USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 SER OG : rot -94:sc= 0.252 USER MOD Set 1.2: A 94 LYS NZ :NH3+ -178:sc= 0.874 (180deg=0.594) USER MOD Set 2.1: A 45 THR OG1 : rot -120:sc= 0.188 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 60 ASN : amide:sc= -0.143 X(o=0.045,f=0.15) USER MOD Set 3.1: A 36 GLN : amide:sc= 0 X(o=1.1,f=1.1) USER MOD Set 3.2: A 40 TYR OH : rot -176:sc= 1.11 USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.0187) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -119:sc= 0.618 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 178:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0831) USER MOD Single : A 17 GLN : amide:sc= -0.459 K(o=-0.46,f=-1.9) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.29) USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.0256 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= 0.539 (180deg=-0.719) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 51 THR OG1 : rot 68:sc= 0.142 USER MOD Single : A 57 SER OG : rot -38:sc= 0.0899 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.24 F(o=-1.5,f=-0.24) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 127:sc= 1.24 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= -0.179 (180deg=-0.602) USER MOD Single : A 80 SER OG : rot -45:sc= 0.471 USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -1.54 (180deg=-2.4!) USER MOD Single : A 85 LYS NZ :NH3+ 176:sc= -2.03! (180deg=-2.17!) USER MOD Single : A 88 THR OG1 : rot 14:sc= 0.829 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 163:sc= -1.96! (180deg=-2.61!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.856 23.030 15.229 1.00 0.00 N ATOM 2 CA GLY A 1 14.753 22.001 16.306 1.00 0.00 C ATOM 3 C GLY A 1 13.318 21.766 16.742 1.00 0.00 C ATOM 4 O GLY A 1 13.032 21.639 17.933 1.00 0.00 O ATOM 0 H1 GLY A 1 15.858 23.230 15.035 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.400 22.674 14.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.382 23.903 15.536 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.181 21.063 15.952 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.345 22.317 17.165 1.00 0.00 H new ATOM 7 N SER A 2 12.423 21.706 15.777 1.00 0.00 N ATOM 8 CA SER A 2 11.011 21.506 16.047 1.00 0.00 C ATOM 9 C SER A 2 10.470 20.386 15.165 1.00 0.00 C ATOM 10 O SER A 2 9.289 20.378 14.809 1.00 0.00 O ATOM 11 CB SER A 2 10.250 22.800 15.756 1.00 0.00 C ATOM 12 OG SER A 2 10.909 23.922 16.331 1.00 0.00 O ATOM 0 H SER A 2 12.651 21.794 14.787 1.00 0.00 H new ATOM 0 HA SER A 2 10.879 21.232 17.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.162 22.939 14.679 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.237 22.727 16.152 1.00 0.00 H new ATOM 0 HG SER A 2 10.404 24.737 16.129 1.00 0.00 H new ATOM 18 N MET A 3 11.352 19.438 14.820 1.00 0.00 N ATOM 19 CA MET A 3 11.014 18.335 13.911 1.00 0.00 C ATOM 20 C MET A 3 10.695 18.886 12.533 1.00 0.00 C ATOM 21 O MET A 3 9.993 18.256 11.736 1.00 0.00 O ATOM 22 CB MET A 3 9.842 17.494 14.446 1.00 0.00 C ATOM 23 CG MET A 3 10.188 16.666 15.670 1.00 0.00 C ATOM 24 SD MET A 3 11.512 15.481 15.350 1.00 0.00 S ATOM 25 CE MET A 3 11.727 14.769 16.979 1.00 0.00 C ATOM 0 H MET A 3 12.313 19.414 15.161 1.00 0.00 H new ATOM 0 HA MET A 3 11.878 17.674 13.842 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.013 18.158 14.691 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.494 16.829 13.656 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.487 17.330 16.481 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.300 16.132 16.006 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.514 14.016 16.946 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.004 15.552 17.685 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.794 14.305 17.299 1.00 0.00 H new ATOM 35 N SER A 4 11.244 20.054 12.251 1.00 0.00 N ATOM 36 CA SER A 4 11.027 20.733 10.999 1.00 0.00 C ATOM 37 C SER A 4 11.926 20.160 9.911 1.00 0.00 C ATOM 38 O SER A 4 12.913 20.781 9.511 1.00 0.00 O ATOM 39 CB SER A 4 11.289 22.231 11.166 1.00 0.00 C ATOM 40 OG SER A 4 10.518 22.771 12.229 1.00 0.00 O ATOM 0 H SER A 4 11.857 20.557 12.893 1.00 0.00 H new ATOM 0 HA SER A 4 9.990 20.583 10.699 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.348 22.398 11.360 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.049 22.751 10.238 1.00 0.00 H new ATOM 0 HG SER A 4 9.923 23.467 11.880 1.00 0.00 H new ATOM 46 N SER A 5 11.603 18.969 9.458 1.00 0.00 N ATOM 47 CA SER A 5 12.359 18.344 8.408 1.00 0.00 C ATOM 48 C SER A 5 11.983 18.977 7.084 1.00 0.00 C ATOM 49 O SER A 5 10.861 18.817 6.620 1.00 0.00 O ATOM 50 CB SER A 5 12.099 16.842 8.381 1.00 0.00 C ATOM 51 OG SER A 5 12.983 16.179 7.490 1.00 0.00 O ATOM 0 H SER A 5 10.819 18.417 9.805 1.00 0.00 H new ATOM 0 HA SER A 5 13.423 18.493 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.217 16.433 9.384 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.068 16.655 8.080 1.00 0.00 H new ATOM 0 HG SER A 5 12.793 15.218 7.496 1.00 0.00 H new ATOM 57 N VAL A 6 12.931 19.724 6.515 1.00 0.00 N ATOM 58 CA VAL A 6 12.777 20.471 5.258 1.00 0.00 C ATOM 59 C VAL A 6 11.552 21.428 5.278 1.00 0.00 C ATOM 60 O VAL A 6 11.099 21.894 4.246 1.00 0.00 O ATOM 61 CB VAL A 6 12.777 19.533 3.996 1.00 0.00 C ATOM 62 CG1 VAL A 6 11.457 18.822 3.807 1.00 0.00 C ATOM 63 CG2 VAL A 6 13.180 20.295 2.739 1.00 0.00 C ATOM 0 H VAL A 6 13.858 19.831 6.927 1.00 0.00 H new ATOM 0 HA VAL A 6 13.661 21.104 5.174 1.00 0.00 H new ATOM 0 HB VAL A 6 13.527 18.763 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.509 18.187 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.246 18.208 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.663 19.557 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.170 19.618 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.476 21.109 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.182 20.703 2.867 1.00 0.00 H new ATOM 73 N PHE A 7 11.049 21.731 6.475 1.00 0.00 N ATOM 74 CA PHE A 7 9.948 22.692 6.631 1.00 0.00 C ATOM 75 C PHE A 7 10.397 23.866 7.479 1.00 0.00 C ATOM 76 O PHE A 7 11.549 