 C ATOM 624 SG CYS A 44 12.569 -5.161 -16.081 1.00 0.00 S ATOM 0 H CYS A 44 9.489 -8.047 -16.752 1.00 0.00 H new ATOM 0 HA CYS A 44 9.754 -5.569 -15.397 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.536 -7.323 -15.856 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.547 -6.792 -17.526 1.00 0.00 H new ATOM 629 N GLY A 45 10.099 -3.785 -17.282 1.00 0.00 N ATOM 630 CA GLY A 45 9.848 -2.728 -18.244 1.00 0.00 C ATOM 631 C GLY A 45 10.959 -2.600 -19.268 1.00 0.00 C ATOM 632 O GLY A 45 10.752 -2.062 -20.355 1.00 0.00 O ATOM 0 H GLY A 45 10.694 -3.518 -16.498 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.906 -2.924 -18.757 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.733 -1.781 -17.717 1.00 0.00 H new ATOM 636 N ASP A 46 12.142 -3.094 -18.919 1.00 0.00 N ATOM 637 CA ASP A 46 13.291 -3.032 -19.815 1.00 0.00 C ATOM 638 C ASP A 46 13.501 -4.367 -20.523 1.00 0.00 C ATOM 639 O ASP A 46 13.367 -4.462 -21.744 1.00 0.00 O ATOM 640 CB ASP A 46 14.551 -2.650 -19.037 1.00 0.00 C ATOM 641 CG ASP A 46 14.578 -1.181 -18.664 1.00 0.00 C ATOM 642 OD1 ASP A 46 13.812 -0.401 -19.268 1.00 0.00 O ATOM 643 OD2 ASP A 46 15.365 -0.810 -17.767 1.00 0.00 O ATOM 0 H ASP A 46 12.330 -3.542 -18.022 1.00 0.00 H new ATOM 0 HA ASP A 46 13.093 -2.269 -20.568 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.612 -3.253 -18.131 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.430 -2.886 -19.637 1.00 0.00 H new ATOM 648 N CYS A 47 13.831 -5.396 -19.750 1.00 0.00 N ATOM 649 CA CYS A 47 14.061 -6.725 -20.302 1.00 0.00 C ATOM 650 C CYS A 47 12.740 -7.446 -20.553 1.00 0.00 C ATOM 651 O CYS A 47 12.684 -8.420 -21.304 1.00 0.00 O ATOM 652 CB CYS A 47 14.933 -7.550 -19.354 1.00 0.00 C ATOM 653 SG CYS A 47 14.150 -7.910 -17.749 1.00 0.00 S ATOM 0 H CYS A 47 13.945 -5.335 -18.738 1.00 0.00 H new ATOM 0 HA CYS A 47 14.579 -6.611 -21.254 1.00 0.00 H new ATOM 0 HB2 CYS A 47 15.190 -8.491 -19.840 1.00 0.00 H new ATOM 0 HB3 CYS A 47 15.867 -7.016 -19.179 1.00 0.00 H new ATOM 658 N PHE A 48 11.677 -6.960 -19.920 1.00 0.00 N ATOM 659 CA PHE A 48 10.356 -7.557 -20.074 1.00 0.00 C ATOM 660 C PHE A 48 10.392 -9.048 -19.750 1.00 0.00 C ATOM 661 O PHE A 48 9.941 -9.878 -20.540 1.00 0.00 O ATOM 662 CB PHE A 48 9.839 -7.345 -21.498 1.00 0.00 C ATOM 663 CG PHE A 48 9.610 -5.902 -21.844 1.00 0.00 C ATOM 664 CD1 PHE A 48 8.425 -5.273 -21.499 1.00 0.00 C ATOM 665 CD2 PHE A 48 10.580 -5.174 -22.515 1.00 0.00 C ATOM 666 CE1 PHE A 48 8.211 -3.945 -21.817 1.00 0.00 C ATOM 667 CE2 PHE A 48 10.372 -3.845 -22.835 1.00 0.00 C ATOM 668 CZ PHE A 48 9.186 -3.230 -22.485 1.00 0.00 C ATOM 0 H PHE A 48 11.705 -6.154 -19.295 1.00 0.00 H new ATOM 0 HA PHE A 48 9.680 -7.067 -19.374 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.554 -7.770 -22.203 1.00 0.00 H new ATOM 0 HB3 PHE A 48 8.905 -7.893 -21.622 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.660 -5.827 -20.976 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.509 -5.650 -22.791 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.282 -3.467 -21.543 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.136 -3.289 -23.358 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.021 -2.192 -22.733 1.00 0.00 H new ATOM 678 N THR A 49 10.934 -9.381 -18.583 1.00 0.00 N ATOM 679 CA THR A 49 11.031 -10.771 -18.154 1.00 0.00 C ATOM 680 C THR A 49 9.817 -11.178 -17.327 1.00 0.00 C ATOM 681 O THR A 49 9.219 -10.352 -16.637 1.00 0.00 O ATOM 682 CB THR A 49 12.308 -11.015 -17.327 1.00 0.00 C ATOM 683 OG1 THR A 49 12.461 -12.414 -17.065 1.00 0.00 O ATOM 684 CG2 THR A 49 12.255 -10.251 -16.013 1.00 0.00 C ATOM 0 H THR A 49 11.313 -8.707 -17.918 1.00 0.00 H new ATOM 0 HA THR A 49 11.070 -11.379 -19.058 1.00 0.00 H new ATOM 0 HB THR A 49 13.162 -10.658 -17.903 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.276 -12.561 -16.541 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.167 -10.438 -15.446 