23.930 7.909 1.00 0.00 O ATOM 77 CB PHE A 7 8.705 22.048 7.290 1.00 0.00 C ATOM 78 CG PHE A 7 8.079 20.944 6.485 1.00 0.00 C ATOM 79 CD1 PHE A 7 7.971 19.665 7.006 1.00 0.00 C ATOM 80 CD2 PHE A 7 7.598 21.185 5.209 1.00 0.00 C ATOM 81 CE1 PHE A 7 7.397 18.648 6.270 1.00 0.00 C ATOM 82 CE2 PHE A 7 7.022 20.171 4.469 1.00 0.00 C ATOM 83 CZ PHE A 7 6.921 18.902 4.999 1.00 0.00 C ATOM 0 H PHE A 7 11.383 21.328 7.351 1.00 0.00 H new ATOM 0 HA PHE A 7 9.673 23.028 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.989 21.654 8.266 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.958 22.823 7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.340 19.461 8.000 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.674 22.177 4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.320 17.655 6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.651 20.372 3.475 1.00 0.00 H new ATOM 0 HZ PHE A 7 6.471 18.108 4.421 1.00 0.00 H new ATOM 93 N GLY A 8 9.492 24.791 7.704 1.00 0.00 N ATOM 94 CA GLY A 8 9.765 25.919 8.556 1.00 0.00 C ATOM 95 C GLY A 8 9.258 25.674 9.956 1.00 0.00 C ATOM 96 O GLY A 8 9.220 24.532 10.418 1.00 0.00 O ATOM 0 H GLY A 8 8.554 24.781 7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.838 26.108 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.293 26.812 8.146 1.00 0.00 H new ATOM 100 N ALA A 9 8.842 26.723 10.627 1.00 0.00 N ATOM 101 CA ALA A 9 8.336 26.584 11.976 1.00 0.00 C ATOM 102 C ALA A 9 6.819 26.657 11.988 1.00 0.00 C ATOM 103 O ALA A 9 6.165 25.964 12.759 1.00 0.00 O ATOM 104 CB ALA A 9 8.939 27.636 12.889 1.00 0.00 C ATOM 0 H ALA A 9 8.843 27.677 10.265 1.00 0.00 H new ATOM 0 HA ALA A 9 8.631 25.605 12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.544 27.512 13.897 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.023 27.524 12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.683 28.629 12.519 1.00 0.00 H new ATOM 110 N GLY A 10 6.266 27.481 11.115 1.00 0.00 N ATOM 111 CA GLY A 10 4.830 27.618 11.042 1.00 0.00 C ATOM 112 C GLY A 10 4.313 27.552 9.623 1.00 0.00 C ATOM 113 O GLY A 10 3.678 28.496 9.145 1.00 0.00 O ATOM 0 H GLY A 10 6.787 28.058 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.363 26.830 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.536 28.568 11.489 1.00 0.00 H new ATOM 117 N CYS A 11 4.600 26.454 8.935 1.00 0.00 N ATOM 118 CA CYS A 11 4.124 26.268 7.579 1.00 0.00 C ATOM 119 C CYS A 11 2.632 26.014 7.552 1.00 0.00 C ATOM 120 O CYS A 11 2.020 25.711 8.577 1.00 0.00 O ATOM 121 CB CYS A 11 4.833 25.104 6.945 1.00 0.00 C ATOM 122 SG CYS A 11 6.602 25.215 7.068 1.00 0.00 S ATOM 0 H CYS A 11 5.160 25.682 9.297 1.00 0.00 H new ATOM 0 HA CYS A 11 4.332 27.182 7.022 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.499 24.181 7.419 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.551 25.043 5.894 1.00 0.00 H new ATOM 127 N THR A 12 2.056 26.115 6.379 1.00 0.00 N ATOM 128 CA THR A 12 0.647 25.880 6.207 1.00 0.00 C ATOM 129 C THR A 12 0.362 24.395 6.043 1.00 0.00 C ATOM 130 O THR A 12 1.284 23.585 5.873 1.00 0.00 O ATOM 131 CB THR A 12 0.115 26.632 4.979 1.00 0.00 C ATOM 132 OG1 THR A 12 0.863 26.254 3.808 1.00 0.00 O ATOM 133 CG2 THR A 12 0.224 28.121 5.189 1.00 0.00 C ATOM 0 H THR A 12 2.550 26.361 5.521 1.00 0.00 H new ATOM 0 HA THR A 12 0.142 26.246 7.101 1.00 0.00 H new ATOM 0 HB THR A 12 -0.933 26.369 4.838 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.492 26.707 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.157 28.641 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.360 28.409 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.268 28.391 5.346 1.00 0.00 H new ATOM 141 N ASP A 13 -0.907 24.040 6.089 1.00 0.00 N ATOM 142 CA ASP A 13 -1.324 22.663 5.899 1.00 0.00 C ATOM 143 C ASP A 13 -1.160 22.280 4.432 1.00 0.00 C ATOM 144 O ASP A 13 -1.003 21.111 4.085 1.00 0.00 O ATOM 145 CB ASP A 13 -2.782 22.492 6.343 1.00 0.00 C ATOM 146 CG ASP A 13 -3.289 21.072 6.201 1.00 0.00 C ATOM 147 OD1 ASP A 13 -2.869 20.204 6.985 1.00 0.00 O ATOM 148 OD2 ASP A 13 -4.135 20.826 5.313 1.00 0.00 O ATOM 0 H ASP A 13 -1.673 24.692 6.258 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.701 22.006 6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.876 22.802 7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.414 23.157 5.754 1.00 0.00 H new ATOM 153 N VAL A 14 -1.165 23.297 3.580 1.00 0.00 N ATOM 154 CA VAL A 14 -1.001 23.119 2.144 1.00 0.00 C ATOM 155 C VAL A 14 0.427 22.661 1.826 1.00 0.00 C ATOM 156 O VAL A 14 0.662 21.929 0.858 1.00 0.00 O ATOM 157 CB VAL A 14 -1.296 24.442 1.389 1.00 0.00 C ATOM 158 CG1 VAL A 14 -1.348 24.215 -0.111 1.00 0.00 C ATOM 159 CG2 VAL A 14 -2.593 25.067 1.880 1.00 0.00 C ATOM 0 H VAL A 14 -1.283 24.269 3.866 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.709 22.358 1.815 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.480 25.134 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.556 25.159 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.390 23.825 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.136 23.498 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.779 25.993 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.418 24.375 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.513 25.281 2.946 1.00 0.00 H new ATOM 169 N CYS A 15 1.369 23.075 2.665 1.00 0.00 N ATOM 170 CA CYS A 15 2.768 22.721 2.497 1.00 0.00 C ATOM 171 C CYS A 15 2.992 21.257 2.877 1.00 0.00 C ATOM 172 O CYS A 15 3.904 20.598 2.375 1.00 0.00 O ATOM 173 CB CYS A 15 3.636 23.641 3.366 1.00 0.00 C ATOM 174 SG CYS A 15 5.402 23.270 3.343 1.00 0.00 S ATOM 0 H CYS A 15 1.183 23.663 3.477 1.00 0.00 H new ATOM 0 HA CYS A 15 3.050 22.849 1.452 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.492 24.670 3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.282 23.584 4.395 1.00 0.00 H new ATOM 179 N LYS A 16 2.122 20.741 3.739 1.00 0.00 N ATOM 180 CA LYS A 16 2.235 19.369 4.215 1.00 0.00 C ATOM 181 C LYS A 16 1.585 18.387 3.228 1.00 0.00 C ATOM 182 O LYS A 16 1.493 17.189 3.501 1.00 0.00 O ATOM 183 CB LYS A 16 1.601 19.234 5.613 1.00 0.00 C ATOM 184 CG LYS A 16 2.070 20.294 6.616 1.00 0.00 C ATOM 185 CD LYS A 16 3.565 20.182 6.927 1.00 0.00 C ATOM 186 CE LYS A 16 4.127 21.518 7.374 1.00 0.00 C ATOM 187 NZ LYS A 16 3.551 21.961 8.668 1.00 0.00 N ATOM 0 H LYS A 16 1.329 21.255 4.123 1.00 0.00 H new ATOM 0 HA LYS A 16 3.294 19.119 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.517 19.295 5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.831 18.246 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.858 21.286 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.501 20.193 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.723 19.437 7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.100 19.836 6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.210 21.442 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.924 22.270 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.069 22.795 9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.549 22.205 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.632 21.193 9.365 1.00 0.00 H new ATOM 201 N GLN A 17 1.141 18.904 2.077 1.00 0.00 N ATOM 202 CA GLN A 17 0.544 18.060 1.033 1.00 0.00 C ATOM 203 C GLN A 17 1.605 17.197 0.356 1.00 0.00 C ATOM 204 O GLN A 17 2.785 17.252 0.702 1.00 0.00 O ATOM 205 CB GLN A 17 -0.174 18.901 -0.032 1.00 0.00 C ATOM 206 CG GLN A 17 -1.548 19.406 0.366 1.00 0.00 C ATOM 207 CD GLN A 17 -2.269 20.092 -0.789 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.050 19.768 -1.953 1.00 0.00 O ATOM 209 NE2 GLN A 17 -3.132 21.034 -0.468 1.00 0.00 N ATOM 0 H GLN A 17 1.183 19.896 1.844 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.187 17.418 1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.453 19.757 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.272 18.304 -0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.150 18.571 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.449 20.105 1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.285 21.273 0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.647 21.524 -1.199 1.00 0.00 H new ATOM 218 N THR A 18 1.180 16.409 -0.611 1.00 0.00 N ATOM 219 CA THR A 18 2.079 15.538 -1.358 1.00 0.00 C ATOM 220 C THR A 18 1.486 15.226 -2.744 1.00 0.00 C ATOM 221 O THR A 18 0.573 14.409 -2.864 1.00 0.00 O ATOM 222 CB THR A 18 2.357 14.215 -0.599 1.00 0.00 C ATOM 223 OG1 THR A 18 2.848 14.507 0.725 1.00 0.00 O ATOM 224 CG2 THR A 18 3.391 13.376 -1.341 1.00 0.00 C ATOM 0 H THR A 18 0.205 16.351 -0.904 1.00 0.00 H new ATOM 0 HA THR A 18 3.026 16.066 -1.475 1.00 0.00 H new ATOM 0 HB THR A 18 1.425 13.654 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.021 13.669 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 18 3.572 12.452 -0.792 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.020 13.139 -2.338 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.322 13.936 -1.425 1.00 0.00 H new ATOM 232 N PRO A 19 1.991 15.885 -3.813 1.00 0.00 N ATOM 233 CA PRO A 19 3.094 16.850 -3.717 1.00 0.00 C ATOM 234 C PRO A 19 2.663 18.138 -3.036 1.00 0.00 C ATOM 235 O PRO A 19 1.470 18.355 -2.805 1.00 0.00 O ATOM 236 CB PRO A 19 3.457 17.122 -5.179 1.00 0.00 C ATOM 237 CG PRO A 19 2.198 16.862 -5.931 1.00 0.00 C ATOM 238 CD PRO A 19 1.494 15.755 -5.197 1.00 0.00 C ATOM 0 HA PRO A 19 3.923 16.467 -3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.798 18.148 -5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.262 16.469 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.578 17.757 -5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.411 16.573 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.411 15.867 -5.246 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.733 14.779 -5.619 1.00 0.00 H new ATOM 246 N CYS A 20 3.633 18.975 -2.706 1.00 0.00 N ATOM 247 CA CYS A 20 3.370 20.232 -2.038 1.00 0.00 C ATOM 248 C CYS A 20 2.326 21.032 -2.805 1.00 0.00 C ATOM 249 O CYS A 20 2.522 21.381 -3.972 1.00 0.00 O ATOM 250 CB CYS A 20 4.652 21.028 -1.902 1.00 0.00 C ATOM 251 SG CYS A 20 4.511 22.448 -0.816 1.00 0.00 S ATOM 0 H CYS A 20 4.620 18.800 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 20 2.981 20.024 -1.041 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.438 20.372 -1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.964 21.367 -2.890 1.00 0.00 H new ATOM 256 N GLY A 21 1.227 21.323 -2.142 1.00 0.00 N ATOM 257 CA GLY A 21 0.129 21.983 -2.789 1.00 0.00 C ATOM 258 C GLY A 21 0.349 23.461 -2.982 1.00 0.00 C ATOM 259 O GLY A 21 -0.335 24.085 -3.780 1.00 0.00 O ATOM 0 H GLY A 21 1.077 21.110 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.043 21.519 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.775 21.832 -2.199 1.00 0.00 H new ATOM 263 N CYS A 22 1.315 24.027 -2.274 1.00 0.00 N ATOM 264 CA CYS A 22 1.589 25.462 -2.378 1.00 0.00 C ATOM 265 C CYS A 22 1.992 25.858 -3.795 1.00 0.00 C ATOM 266 O CYS A 22 1.797 26.996 -4.206 1.00 0.00 O ATOM 267 CB CYS A 22 2.680 25.883 -1.398 1.00 0.00 C ATOM 268 SG CYS A 22 2.195 25.851 0.341 1.00 0.00 S ATOM 0 H CYS A 22 1.920 23.524 -1.625 1.00 0.00 H new ATOM 0 HA CYS A 22 0.664 25.981 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.541 25.228 -1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.005 26.892 -1.651 1.00 0.00 H new ATOM 273 N ALA A 23 2.521 24.906 -4.547 1.00 0.00 N ATOM 274 CA ALA A 23 2.990 25.180 -5.895 1.00 0.00 C ATOM 275 C ALA A 23 1.845 25.249 -6.906 1.00 0.00 C ATOM 276 O ALA A 23 2.030 25.717 -8.027 1.00 0.00 O ATOM 277 CB ALA A 23 4.016 24.142 -6.318 1.00 0.00 C ATOM 0 H ALA A 23 2.636 23.938 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 23 3.461 26.163 -5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.358 24.360 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.864 24.169 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.562 23.151 -6.294 1.00 0.00 H new ATOM 283 N THR A 24 0.669 24.787 -6.520 1.00 0.00 N ATOM 284 CA THR A 24 -0.468 24.816 -7.425 1.00 0.00 C ATOM 285 C THR A 24 -1.675 25.527 -6.798 1.00 0.00 C ATOM 286 O THR A 24 -2.554 26.016 -7.507 1.00 0.00 O ATOM 287 CB THR A 24 -0.863 23.385 -7.893 1.00 0.00 C ATOM 288 OG1 THR A 24 -1.987 23.439 -8.784 