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.167 -9.184 -16.216 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.393 -10.583 -15.434 1.00 0.00 H new ATOM 692 N SER A 50 9.459 -12.455 -17.400 1.00 0.00 N ATOM 693 CA SER A 50 8.313 -12.971 -16.660 1.00 0.00 C ATOM 694 C SER A 50 8.691 -13.267 -15.212 1.00 0.00 C ATOM 695 O SER A 50 7.951 -13.935 -14.489 1.00 0.00 O ATOM 696 CB SER A 50 7.776 -14.239 -17.328 1.00 0.00 C ATOM 697 OG SER A 50 6.379 -14.367 -17.128 1.00 0.00 O ATOM 0 H SER A 50 9.946 -13.152 -17.964 1.00 0.00 H new ATOM 0 HA SER A 50 7.534 -12.208 -16.666 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.993 -14.211 -18.396 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.286 -15.112 -16.922 1.00 0.00 H new ATOM 0 HG SER A 50 6.059 -15.184 -17.565 1.00 0.00 H new ATOM 703 N PHE A 51 9.848 -12.765 -14.794 1.00 0.00 N ATOM 704 CA PHE A 51 10.326 -12.975 -13.433 1.00 0.00 C ATOM 705 C PHE A 51 10.202 -14.442 -13.033 1.00 0.00 C ATOM 706 O PHE A 51 9.877 -14.760 -11.889 1.00 0.00 O ATOM 707 CB PHE A 51 9.542 -12.100 -12.453 1.00 0.00 C ATOM 708 CG PHE A 51 9.410 -10.671 -12.899 1.00 0.00 C ATOM 709 CD1 PHE A 51 10.535 -9.908 -13.165 1.00 0.00 C ATOM 710 CD2 PHE A 51 8.160 -10.092 -13.051 1.00 0.00 C ATOM 711 CE1 PHE A 51 10.417 -8.593 -13.575 1.00 0.00 C ATOM 712 CE2 PHE A 51 8.036 -8.778 -13.461 1.00 0.00 C ATOM 713 CZ PHE A 51 9.166 -8.028 -13.723 1.00 0.00 C ATOM 0 H PHE A 51 10.472 -12.209 -15.379 1.00 0.00 H new ATOM 0 HA PHE A 51 11.379 -12.694 -13.398 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.547 -12.523 -12.316 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.035 -12.125 -11.481 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.516 -10.345 -13.051 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.273 -10.674 -12.847 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.302 -8.009 -13.779 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.056 -8.338 -13.576 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.071 -7.001 -14.043 1.00 0.00 H new ATOM 723 N SER A 52 10.462 -15.333 -13.985 1.00 0.00 N ATOM 724 CA SER A 52 10.375 -16.767 -13.735 1.00 0.00 C ATOM 725 C SER A 52 10.921 -17.111 -12.352 1.00 0.00 C ATOM 726 O SER A 52 12.119 -16.985 -12.095 1.00 0.00 O ATOM 727 CB SER A 52 11.145 -17.540 -14.807 1.00 0.00 C ATOM 728 OG SER A 52 12.502 -17.132 -14.855 1.00 0.00 O ATOM 0 H SER A 52 10.735 -15.087 -14.937 1.00 0.00 H new ATOM 0 HA SER A 52 9.324 -17.055 -13.774 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.090 -18.609 -14.599 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.679 -17.381 -15.780 1.00 0.00 H new ATOM 0 HG SER A 52 12.816 -16.931 -13.948 1.00 0.00 H new ATOM 734 N THR A 53 10.033 -17.548 -11.464 1.00 0.00 N ATOM 735 CA THR A 53 10.424 -17.909 -10.108 1.00 0.00 C ATOM 736 C THR A 53 11.525 -16.991 -9.589 1.00 0.00 C ATOM 737 O THR A 53 12.484 -17.446 -8.968 1.00 0.00 O ATOM 738 CB THR A 53 10.911 -19.369 -10.034 1.00 0.00 C ATOM 739 OG1 THR A 53 12.071 -19.540 -10.856 1.00 0.00 O ATOM 740 CG2 THR A 53 9.818 -20.327 -10.482 1.00 0.00 C ATOM 0 H THR A 53 9.038 -17.660 -11.660 1.00 0.00 H new ATOM 0 HA THR A 53 9.538 -17.797 -9.484 1.00 0.00 H new ATOM 0 HB THR A 53 11.165 -19.593 -8.998 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.376 -20.470 -10.803 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.185 -21.352 -10.421 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.948 -20.214 -9.835 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.537 -20.103 -11.511 1.00 0.00 H new ATOM 748 N GLY A 54 11.379 -15.695 -9.848 1.00 0.00 N ATOM 749 CA GLY A 54 12.368 -14.733 -9.399 1.00 0.00 C ATOM 750 C GLY A 54 11.740 -13.498 -8.784 1.00 0.00 C ATOM 751 O GLY A 54 11.232 -12.632 -9.496 1.00 0.00 O ATOM 0 H GLY A 54 10.593 -15.294 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.024 -15.206 -8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.992 -14.438 -10.243 1.00 0.00 H new ATOM 755 N SER A 55 11.772 -13.418 -7.458 1.00 0.00 N ATOM 756 CA SER A 55 11.196 -12.283 -6.747 1.00 0.00 C ATOM 757 C SER A 55 11.425 -10.986 -7.517 1.00 0.00 C ATOM 758 O SER A 55 12.549 -10.678 -7.915 1.00 0.00 O ATOM 759 CB SER A 55 11.800 -12.171 -5.346 1.00 0.00 C ATOM 760 OG SER A 55 11.195 -11.121 -4.611 1.00 0.00 O ATOM 0 H SER A 55 12.191 -14.126 -6.854 1.00 0.00 H new ATOM 0 HA SER A 55 10.122 -12.448 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.669 -13.113 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.873 -11.994 -5.422 1.00 0.00 H new ATOM 0 HG SER A 55 11.598 -11.072 -3.719 1.00 0.00 H new ATOM 766 N PHE A 56 10.352 -10.230 -7.723 1.00 0.00 N ATOM 767 CA PHE A 56 10.435 -8.966 -8.446 1.00 0.00 C ATOM 768 C PHE A 56 10.607 -7.797 -7.481 1.00 0.00 C ATOM 769 O PHE A 56 10.414 -7.941 -6.274 1.00 0.00 O ATOM 770 CB PHE A 56 9.181 -8.759 -9.298 1.00 0.00 C ATOM 771 CG PHE A 56 8.079 -8.037 -8.576 1.00 0.00 C ATOM 772 CD1 PHE A 56 7.311 -8.690 -7.625 1.00 0.00 C ATOM 773 CD2 PHE A 56 7.810 -6.705 -8.849 1.00 0.00 C ATOM 774 CE1 PHE A 56 6.297 -8.029 -6.959 1.00 0.00 C ATOM 775 CE2 PHE A 56 6.797 -6.039 -8.186 1.00 0.00 C ATOM 776 CZ PHE A 56 6.039 -6.702 -7.240 1.00 0.00 C ATOM 0 H PHE A 56 9.415 -10.470 -7.400 1.00 0.00 H new ATOM 0 HA PHE A 56 11.307 -9.006 -9.099 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.448 -8.197 -10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.812 -9.730 -9.630 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.508 -9.728 -7.402 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.399 -6.182 -9.588 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.707 -8.550 -6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.598 -5.001 -8.407 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.246 -6.183 -6.721 1.00 0.00 H new ATOM 786 N PHE A 57 10.972 -6.640 -8.022 1.00 0.00 N ATOM 787 CA PHE A 57 11.172 -5.445 -7.210 1.00 0.00 C ATOM 788 C PHE A 57 10.289 -4.301 -7.698 1.00 0.00 C ATOM 789 O PHE A 57 10.140 -4.089 -8.901 1.00 0.00 O ATOM 790 CB PHE A 57 12.642 -5.020 -7.243 1.00 0.00 C ATOM 791 CG PHE A 57 13.557 -5.971 -6.526 1.00 0.00 C ATOM 792 CD1 PHE A 57 13.897 -7.188 -7.095 1.00 0.00 C ATOM 793 CD2 PHE A 57 14.078 -5.648 -5.284 1.00 0.00 C ATOM 794 CE1 PHE A 57 14.739 -8.065 -6.437 1.00 0.00 C ATOM 795 CE2 PHE A 57 14.921 -6.520 -4.621 1.00 0.00 C ATOM 796 CZ PHE A 57 15.252 -7.730 -5.199 1.00 0.00 C ATOM 0 H PHE A 57 11.135 -6.504 -9.020 1.00 0.00 H new ATOM 0 HA PHE A 57 10.893 -5.683 -6.184 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.963 -4.932 -8.281 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.736 -4.031 -6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.500 -7.454 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 57 13.822 -4.703 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.995 -9.011 -6.890 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.320 -6.256 -3.653 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.911 -8.413 -4.684 1.00 0.00 H new ATOM 806 N GLU A 58 9.706 -3.567 -6.755 1.00 0.00 N ATOM 807 CA GLU A 58 8.836 -2.446 -7.090 1.00 0.00 C ATOM 808 C GLU A 58 9.610 -1.131 -7.064 1.00 0.00 C ATOM 809 O GLU A 58 10.175 -0.750 -6.038 1.00 0.00 O ATOM 810 CB GLU A 58 7.658 -2.376 -6.115 1.00 0.00 C ATOM 811 CG GLU A 58 6.747 -1.183 -6.346 1.00 0.00 C ATOM 812 CD GLU A 58 6.009 -0.761 -5.090 1.00 0.00 C ATOM 813 OE1 GLU A 58 6.560 -0.950 -3.985 1.00 0.00 O ATOM 814 OE2 GLU A 58 4.880 -0.241 -5.212 1.00 0.00 O ATOM 0 H GLU A 58 9.820 -3.728 -5.754 1.00 0.00 H new ATOM 0 HA GLU A 58 8.454 -2.604 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.072 -3.291 -6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.043 -2.337 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.338 -0.345 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.023 -1.428 -7.123 1.00 0.00 H new ATOM 821 N LEU A 59 9.631 -0.441 -8.199 1.00 0.00 N ATOM 822 CA LEU A 59 10.336 0.831 -8.308 1.00 0.00 C ATOM 823 C LEU A 59 9.393 1.938 -8.769 1.00 0.00 C ATOM 824 O LEU A 59 9.022 2.003 -9.941 1.00 0.00 O ATOM 825 CB LEU A 59 11.508 0.706 -9.283 1.00 0.00 C ATOM 826 CG LEU A 59 12.345 1.968 -9.492 1.00 0.00 C ATOM 827 CD1 LEU A 59 13.369 2.121 -8.377 1.00 0.00 C ATOM 828 CD2 LEU A 59 13.033 1.933 -10.849 1.00 0.00 C ATOM 0 H LEU A 59 9.168 -0.741 -9.057 1.00 0.00 H new ATOM 0 HA LEU A 59 10.719 1.091 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.166 -0.088 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.118 0.389 -10.250 1.00 0.00 H new ATOM 0 HG LEU A 59 11.679 2.831 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.955 3.025 -8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.855 2.193 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.031 1.255 -8.370 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.624 2.839 -10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.686 1.062 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.282 1.873 -11.636 1.00 0.00 H new ATOM 840 N ASP A 60 9.010 2.807 -7.840 1.00 0.00 N ATOM 841 CA ASP A 60 8.113 3.914 -8.152 1.00 0.00 C ATOM 842 C ASP A 60 6.783 3.399 -8.693 1.00 0.00 C ATOM 843 O ASP A 60 6.218 3.970 -9.625 1.00 0.00 O ATOM 844 CB ASP A 60 8.762 4.854 -9.168 1.00 0.00 C ATOM 845 CG ASP A 60 9.933 5.619 -8.583 1.00 0.00 C ATOM 846 OD1 ASP A 60 10.893 4.970 -8.117 1.00 0.00 O ATOM 847 OD2 ASP A 60 9.891 6.867 -8.594 1.00 0.00 O ATOM 0 H ASP A 60 9.307 2.766 -6.865 1.00 0.00 H new ATOM 0 HA ASP A 60 7.921 4.465 -7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.102 4.276 -10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.016 5.560 -9.533 1.00 0.00 H new ATOM 852 N GLY A 61 6.288 2.315 -8.102 1.00 0.00 N ATOM 853 CA GLY A 61 5.029 1.741 -8.540 1.00 0.00 C ATOM 854 C GLY A 61 5.120 1.133 -9.925 1.00 0.00 C ATOM 855 O GLY A 61 4.197 1.264 -10.729 1.00 0.00 O ATOM 0 H GLY A 61 6.736 1.825 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.716 0.975 -7.830 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.260 2.513 -8.535 1.00 0.00 H new ATOM 859 N ARG A 62 6.236 0.468 -10.206 1.00 0.00 N ATOM 860 CA ARG A 62 6.444 -0.160 -11.505 1.00 0.00 C ATOM 861 C ARG A 62 7.232 -1.459 -11.361 1.00 0.00 C ATOM 862 O ARG A 62 8.266 -1.517 -10.696 1.00 0.00 O ATOM 863 CB ARG A 62 7.183 0.795 -12.444 1.00 0.00 C ATOM 864 CG ARG A 62 6.316 1.929 -12.965 1.00 0.00 C ATOM 865 CD ARG A 62 7.042 2.744 -14.024 1.00 0.00 C ATOM 866 NE ARG A 62 6.206 3.815 -14.560 1.00 0.00 N ATOM 867 CZ ARG A 62 6.058 4.996 -13.970 1.00 0.00 C ATOM 868 NH1 ARG A 62 6.687 5.257 -12.833 1.00 0.00 N ATOM 869 NH2 ARG A 62 5.279 5.920 -14.519 1.00 0.00 N ATOM 0 H ARG A 62 7.010 0.350 -9.552 1.00 0.00 H new ATOM 0 HA ARG A 62 5.467 -0.393 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.040 1.216 -11.919 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.574 0.229 -13.290 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.396 1.522 -13.385 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.029 2.578 -12.138 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.948 3.172 -13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.354 2.087 -14.836 1.00 0.00 H new ATOM 0 HE ARG A 62 5.709 3.647 -15.435 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.287 4.550 -12.408 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.571 6.165 -12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.794 5.723 -15.394 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.166 6.827 -14.066 1.00 0.00 H new ATOM 883 N PRO A 63 6.732 -2.528 -11.999 1.00 0.00 N ATOM 884 CA PRO A 63 7.372 -3.846 -11.956 1.00 0.00 C ATOM 885 C PRO A 63 8.686 -3.877 -12.730 1.00 0.00 C ATOM 886 O PRO A 63 8.763 -3.398 -13.861 1.00 0.00 O ATOM 887 CB PRO A 63 6.340 -4.763 -12.618 1.00 0.00 C ATOM 888 CG PRO A 63 5.549 -3.865 -13.505 1.00 0.00 C ATOM 889 CD PRO A 63 5.503 -2.533 -12.810 1.00 0.00 C ATOM 0 HA PRO A 63 7.633 -4.140 -10.939 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.823 -5.557 -13.188 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.705 -5.245 -11.875 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.015 -3.777 -14.487 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.545 -4.258 -13.663 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.489 -1.708 -13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.612 -2.434 -12.190 1.00 0.00 H new ATOM 897 N PHE A 64 9.717 -4.444 -12.112 1.00 0.00 N ATOM 898 CA PHE A 64 11.029 -4.537 -12.743 1.00 0.00 C ATOM 899 C PHE A 64 11.799 -5.745 -12.220 1.00 0.00 C ATOM 900 O PHE A 64 11.397 -6.377 -11.243 1.00 0.00 O ATOM 901 CB PHE A 64 11.831 -3.258 -12.491 1.00 0.00 C ATOM 902 CG PHE A 64 11.322 -2.071 -13.257 1.00 0.00 C ATOM 903 CD1 PHE A 64 11.441 -2.016 -14.636 1.00 0.00 C ATOM 904 CD2 PHE A 64 10.726 -1.008 -12.597 1.00 0.00 C ATOM 905 CE1 PHE A 64 10.973 -0.925 -15.344 1.00 0.00 C ATOM 906 CE2 PHE A 64 10.256 0.085 -13.300 1.00 0.00 C ATOM 907 CZ PHE A 64 10.381 0.128 -14.675 1.00 0.00 C ATOM 0 H PHE A 64 9.670 -4.846 -11.176 1.00 0.00 H new ATOM 0 HA PHE A 64 10.881 -4.659 -13.816 1.00 0.00 H new ATOM 0 HB2 PHE A 64 11.810 -3.029 -11.426 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.873 -3.433 -12.758 1.00 0.00 H new ATOM 0 HD1 PHE A 64 11.905 -2.836 -15.164 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.628 -1.034 -11.522 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.070 -0.896 -16.419 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.791 0.906 -12.774 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.017 0.983 -15.225 1.00 0.00 H new ATOM 917 N CYS A 65 12.909 -6.062 -12.879 1.00 0.00 N ATOM 918 CA CYS A 65 13.737 -7.195 -12.483 1.00 0.00 C ATOM 919 C CYS A 65 14.980 -6.725 -11.733 1.00 0.00 C ATOM 920 O CYS A 65 15.693 -5.833 -12.193 1.00 0.00 O ATOM 921 CB CYS A 65 14.147 -8.008 -13.712 1.00 0.00 C ATOM 922 SG CYS A 65 15.508 -7.271 -14.672 1.00 0.00 S ATOM 0 H CYS A 65 13.256 -5.550 -13.690 1.00 0.00 H new ATOM 0 HA CYS A 65 13.149 -7.827 -11.817 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.442 -9.007 -13.391 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.280 -8.125 -14.362 1.00 0.00 H new ATOM 927 N GLU A 66 15.233 -7.331 -10.578 1.00 0.00 N ATOM 928 CA GLU A 66 16.389 -6.974 -9.765 1.00 0.00 C ATOM 929 C GLU A 66 17.519 -6.430 -10.635 1.00 0.00 C ATOM 930 O GLU A 66 17.981 -5.305 -10.441 1.00 0.00 O ATOM 931 CB GLU A 66 16.880 -8.188 -8.974 1.00 0.00 C ATOM 932 CG GLU A 66 17.750 -7.828 -7.782 1.00 0.00 C ATOM 933 CD GLU A 66 18.643 -8.972 -7.343 1.00 0.00 C ATOM 934 OE1 GLU A 66 19.665 -9.218 -8.017 1.00 0.00 O ATOM 935 OE2 GLU A 66 18.319 -9.622 -6.328 1.00 0.00 O ATOM 0 H GLU A 66 14.653 -8.072 -10.184 1.00 0.00 H new ATOM 0 HA GLU A 66 16.083 -6.195 -9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.018 -8.756 -8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.444 -8.841 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 66 18.368 -6.967 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 66 17.113 -7.529 -6.949 1.00 0.00 H new ATOM 942 N LEU A 67 17.959 -7.236 -11.594 1.00 0.00 N ATOM 943 CA LEU A 67 19.035 -6.837 -12.495 1.00 0.00 C ATOM 944 C LEU A 67 18.926 -5.359 -12.852 1.00 0.00 C ATOM 945 O LEU A 67 19.817 -4.567 -12.542 1.00 0.00 O ATOM 946 CB LEU A 67 19.002 -7.685 -13.768 1.00 0.00 C ATOM 947 CG LEU A 67 20.088 -7.386 -14.802 1.00 0.00 C ATOM 948 CD1 LEU A 67 21.382 -8.096 -14.437 1.00 0.00 C ATOM 949 CD2 LEU A 67 19.627 -7.796 -16.193 1.00 0.00 C ATOM 0 H LEU A 67 17.588 -8.170 -11.768 1.00 0.00 H new ATOM 0 HA LEU A 67 19.983 -6.999 -11.983 1.00 0.00 H new ATOM 0 HB2 LEU A 67 19.078 -8.734 -13.484 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.030 -7.553 -14.243 1.00 0.00 H new ATOM 0 HG LEU A 67 20.275 -6.312 -14.805 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.143 -7.872 -15.184 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.721 -7.754 -13.459 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.210 -9.172 -14.406 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.412 -7.576 -16.916 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.412 -8.864 -16.205 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.726 -7.242 -16.456 1.00 0.00 H new ATOM 961 N HIS A 68 17.828 -4.992 -13.505 1.00 0.00 N ATOM 962 CA HIS A 68 17.601 -3.607 -13.902 1.00 0.00 C ATOM 963 C HIS A 68 17.311 -2.734 -12.685 1.00 0.00 C ATOM 964 O HIS A 68 17.846 -1.632 -12.558 1.00 0.00 O ATOM 965 CB HIS A 68 16.439 -3.522 -14.893 1.00 0.00 C ATOM 966 CG HIS A 68 16.862 -3.650 -16.324 1.00 0.00 C ATOM 967 ND1 HIS A 68 16.386 -4.633 -17.165 1.00 0.00 N ATOM 968 CD2 HIS A 68 17.722 -2.909 -17.062 1.00 0.00 C ATOM 969 CE1 HIS A 68 16.935 -4.493 -18.358 1.00 0.00 C ATOM 970 NE2 HIS A 68 17.749 -3.454 -18.323 1.00 0.00 N ATOM 0 H HIS A 68 17.082 -5.634 -13.770 1.00 0.00 H new ATOM 0 HA HIS A 68 18.507 -3.240 -14.384 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.719 -4.307 -14.664 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.926 -2.570 -14.758 1.00 0.00 H new ATOM 0 HD2 HIS A 68 18.282 -2.050 -16.723 1.00 0.00 H new ATOM 0 HE1 HIS A 68 16.750 -5.122 -19.216 1.00 0.00 H new ATOM 0 HE2 HIS A 68 18.307 -3.112 -19.105 1.00 0.00 H new ATOM 978 N TYR A 69 16.462 -3.232 -11.793 1.00 0.00 N ATOM 979 CA TYR A 69 16.100 -2.496 -10.588 1.00 0.00 C ATOM 980 C TYR A 69 17.268 -1.646 -10.097 1.00 0.00 C ATOM 981 O TYR A 69 17.193 -0.417 -10.080 1.00 0.00 O ATOM 982 CB TYR A 69 15.659 -3.462 -9.488 1.00 0.00 C ATOM 983 CG TYR A 69 15.452 -2.798 -8.146 1.00 0.00 C ATOM 984 CD1 TYR A 69 14.548 -1.753 -7.997 1.00 0.00 C ATOM 985 CD2 TYR A 69 16.161 -3.214 -7.026 1.00 0.00 C ATOM 986 CE1 TYR A 69 14.357 -1.143 -6.773 1.00 0.00 C ATOM 987 CE2 TYR A 69 15.975 -2.611 -5.797 1.00 0.00 C ATOM 988 CZ TYR A 69 15.072 -1.575 -5.676 1.00 0.00 C ATOM 989 OH TYR A 69 14.884 -0.971 -4.454 1.00 0.00 O ATOM 0 H TYR A 69 16.012 -4.143 -11.882 1.00 0.00 H new ATOM 0 HA TYR A 69 15.270 -1.833 -10.833 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.731 -3.946 -9.792 1.00 0.00 H new ATOM 0 HB3 TYR A 69 16.408 -4.247 -9.384 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.985 -1.412 -8.853 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.870 -4.023 -7.118 1.00 0.00 H new ATOM 0 HE1 TYR A 69 13.651 -0.332 -6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 69 16.533 -2.949 -4.936 1.00 0.00 H new ATOM 0 HH TYR A 69 15.463 -1.395 -3.787 1.00 0.00 H new ATOM 999 N HIS A 70 18.347 -2.311 -9.697 1.00 0.00 N ATOM 1000 CA HIS A 70 19.533 -1.619 -9.205 1.00 0.00 C ATOM 1001 C HIS A 70 20.065 -0.644 -10.251 1.00 0.00 C ATOM 1002 O HIS A 70 20.328 0.522 -9.952 1.00 0.00 O ATOM 1003 CB HIS A 70 20.620 -2.627 -8.831 1.00 0.00 C ATOM 1004 CG HIS A 70 20.269 -3.474 -7.647 1.00 0.00 C ATOM 1005 ND1 HIS A 70 20.557 -3.108 -6.349 1.00 0.00 N ATOM 1006 CD2 HIS A 70 19.649 -4.675 -7.570 1.00 0.00 C ATOM 1007 CE1 HIS A 70 20.131 -4.049 -5.524 1.00 0.00 C ATOM 1008 NE2 HIS A 70 19.576 -5.010 -6.240 1.00 0.00 N ATOM 0 H HIS A 70 18.425 -3.328 -9.704 1.00 0.00 H new ATOM 0 HA HIS A 70 19.251 -1.054 -8.316 1.00 0.00 H new ATOM 0 HB2 HIS A 70 20.813 -3.275 -9.686 1.00 0.00 H new ATOM 0 HB3 HIS A 70 21.545 -2.090 -8.622 1.00 0.00 H new ATOM 0 HD2 HIS A 70 19.281 -5.260 -8.399 1.00 0.00 H new ATOM 0 HE1 HIS A 70 20.221 -4.034 -4.448 1.00 0.00 H new ATOM 0 HE2 HIS A 70 19.160 -5.863 -5.866 1.00 0.00 H new ATOM 1016 N HIS A 71 20.222 -1.128 -11.479 1.00 0.00 N ATOM 1017 CA HIS A 71 20.724 -0.299 -12.570 1.00 0.00 C ATOM 1018 C HIS A 71 20.014 1.052 -12.596 1.00 0.00 C ATOM 1019 O HIS A 71 