1.00 0.00 O ATOM 289 CG2 THR A 24 -1.191 22.485 -6.706 1.00 0.00 C ATOM 0 H THR A 24 0.476 24.392 -5.599 1.00 0.00 H new ATOM 0 HA THR A 24 -0.159 25.387 -8.301 1.00 0.00 H new ATOM 0 HB THR A 24 -0.007 22.963 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.222 22.532 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.463 21.493 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.320 22.409 -6.055 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.025 22.909 -6.147 1.00 0.00 H new ATOM 297 N SER A 25 -1.702 25.597 -5.479 1.00 0.00 N ATOM 298 CA SER A 25 -2.800 26.227 -4.774 1.00 0.00 C ATOM 299 C SER A 25 -2.397 27.611 -4.252 1.00 0.00 C ATOM 300 O SER A 25 -3.220 28.531 -4.203 1.00 0.00 O ATOM 301 CB SER A 25 -3.267 25.329 -3.613 1.00 0.00 C ATOM 302 OG SER A 25 -4.436 25.839 -2.991 1.00 0.00 O ATOM 0 H SER A 25 -0.971 25.223 -4.873 1.00 0.00 H new ATOM 0 HA SER A 25 -3.626 26.359 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.463 24.324 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.469 25.245 -2.875 1.00 0.00 H new ATOM 0 HG SER A 25 -4.704 25.243 -2.260 1.00 0.00 H new ATOM 308 N GLY A 26 -1.133 27.765 -3.888 1.00 0.00 N ATOM 309 CA GLY A 26 -0.678 29.022 -3.353 1.00 0.00 C ATOM 310 C GLY A 26 0.084 28.840 -2.064 1.00 0.00 C ATOM 311 O GLY A 26 -0.190 27.914 -1.297 1.00 0.00 O ATOM 0 H GLY A 26 -0.418 27.040 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.041 29.519 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.534 29.674 -3.180 1.00 0.00 H new ATOM 315 N CYS A 27 1.041 29.704 -1.830 1.00 0.00 N ATOM 316 CA CYS A 27 1.861 29.627 -0.640 1.00 0.00 C ATOM 317 C CYS A 27 1.503 30.712 0.369 1.00 0.00 C ATOM 318 O CYS A 27 1.075 31.814 -0.001 1.00 0.00 O ATOM 319 CB CYS A 27 3.332 29.743 -1.009 1.00 0.00 C ATOM 320 SG CYS A 27 4.439 29.793 0.419 1.00 0.00 S ATOM 0 H CYS A 27 1.275 30.477 -2.453 1.00 0.00 H new ATOM 0 HA CYS A 27 1.670 28.659 -0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.606 28.898 -1.641 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.478 30.645 -1.602 1.00 0.00 H new ATOM 325 N ASN A 28 1.679 30.395 1.642 1.00 0.00 N ATOM 326 CA ASN A 28 1.450 31.343 2.723 1.00 0.00 C ATOM 327 C ASN A 28 2.419 31.041 3.877 1.00 0.00 C ATOM 328 O ASN A 28 2.198 31.425 5.024 1.00 0.00 O ATOM 329 CB ASN A 28 -0.024 31.281 3.183 1.00 0.00 C ATOM 330 CG ASN A 28 -0.406 32.370 4.186 1.00 0.00 C ATOM 331 OD1 ASN A 28 -0.667 33.511 3.809 1.00 0.00 O ATOM 332 ND2 ASN A 28 -0.478 32.013 5.457 1.00 0.00 N ATOM 0 H ASN A 28 1.985 29.474 1.956 1.00 0.00 H new ATOM 0 HA ASN A 28 1.640 32.358 2.373 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.671 31.362 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.214 30.306 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.758 32.694 6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.254 31.057 5.732 1.00 0.00 H new ATOM 339 N CYS A 29 3.513 30.368 3.552 1.00 0.00 N ATOM 340 CA CYS A 29 4.507 30.016 4.543 1.00 0.00 C ATOM 341 C CYS A 29 5.467 31.169 4.790 1.00 0.00 C ATOM 342 O CYS A 29 5.418 32.195 4.105 1.00 0.00 O ATOM 343 CB CYS A 29 5.264 28.768 4.115 1.00 0.00 C ATOM 344 SG CYS A 29 4.225 27.303 3.998 1.00 0.00 S ATOM 0 H CYS A 29 3.731 30.056 2.606 1.00 0.00 H new ATOM 0 HA CYS A 29 3.992 29.805 5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.732 28.950 3.147 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.067 28.578 4.827 1.00 0.00 H new ATOM 349 N THR A 30 6.339 30.995 5.758 1.00 0.00 N ATOM 350 CA THR A 30 7.270 32.031 6.151 1.00 0.00 C ATOM 351 C THR A 30 8.618 31.862 5.452 1.00 0.00 C ATOM 352 O THR A 30 8.801 30.958 4.621 1.00 0.00 O ATOM 353 CB THR A 30 7.497 31.973 7.665 1.00 0.00 C ATOM 354 OG1 THR A 30 8.069 30.704 8.006 1.00 0.00 O ATOM 355 CG2 THR A 30 6.185 32.139 8.410 1.00 0.00 C ATOM 0 H THR A 30 6.423 30.132 6.295 1.00 0.00 H new ATOM 0 HA THR A 30 6.840 32.990 5.863 1.00 0.00 H new ATOM 0 HB THR A 30 8.169 32.782 7.949 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.071 30.597 8.980 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.368 32.095 9.484 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.742 33.102 8.157 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.501 31.339 8.125 1.00 0.00 H new ATOM 363 N ASP A 31 9.559 32.732 5.797 1.00 0.00 N ATOM 364 CA ASP A 31 10.922 32.651 5.282 1.00 0.00 C ATOM 365 C ASP A 31 11.650 31.494 5.959 1.00 0.00 C ATOM 366 O ASP A 31 12.625 30.951 5.431 1.00 0.00 O ATOM 367 CB ASP A 31 11.665 33.972 5.536 1.00 0.00 C ATOM 368 CG ASP A 31 13.129 33.921 5.137 1.00 0.00 C ATOM 369 OD1 ASP A 31 13.437 34.101 3.937 1.00 0.00 O ATOM 370 OD2 ASP A 31 13.982 33.714 6.020 1.00 0.00 O ATOM 0 H ASP A 31 9.401 33.510 6.438 1.00 0.00 H new ATOM 0 HA ASP A 31 10.892 32.476 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.172 34.771 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.592 34.225 6.594 1.00 0.00 H new ATOM 375 N ASP A 32 11.137 31.103 7.125 1.00 0.00 N ATOM 376 CA ASP A 32 11.693 30.000 7.899 1.00 0.00 C ATOM 377 C ASP A 32 11.425 28.691 7.192 1.00 0.00 C ATOM 378 O ASP A 32 12.084 27.690 7.445 1.00 0.00 O ATOM 379 CB ASP A 32 11.071 29.961 9.295 1.00 0.00 C ATOM 380 CG ASP A 32 11.163 31.287 10.006 1.00 0.00 C ATOM 381 OD1 ASP A 32 12.114 31.491 10.787 1.00 0.00 O ATOM 382 OD2 ASP A 32 10.285 32.139 9.787 1.00 0.00 O ATOM 0 H ASP A 32 10.325 31.543 7.557 1.00 0.00 H new ATOM 0 HA ASP A 32 12.768 30.150 7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.024 29.667 9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.571 29.198 9.891 1.00 0.00 H new ATOM 387 N CYS A 33 10.427 28.704 6.316 1.00 0.00 N ATOM 388 CA CYS A 33 10.093 27.543 5.520 1.00 0.00 C ATOM 389 C CYS A 33 11.233 27.226 4.570 1.00 0.00 C ATOM 390 O CYS A 33 11.449 27.937 3.576 1.00 0.00 O ATOM 391 CB CYS A 33 8.805 27.781 4.732 1.00 0.00 C ATOM 392 SG CYS A 33 8.474 26.528 3.479 1.00 0.00 S ATOM 0 H CYS A 33 9.834 29.516 6.143 1.00 0.00 H new ATOM 0 HA CYS A 33 9.935 26.696 6.188 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.966 27.816 5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.860 