20.656 2.102 -12.598 1.00 0.00 O ATOM 1020 CB HIS A 71 20.537 -1.013 -13.909 1.00 0.00 C ATOM 1021 CG HIS A 71 20.842 -0.151 -15.095 1.00 0.00 C ATOM 1022 ND1 HIS A 71 19.991 0.835 -15.548 1.00 0.00 N ATOM 1023 CD2 HIS A 71 21.914 -0.129 -15.921 1.00 0.00 C ATOM 1024 CE1 HIS A 71 20.525 1.424 -16.603 1.00 0.00 C ATOM 1025 NE2 HIS A 71 21.692 0.858 -16.850 1.00 0.00 N ATOM 0 H HIS A 71 20.009 -2.090 -11.744 1.00 0.00 H new ATOM 0 HA HIS A 71 21.788 -0.128 -12.404 1.00 0.00 H new ATOM 0 HB2 HIS A 71 21.180 -1.893 -13.935 1.00 0.00 H new ATOM 0 HB3 HIS A 71 19.509 -1.367 -13.982 1.00 0.00 H new ATOM 0 HD2 HIS A 71 22.782 -0.768 -15.861 1.00 0.00 H new ATOM 0 HE1 HIS A 71 20.082 2.231 -17.168 1.00 0.00 H new ATOM 0 HE2 HIS A 71 22.326 1.112 -17.608 1.00 0.00 H new ATOM 1033 N ARG A 72 18.685 1.016 -12.617 1.00 0.00 N ATOM 1034 CA ARG A 72 17.889 2.237 -12.645 1.00 0.00 C ATOM 1035 C ARG A 72 18.196 3.115 -11.435 1.00 0.00 C ATOM 1036 O ARG A 72 18.413 4.319 -11.569 1.00 0.00 O ATOM 1037 CB ARG A 72 16.398 1.897 -12.677 1.00 0.00 C ATOM 1038 CG ARG A 72 15.855 1.667 -14.078 1.00 0.00 C ATOM 1039 CD ARG A 72 14.417 1.173 -14.044 1.00 0.00 C ATOM 1040 NE ARG A 72 13.462 2.275 -13.963 1.00 0.00 N ATOM 1041 CZ ARG A 72 13.296 3.176 -14.924 1.00 0.00 C ATOM 1042 NH1 ARG A 72 14.017 3.106 -16.035 1.00 0.00 N ATOM 1043 NH2 ARG A 72 12.406 4.150 -14.776 1.00 0.00 N ATOM 0 H ARG A 72 18.138 0.155 -12.615 1.00 0.00 H new ATOM 0 HA ARG A 72 18.149 2.790 -13.548 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.225 1.003 -12.078 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.839 2.707 -12.209 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.909 2.595 -14.647 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.479 0.939 -14.596 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.215 0.583 -14.938 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.281 0.512 -13.188 1.00 0.00 H new ATOM 0 HE ARG A 72 12.891 2.357 -13.122 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.701 2.359 -16.153 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.887 3.800 -16.772 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.849 4.207 -13.923 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.279 4.842 -15.515 1.00 0.00 H new ATOM 1057 N ARG A 73 18.211 2.503 -10.256 1.00 0.00 N ATOM 1058 CA ARG A 73 18.490 3.229 -9.022 1.00 0.00 C ATOM 1059 C ARG A 73 19.685 4.161 -9.198 1.00 0.00 C ATOM 1060 O ARG A 73 19.645 5.322 -8.792 1.00 0.00 O ATOM 1061 CB ARG A 73 18.758 2.249 -7.878 1.00 0.00 C ATOM 1062 CG ARG A 73 17.546 1.417 -7.493 1.00 0.00 C ATOM 1063 CD ARG A 73 17.605 0.987 -6.036 1.00 0.00 C ATOM 1064 NE ARG A 73 18.896 0.396 -5.691 1.00 0.00 N ATOM 1065 CZ ARG A 73 19.896 1.081 -5.150 1.00 0.00 C ATOM 1066 NH1 ARG A 73 19.756 2.374 -4.891 1.00 0.00 N ATOM 1067 NH2 ARG A 73 21.041 0.473 -4.865 1.00 0.00 N ATOM 0 H ARG A 73 18.033 1.507 -10.129 1.00 0.00 H new ATOM 0 HA ARG A 73 17.615 3.831 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 73 19.570 1.581 -8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 73 19.098 2.807 -7.005 1.00 0.00 H new ATOM 0 HG2 ARG A 73 16.638 1.994 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.491 0.535 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.418 1.849 -5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 73 16.812 0.266 -5.839 1.00 0.00 H new ATOM 0 HE ARG A 73 19.036 -0.597 -5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.878 2.845 -5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 73 20.527 2.897 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.153 -0.522 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 73 21.809 1.000 -4.449 1.00 0.00 H new ATOM 1081 N GLY A 74 20.749 3.643 -9.806 1.00 0.00 N ATOM 1082 CA GLY A 74 21.940 4.442 -10.024 1.00 0.00 C ATOM 1083 C GLY A 74 21.683 5.633 -10.927 1.00 0.00 C ATOM 1084 O GLY A 74 21.340 6.716 -10.454 