28.757 4.250 1.00 0.00 H new ATOM 397 N LYS A 34 11.969 26.181 4.884 1.00 0.00 N ATOM 398 CA LYS A 34 13.102 25.770 4.084 1.00 0.00 C ATOM 399 C LYS A 34 12.714 24.643 3.131 1.00 0.00 C ATOM 400 O LYS A 34 13.560 23.846 2.717 1.00 0.00 O ATOM 401 CB LYS A 34 14.250 25.329 5.000 1.00 0.00 C ATOM 402 CG LYS A 34 14.653 26.388 6.024 1.00 0.00 C ATOM 403 CD LYS A 34 15.981 26.065 6.702 1.00 0.00 C ATOM 404 CE LYS A 34 17.142 26.233 5.744 1.00 0.00 C ATOM 405 NZ LYS A 34 18.449 26.073 6.425 1.00 0.00 N ATOM 0 H LYS A 34 11.799 25.593 5.700 1.00 0.00 H new ATOM 0 HA LYS A 34 13.432 26.618 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.957 24.420 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.117 25.078 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.726 27.357 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.873 26.473 6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.120 26.718 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.961 25.042 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.059 25.500 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.092 27.219 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.217 26.195 5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.540 26.788 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.508 25.123 6.844 1.00 0.00 H new ATOM 419 N CYS A 35 11.436 24.587 2.775 1.00 0.00 N ATOM 420 CA CYS A 35 10.947 23.573 1.863 1.00 0.00 C ATOM 421 C CYS A 35 11.424 23.865 0.450 1.00 0.00 C ATOM 422 O CYS A 35 11.318 24.998 -0.030 1.00 0.00 O ATOM 423 CB CYS A 35 9.414 23.495 1.904 1.00 0.00 C ATOM 424 SG CYS A 35 8.708 22.181 0.873 1.00 0.00 S ATOM 0 H CYS A 35 10.722 25.235 3.108 1.00 0.00 H new ATOM 0 HA CYS A 35 11.345 22.608 2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.097 23.342 2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.004 24.453 1.583 1.00 0.00 H new ATOM 429 N GLN A 36 11.956 22.853 -0.218 1.00 0.00 N ATOM 430 CA GLN A 36 12.448 23.025 -1.575 1.00 0.00 C ATOM 431 C GLN A 36 11.320 22.887 -2.585 1.00 0.00 C ATOM 432 O GLN A 36 11.527 23.051 -3.774 1.00 0.00 O ATOM 433 CB GLN A 36 13.563 22.021 -1.903 1.00 0.00 C ATOM 434 CG GLN A 36 13.137 20.562 -1.863 1.00 0.00 C ATOM 435 CD GLN A 36 14.188 19.636 -2.454 1.00 0.00 C ATOM 436 OE1 GLN A 36 14.159 19.319 -3.636 1.00 0.00 O ATOM 437 NE2 GLN A 36 15.123 19.220 -1.634 1.00 0.00 N ATOM 0 H GLN A 36 12.058 21.909 0.155 1.00 0.00 H new ATOM 0 HA GLN A 36 12.861 24.031 -1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.953 22.244 -2.896 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.382 22.166 -1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 36 12.940 20.272 -0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 36 12.202 20.444 -2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.109 19.509 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.864 18.608 -1.974 1.00 0.00 H new ATOM 446 N SER A 37 10.122 22.602 -2.096 1.00 0.00 N ATOM 447 CA SER A 37 8.989 22.373 -2.964 1.00 0.00 C ATOM 448 C SER A 37 8.195 23.653 -3.241 1.00 0.00 C ATOM 449 O SER A 37 7.974 24.003 -4.397 1.00 0.00 O ATOM 450 CB SER A 37 8.095 21.290 -2.381 1.00 0.00 C ATOM 451 OG SER A 37 8.837 20.099 -2.160 1.00 0.00 O ATOM 0 H SER A 37 9.915 22.525 -1.100 1.00 0.00 H new ATOM 0 HA SER A 37 9.375 22.035 -3.926 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.661 21.635 -1.442 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.267 21.089 -3.060 1.00 0.00 H new ATOM 0 HG SER A 37 8.248 19.412 -1.783 1.00 0.00 H new ATOM 457 N CYS A 38 7.771 24.366 -2.197 1.00 0.00 N ATOM 458 CA CYS A 38 6.995 25.574 -2.418 1.00 0.00 C ATOM 459 C CYS A 38 7.908 26.762 -2.669 1.00 0.00 C ATOM 460 O CYS A 38 7.461 27.839 -3.058 1.00 0.00 O ATOM 461 CB CYS A 38 6.005 25.836 -1.273 1.00 0.00 C ATOM 462 SG CYS A 38 6.734 26.058 0.358 1.00 0.00 S ATOM 0 H CYS A 38 7.948 24.133 -1.220 1.00 0.00 H new ATOM 0 HA CYS A 38 6.394 25.426 -3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.426 26.727 -1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.304 25.003 -1.226 1.00 0.00 H new ATOM 467 N LYS A 39 9.193 26.550 -2.449 1.00 0.00 N ATOM 468 CA LYS A 39 10.207 27.550 -2.730 1.00 0.00 C ATOM 469 C LYS A 39 11.140 27.033 -3.832 1.00 0.00 C ATOM 470 O LYS A 39 12.358 27.206 -3.772 1.00 0.00 O ATOM 471 CB LYS A 39 11.015 27.896 -1.462 1.00 0.00 C ATOM 472 CG LYS A 39 10.390 28.975 -0.561 1.00 0.00 C ATOM 473 CD LYS A 39 9.128 28.497 0.145 1.00 0.00 C ATOM 474 CE LYS A 39 8.624 29.518 1.146 1.00 0.00 C ATOM 475 NZ LYS A 39 9.622 29.774 2.209 1.00 0.00 N ATOM 0 H LYS A 39 9.563 25.678 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 39 9.714 28.462 -3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.147 26.987 -0.875 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.009 28.228 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.121 29.288 0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.154 29.852 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.351 28.297 -0.593 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.331 27.556 0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.392 30.450 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.696 29.162 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.162 30.253 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.025 28.871 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.381 30.378 1.834 1.00 0.00 H new ATOM 489 N TYR A 40 10.548 26.390 -4.836 1.00 0.00 N ATOM 490 CA TYR A 40 11.305 25.830 -5.955 1.00 0.00 C ATOM 491 C TYR A 40 11.882 26.926 -6.847 1.00 0.00 C ATOM 492 O TYR A 40 11.352 28.036 -6.905 1.00 0.00 O ATOM 493 CB TYR A 40 10.425 24.896 -6.791 1.00 0.00 C ATOM 494 CG TYR A 40 10.907 23.464 -6.803 1.00 0.00 C ATOM 495 CD1 TYR A 40 10.076 22.423 -6.408 1.00 0.00 C ATOM 496 CD2 TYR A 40 12.201 23.156 -7.197 1.00 0.00 C ATOM 497 CE1 TYR A 40 10.524 21.117 -6.407 1.00 0.00 C ATOM 498 CE2 TYR A 40 12.653 21.856 -7.201 1.00 0.00 C ATOM 499 CZ TYR A 40 11.814 20.841 -6.804 1.00 0.00 C ATOM 500 OH TYR A 40 12.268 19.545 -6.808 1.00 0.00 O ATOM 0 H TYR A 40 9.541 26.243 -4.898 1.00 0.00 H new ATOM 0 HA TYR A 40 12.133 25.261 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.407 24.925 -6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.386 25.267 -7.815 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.064 22.639 -6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 40 12.865 23.950 -7.506 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.868 20.317 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.662 21.634 -7.515 1.00 0.00 H new ATOM 0 HH TYR A 40 13.216 19.531 -7.054 1.00 0.00 H new ATOM 510 N GLY A 41 12.971 26.610 -7.534 1.00 0.00 N ATOM 511 CA GLY A 41 13.594 27.568 -8.419 1.00 0.00 C ATOM 512 C GLY A 41 14.912 27.063 -8.962 1.00 0.00 C ATOM 513 O GLY A 41 15.205 27.217 -10.141 1.00 0.00 O ATOM 0 H GLY A 41 13.434 25.702 -7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.921 27.788 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 41 13.757 28.504 -7.884 1.00 0.00 H new ATOM 517 N ALA A 42 15.690 26.420 -8.102 1.00 0.00 N ATOM 518 CA ALA A 42 17.004 25.906 -8.482 1.00 0.00 C ATOM 519 C ALA A 42 16.919 24.443 -8.910 1.00 0.00 C ATOM 520 O ALA A 42 17.928 23.740 -8.982 1.00 0.00 O ATOM 521 CB ALA A 42 17.979 26.062 -7.324 1.00 0.00 C ATOM 0 H ALA A 42 15.434 26.240 -7.131 1.00 0.00 H new ATOM 0 HA ALA A 42 17.365 26.485 -9.332 1.00 0.00 H new ATOM 0 HB1 ALA A 42 18.956 25.676 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 42 18.069 27.117 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 42 17.612 25.505 -6.462 1.00 0.00 H new ATOM 527 N GLY A 43 15.724 23.993 -9.222 1.00 0.00 N ATOM 528 CA GLY A 43 15.552 22.618 -9.610 1.00 0.00 C ATOM 529 C GLY A 43 14.509 22.398 -10.671 1.00 0.00 C ATOM 530 O GLY A 43 14.587 21.435 -11.413 1.00 0.00 O ATOM 0 H GLY A 43 14.871 24.552 -9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.506 22.233 -9.970 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.285 22.035 -8.729 1.00 0.00 H new ATOM 534 N CYS A 44 13.586 23.317 -10.792 1.00 0.00 N ATOM 535 CA CYS A 44 12.452 23.136 -11.696 1.00 0.00 C ATOM 536 C CYS A 44 12.360 24.220 -12.744 1.00 0.00 C ATOM 537 O CYS A 44 13.173 25.149 -12.787 1.00 0.00 O ATOM 538 CB CYS A 44 11.135 23.088 -10.914 1.00 0.00 C ATOM 539 SG CYS A 44 10.812 21.532 -10.077 1.00 0.00 S ATOM 0 H CYS A 44 13.587 24.200 -10.282 1.00 0.00 H new ATOM 0 HA CYS A 44 12.621 22.187 -12.205 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.139 23.888 -10.174 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.313 23.292 -11.601 1.00 0.00 H new ATOM 544 N THR A 45 11.360 24.079 -13.585 1.00 0.00 N ATOM 545 CA THR A 45 11.057 25.024 -14.618 1.00 0.00 C ATOM 546 C THR A 45 9.538 25.111 -14.761 1.00 0.00 C ATOM 547 O THR A 45 8.806 24.331 -14.142 1.00 0.00 O ATOM 548 CB THR A 45 11.696 24.606 -15.968 1.00 0.00 C ATOM 549 OG1 THR A 45 11.511 25.637 -16.949 1.00 0.00 O ATOM 550 CG2 THR A 45 11.092 23.302 -16.478 1.00 0.00 C ATOM 0 H THR A 45 10.724 23.282 -13.563 1.00 0.00 H new ATOM 0 HA THR A 45 11.470 25.996 -14.347 1.00 0.00 H new ATOM 0 HB THR A 45 12.762 24.455 -15.800 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.005 25.279 -17.708 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.558 23.032 -17.426 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.267 22.511 -15.749 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.020 23.430 -16.624 1.00 0.00 H new ATOM 558 N ASP A 46 9.068 26.028 -15.575 1.00 0.00 N ATOM 559 CA ASP A 46 7.630 26.217 -15.759 1.00 0.00 C ATOM 560 C ASP A 46 7.026 25.112 -16.614 1.00 0.00 C ATOM 561 O ASP A 46 5.814 24.917 -16.630 1.00 0.00 O ATOM 562 CB ASP A 46 7.325 27.596 -16.349 1.00 0.00 C ATOM 563 CG ASP A 46 7.413 28.697 -15.308 1.00 0.00 C ATOM 564 OD1 ASP A 46 8.544 29.112 -14.967 1.00 0.00 O ATOM 565 OD2 ASP A 46 6.353 29.142 -14.817 1.00 0.00 O ATOM 0 H ASP A 46 9.652 26.659 -16.124 1.00 0.00 H new ATOM 0 HA ASP A 46 7.165 26.162 -14.774 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.025 27.806 -17.158 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.326 27.590 -16.785 1.00 0.00 H new ATOM 570 N THR A 47 7.879 24.380 -17.303 1.00 0.00 N ATOM 571 CA THR A 47 7.446 23.275 -18.141 1.00 0.00 C ATOM 572 C THR A 47 7.098 22.044 -17.280 1.00 0.00 C ATOM 573 O THR A 47 6.293 21.210 -17.667 1.00 0.00 O ATOM 574 CB THR A 47 8.559 22.899 -19.140 1.00 0.00 C ATOM 575 OG1 THR A 47 9.220 24.092 -19.586 1.00 0.00 O ATOM 576 CG2 THR A 47 7.983 22.173 -20.345 1.00 0.00 C ATOM 0 H THR A 47 8.888 24.532 -17.299 1.00 0.00 H new ATOM 0 HA THR A 47 6.557 23.590 -18.687 1.00 0.00 H new ATOM 0 HB THR A 47 9.266 22.239 -18.637 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.929 23.856 -20.220 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.787 21.918 -21.035 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.485 21.261 -20.016 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.263 22.818 -20.849 1.00 0.00 H new ATOM 584 N CYS A 48 7.695 21.973 -16.106 1.00 0.00 N ATOM 585 CA CYS A 48 7.507 20.837 -15.194 1.00 0.00 C ATOM 586 C CYS A 48 6.186 20.966 -14.428 1.00 0.00 C ATOM 587 O CYS A 48 5.430 20.009 -14.281 1.00 0.00 O ATOM 588 CB CYS A 48 8.701 20.776 -14.210 1.00 0.00 C ATOM 589 SG CYS A 48 8.613 19.482 -12.944 1.00 0.00 S ATOM 0 H CYS A 48 8.324 22.693 -15.749 1.00 0.00 H new ATOM 0 HA CYS A 48 7.465 19.915 -15.774 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.615 20.633 -14.786 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.786 21.741 -13.711 1.00 0.00 H new ATOM 594 N LYS A 49 5.892 22.176 -14.010 1.00 0.00 N ATOM 595 CA LYS A 49 4.734 22.461 -13.168 1.00 0.00 C ATOM 596 C LYS A 49 3.437 22.638 -13.968 1.00 0.00 C ATOM 597 O LYS A 49 2.420 23.063 -13.412 1.00 0.00 O ATOM 598 CB LYS A 49 5.018 23.720 -12.375 1.00 0.00 C ATOM 599 CG LYS A 49 5.305 24.921 -13.262 1.00 0.00 C ATOM 600 CD LYS A 49 5.909 26.058 -12.480 1.00 0.00 C ATOM 601 CE LYS A 49 4.964 26.545 -11.382 1.00 0.00 C ATOM 602 NZ LYS A 49 5.561 27.631 -10.561 1.00 0.00 N ATOM 0 H LYS A 49 6.447 23.000 -14.241 1.00 0.00 H new ATOM 0 HA LYS A 49 4.580 21.604 -12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.164 