1.00 0.00 O ATOM 0 H GLY A 74 20.807 2.685 -10.151 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.319 4.793 -9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.717 3.817 -10.464 1.00 0.00 H new ATOM 1088 N SER A 75 21.851 5.432 -12.230 1.00 0.00 N ATOM 1089 CA SER A 75 21.640 6.499 -13.201 1.00 0.00 C ATOM 1090 C SER A 75 20.365 7.276 -12.886 1.00 0.00 C ATOM 1091 O SER A 75 20.404 8.478 -12.628 1.00 0.00 O ATOM 1092 CB SER A 75 21.563 5.923 -14.616 1.00 0.00 C ATOM 1093 OG SER A 75 21.184 6.917 -15.552 1.00 0.00 O ATOM 0 H SER A 75 22.133 4.540 -12.638 1.00 0.00 H new ATOM 0 HA SER A 75 22.486 7.183 -13.141 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.531 5.506 -14.895 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.844 5.104 -14.640 1.00 0.00 H new ATOM 0 HG SER A 75 21.144 6.524 -16.449 1.00 0.00 H new ATOM 1099 N GLY A 76 19.233 6.578 -12.911 1.00 0.00 N ATOM 1100 CA GLY A 76 17.961 7.217 -12.627 1.00 0.00 C ATOM 1101 C GLY A 76 17.104 7.378 -13.866 1.00 0.00 C ATOM 1102 O GLY A 76 17.598 7.368 -14.994 1.00 0.00 O ATOM 0 H GLY A 76 19.174 5.582 -13.123 1.00 0.00 H new ATOM 0 HA2 GLY A 76 17.419 6.627 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.141 8.196 -12.184 1.00 0.00 H new ATOM 1106 N PRO A 77 15.787 7.531 -13.664 1.00 0.00 N ATOM 1107 CA PRO A 77 14.831 7.697 -14.763 1.00 0.00 C ATOM 1108 C PRO A 77 14.979 9.044 -15.461 1.00 0.00 C ATOM 1109 O PRO A 77 14.129 9.436 -16.261 1.00 0.00 O ATOM 1110 CB PRO A 77 13.471 7.601 -14.068 1.00 0.00 C ATOM 1111 CG PRO A 77 13.734 8.018 -12.662 1.00 0.00 C ATOM 1112 CD PRO A 77 15.129 7.553 -12.347 1.00 0.00 C ATOM 0 HA PRO A 77 14.978 6.954 -15.547 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.737 8.252 -14.543 1.00 0.00 H new ATOM 0 HB3 PRO A 77 13.074 6.587 -14.113 1.00 0.00 H new ATOM 0 HG2 PRO A 77 13.649 9.099 -12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.010 7.571 -11.980 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.632 8.231 -11.658 1.00 0.00 H new ATOM 0 HD3 PRO A 77 15.129 6.567 -11.882 1.00 0.00 H new ATOM 1120 N SER A 78 16.064 9.749 -15.155 1.00 0.00 N ATOM 1121 CA SER A 78 16.321 11.054 -15.751 1.00 0.00 C ATOM 1122 C SER A 78 15.247 12.059 -15.343 1.00 0.00 C ATOM 1123 O SER A 78 14.755 12.827 -16.170 1.00 0.00 O ATOM 1124 CB SER A 78 16.377 10.940 -17.275 1.00 0.00 C ATOM 1125 OG SER A 78 17.412 10.062 -17.683 1.00 0.00 O ATOM 0 H SER A 78 16.779 9.438 -14.498 1.00 0.00 H new ATOM 0 HA SER A 78 17.284 11.410 -15.385 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.420 10.579 -17.651 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.539 11.926 -17.711 1.00 0.00 H new ATOM 0 HG SER A 78 17.426 10.005 -18.661 1.00 0.00 H new ATOM 1131 N SER A 79 14.888 12.045 -14.064 1.00 0.00 N ATOM 1132 CA SER A 79 13.870 12.952 -13.546 1.00 0.00 C ATOM 1133 C SER A 79 14.385 14.388 -13.517 1.00 0.00 C ATOM 1134 O SER A 79 15.479 14.657 -13.023 1.00 0.00 O ATOM 1135 CB SER A 79 13.443 12.523 -12.141 1.00 0.00 C ATOM 1136 OG SER A 79 14.420 12.880 -11.179 1.00 0.00 O ATOM 0 H SER A 79 15.287 11.416 -13.367 1.00 0.00 H new ATOM 0 HA SER A 79 13.007 12.908 -14.210 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.491 12.991 -11.888 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.284 11.445 -12.119 1.00 0.00 H new ATOM 0 HG SER A 79 15.099 13.449 -11.598 1.00 0.00 H new ATOM 1142 N GLY A 80 13.586 15.307 -14.051 1.00 0.00 N ATOM 1143 CA GLY A 80 13.977 16.704 -14.077 1.00 0.00 C ATOM 1144 C GLY A 80 14.059 17.309 -12.690 1.00 0.00 C ATOM 1145 O GLY A 80 14.676 16.710 -11.810 1.00 0.00 O ATOM 0 H GLY A 80 12.675 15.109 -14.466 1.00 0.00 H new ATOM 0 HA2 GLY A 80 14.945 16.798 -14.569 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.260 17.268 -14.674 1.00 0.00 H new TER 1149 GLY A 80 HETATM 1150 ZN ZN A 201 -2.915 -8.024 -18.055 1.00 0.00 ZN HETATM 1151 ZN ZN A 401 14.683 -6.048 -16.466 1.00 0.00 ZN