23.942 -11.736 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.871 23.546 -11.719 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.984 24.628 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.381 25.254 -13.734 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.850 25.736 -12.035 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.141 26.882 -13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.039 26.902 -11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.700 25.708 -10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.882 27.927 -9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.430 27.285 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.789 28.442 -11.171 1.00 0.00 H new ATOM 616 N GLN A 50 3.461 22.307 -15.252 1.00 0.00 N ATOM 617 CA GLN A 50 2.279 22.477 -16.106 1.00 0.00 C ATOM 618 C GLN A 50 1.096 21.669 -15.597 1.00 0.00 C ATOM 619 O GLN A 50 -0.056 22.074 -15.765 1.00 0.00 O ATOM 620 CB GLN A 50 2.579 22.085 -17.537 1.00 0.00 C ATOM 621 CG GLN A 50 3.715 22.866 -18.150 1.00 0.00 C ATOM 622 CD GLN A 50 3.642 22.931 -19.656 1.00 0.00 C ATOM 623 OE1 GLN A 50 3.079 22.052 -20.310 1.00 0.00 O ATOM 624 NE2 GLN A 50 4.247 23.945 -20.213 1.00 0.00 N ATOM 0 H GLN A 50 4.276 21.922 -15.728 1.00 0.00 H new ATOM 0 HA GLN A 50 2.016 23.534 -16.072 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.819 21.022 -17.571 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.683 22.229 -18.140 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.711 23.879 -17.748 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.661 22.411 -17.857 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.701 24.650 -19.632 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.266 24.032 -21.229 1.00 0.00 H new ATOM 633 N THR A 51 1.395 20.531 -14.981 1.00 0.00 N ATOM 634 CA THR A 51 0.375 19.641 -14.429 1.00 0.00 C ATOM 635 C THR A 51 -0.400 18.925 -15.558 1.00 0.00 C ATOM 636 O THR A 51 -1.197 19.542 -16.266 1.00 0.00 O ATOM 637 CB THR A 51 -0.596 20.398 -13.497 1.00 0.00 C ATOM 638 OG1 THR A 51 0.156 21.136 -12.521 1.00 0.00 O ATOM 639 CG2 THR A 51 -1.519 19.429 -12.783 1.00 0.00 C ATOM 0 H THR A 51 2.350 20.198 -14.849 1.00 0.00 H new ATOM 0 HA THR A 51 0.888 18.888 -13.831 1.00 0.00 H new ATOM 0 HB THR A 51 -1.197 21.078 -14.101 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.649 21.858 -12.965 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.195 19.983 -12.132 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.099 18.871 -13.518 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.927 18.735 -12.186 1.00 0.00 H new ATOM 647 N PRO A 52 -0.168 17.603 -15.738 1.00 0.00 N ATOM 648 CA PRO A 52 0.740 16.817 -14.886 1.00 0.00 C ATOM 649 C PRO A 52 2.173 17.288 -15.034 1.00 0.00 C ATOM 650 O PRO A 52 2.847 17.576 -14.049 1.00 0.00 O ATOM 651 CB PRO A 52 0.588 15.378 -15.413 1.00 0.00 C ATOM 652 CG PRO A 52 -0.648 15.398 -16.250 1.00 0.00 C ATOM 653 CD PRO A 52 -0.743 16.783 -16.810 1.00 0.00 C ATOM 0 HA PRO A 52 0.501 16.910 -13.827 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.457 15.079 -16.000 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.497 14.666 -14.593 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.591 14.657 -17.048 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.528 15.157 -15.653 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.184 16.883 -17.741 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.774 17.063 -17.026 1.00 0.00 H new ATOM 661 N CYS A 53 2.613 17.380 -16.271 1.00 0.00 N ATOM 662 CA CYS A 53 3.924 17.867 -16.587 1.00 0.00 C ATOM 663 C CYS A 53 4.010 18.132 -18.078 1.00 0.00 C ATOM 664 O CYS A 53 3.356 17.449 -18.869 1.00 0.00 O ATOM 665 CB CYS A 53 4.971 16.852 -16.172 1.00 0.00 C ATOM 666 SG CYS A 53 6.644 17.495 -16.172 1.00 0.00 S ATOM 0 H CYS A 53 2.061 17.115 -17.087 1.00 0.00 H new ATOM 0 HA CYS A 53 4.110 18.794 -16.044 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.733 16.486 -15.173 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.921 15.996 -16.845 1.00 0.00 H new ATOM 671 N GLY A 54 4.771 19.139 -18.465 1.00 0.00 N ATOM 672 CA GLY A 54 4.918 19.446 -19.864 1.00 0.00 C ATOM 673 C GLY A 54 6.311 19.163 -20.373 1.00 0.00 C ATOM 674 O GLY A 54 6.581 19.317 -21.564 1.00 0.00 O ATOM 0 H GLY A 54 5.290 19.749 -17.833 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.199 18.862 -20.439 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.680 20.497 -20.029 1.00 0.00 H new ATOM 678 N CYS A 55 7.206 18.769 -19.475 1.00 0.00 N ATOM 679 CA CYS A 55 8.561 18.455 -19.851 1.00 0.00 C ATOM 680 C CYS A 55 8.610 17.146 -20.628 1.00 0.00 C ATOM 681 O CYS A 55 8.813 17.145 -21.839 1.00 0.00 O ATOM 682 CB CYS A 55 9.446 18.361 -18.612 1.00 0.00 C ATOM 683 SG CYS A 55 9.717 19.921 -17.748 1.00 0.00 S ATOM 0 H CYS A 55 7.008 18.662 -18.480 1.00 0.00 H new ATOM 0 HA CYS A 55 8.934 19.254 -20.491 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.998 17.651 -17.917 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.413 17.953 -18.905 1.00 0.00 H new ATOM 688 N GLY A 56 8.397 16.038 -19.928 1.00 0.00 N ATOM 689 CA GLY A 56 8.454 14.734 -20.558 1.00 0.00 C ATOM 690 C GLY A 56 9.841 14.424 -21.074 1.00 0.00 C ATOM 691 O GLY A 56 10.745 14.103 -20.297 1.00 0.00 O ATOM 0 H GLY A 56 8.185 16.021 -18.930 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.153 13.970 -19.841 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.742 14.696 -21.382 1.00 0.00 H new ATOM 695 N SER A 57 10.016 14.529 -22.376 1.00 0.00 N ATOM 696 CA SER A 57 11.308 14.309 -22.984 1.00 0.00 C ATOM 697 C SER A 57 11.898 15.647 -23.418 1.00 0.00 C ATOM 698 O SER A 57 13.032 15.727 -23.889 1.00 0.00 O ATOM 699 CB SER A 57 11.188 13.351 -24.173 1.00 0.00 C ATOM 700 OG SER A 57 12.461 12.875 -24.579 1.00 0.00 O ATOM 0 H SER A 57 9.274 14.767 -23.034 1.00 0.00 H new ATOM 0 HA SER A 57 11.975 13.849 -22.255 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.551 12.509 -23.902 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.705 13.861 -25.007 1.00 0.00 H new ATOM 0 HG SER A 57 13.117 13.600 -24.514 1.00 0.00 H new ATOM 706 N GLY A 58 11.115 16.694 -23.242 1.00 0.00 N ATOM 707 CA GLY A 58 11.548 18.029 -23.566 1.00 0.00 C ATOM 708 C GLY A 58 11.647 18.858 -22.319 1.00 0.00 C ATOM 709 O GLY A 58 10.963 19.870 -22.169 1.00 0.00 O ATOM 0 H GLY A 58 10.166 16.638 -22.872 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.516 17.994 -24.066 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.846 18.488 -24.262 1.00 0.00 H new ATOM 713 N CYS A 59 12.489 18.414 -21.420 1.00 0.00 N ATOM 714 CA CYS A 59 12.657 19.042 -20.129 1.00 0.00 C ATOM 715 C CYS A 59 13.481 20.329 -20.219 1.00 0.00 C ATOM 716 O CYS A 59 14.237 20.533 -21.169 1.00 0.00 O ATOM 717 CB CYS A 59 13.286 18.035 -19.173 1.00 0.00 C ATOM 718 SG CYS A 59 13.889 18.723 -17.630 1.00 0.00 S ATOM 0 H CYS A 59 13.084 17.598 -21.563 1.00 0.00 H new ATOM 0 HA CYS A 59 11.680 19.340 -19.749 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.549 17.264 -18.946 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.115 17.543 -19.682 1.00 0.00 H new ATOM 723 N ASN A 60 13.318 21.197 -19.227 1.00 0.00 N ATOM 724 CA ASN A 60 14.002 22.485 -19.204 1.00 0.00 C ATOM 725 C ASN A 60 14.295 22.902 -17.749 1.00 0.00 C ATOM 726 O ASN A 60 14.471 24.077 -17.443 1.00 0.00 O ATOM 727 CB ASN A 60 13.114 23.530 -19.924 1.00 0.00 C ATOM 728 CG ASN A 60 13.793 24.871 -20.164 1.00 0.00 C ATOM 729 OD1 ASN A 60 14.548 25.036 -21.128 1.00 0.00 O ATOM 730 ND2 ASN A 60 13.495 25.846 -19.323 1.00 0.00 N ATOM 0 H ASN A 60 12.714 21.030 -18.422 1.00 0.00 H new ATOM 0 HA ASN A 60 14.958 22.415 -19.723 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.796 23.120 -20.883 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.213 23.693 -19.333 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.893 26.775 -19.458 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.867 25.669 -18.539 1.00 0.00 H new ATOM 737 N CYS A 61 14.366 21.919 -16.859 1.00 0.00 N ATOM 738 CA CYS A 61 14.597 22.181 -15.437 1.00 0.00 C ATOM 739 C CYS A 61 16.032 22.589 -15.130 1.00 0.00 C ATOM 740 O CYS A 61 16.866 22.741 -16.031 1.00 0.00 O ATOM 741 CB CYS A 61 14.204 20.980 -14.597 1.00 0.00 C ATOM 742 SG CYS A 61 12.450 20.894 -14.257 1.00 0.00 S ATOM 0 H CYS A 61 14.267 20.931 -17.094 1.00 0.00 H new ATOM 0 HA CYS A 61 13.963 23.029 -15.176 1.00 0.00 H new ATOM 0 HB2 CYS A 61 14.512 20.070 -15.112 1.00 0.00 H new ATOM 0 HB3 CYS A 61 14.748 21.012 -13.653 1.00 0.00 H new ATOM 747 N LYS A 62 16.308 22.759 -13.842 1.00 0.00 N ATOM 748 CA LYS A 62 17.609 23.198 -13.382 1.00 0.00 C ATOM 749 C LYS A 62 18.506 22.007 -12.987 1.00 0.00 C ATOM 750 O LYS A 62 19.195 21.441 -13.831 1.00 0.00 O ATOM 751 CB LYS A 62 17.448 24.176 -12.203 1.00 0.00 C ATOM 752 CG LYS A 62 16.608 25.439 -12.490 1.00 0.00 C ATOM 753 CD LYS A 62 17.377 26.522 -13.272 1.00 0.00 C ATOM 754 CE LYS A 62 17.422 26.230 -14.755 1.00 0.00 C ATOM 755 NZ LYS A 62 18.084 27.313 -15.515 1.00 0.00 N ATOM 0 H LYS A 62 15.635 22.595 -13.094 1.00 0.00 H new ATOM 0 HA LYS A 62 18.102 23.714 -14.206 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.992 23.640 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 62 18.440 24.488 -11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.720 25.155 -13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 62 16.263 25.859 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.905 27.491 -13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.394 26.594 -12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.952 25.293 -14.924 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.407 26.094 -15.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.093 27.072 -16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.564 28.203 -15.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.061 27.427 -15.178 1.00 0.00 H new ATOM 769 N GLU A 63 18.470 21.619 -11.712 1.00 0.00 N ATOM 770 CA GLU A 63 19.329 20.535 -11.214 1.00 0.00 C ATOM 771 C GLU A 63 18.637 19.741 -10.099 1.00 0.00 C ATOM 772 O GLU A 63 18.712 18.514 -10.059 1.00 0.00 O ATOM 773 CB GLU A 63 20.655 21.131 -10.685 1.00 0.00 C ATOM 774 CG GLU A 63 21.674 20.109 -10.171 1.00 0.00 C ATOM 775 CD GLU A 63 22.679 19.677 -11.228 1.00 0.00 C ATOM 776 OE1 GLU A 63 22.464 18.616 -11.863 1.00 0.00 O ATOM 777 OE2 GLU A 63 23.680 20.390 -11.426 1.00 0.00 O ATOM 0 H GLU A 63 17.861 22.033 -11.006 1.00 0.00 H new ATOM 0 HA GLU A 63 19.531 19.852 -12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 63 21.118 21.710 -11.484 1.00 0.00 H new ATOM 0 HB3 GLU A 63 20.425 21.827 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 63 22.210 20.536 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 63 21.143 19.231 -9.804 1.00 0.00 H new ATOM 784 N ASP A 64 17.956 20.446 -9.215 1.00 0.00 N ATOM 785 CA ASP A 64 17.322 19.822 -8.043 1.00 0.00 C ATOM 786 C ASP A 64 15.860 19.463 -8.308 1.00 0.00 C ATOM 787 O ASP A 64 14.987 19.794 -7.511 1.00 0.00 O ATOM 788 CB ASP A 64 17.388 20.788 -6.861 1.00 0.00 C ATOM 789 CG ASP A 64 17.410 20.082 -5.513 1.00 0.00 C ATOM 790 OD1 ASP A 64 17.343 18.834 -5.477 1.00 0.00 O ATOM 791 OD2 ASP A 64 17.520 20.779 -4.481 1.00 0.00 O ATOM 0 H ASP A 64 17.821 21.455 -9.277 1.00 0.00 H new ATOM 0 HA ASP A 64 17.863 18.901 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.280 21.407 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.530 21.459 -6.899 1.00 0.00 H new ATOM 796 N CYS A 65 15.589 18.797 -9.414 1.00 0.00 N ATOM 797 CA CYS A 65 14.208 18.414 -9.712 1.00 0.00 C ATOM 798 C CYS A 65 13.836 17.110 -9.029 1.00 0.00 C ATOM 799 O CYS A 65 14.556 16.115 -9.133 1.00 0.00 O ATOM 800 CB CYS A 65 13.951 18.299 -11.203 1.00 0.00 C ATOM 801 SG CYS A 65 12.261 17.765 -11.586 1.00 0.00 S ATOM 0 H CYS A 65 16.280 18.513 -10.109 1.00 0.00 H new ATOM 0 HA CYS A 65 13.579 19.214 -9.321 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.138 19.264 -11.675 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.658 17.591 -11.635 1.00 0.00 H new ATOM 806 N ARG A 66 12.703 17.127 -8.345 1.00 0.00 N ATOM 807 CA ARG A 66 12.204 15.973 -7.609 1.00 0.00 C ATOM 808 C ARG A 66 11.146 15.200 -8.394 1.00 0.00 C ATOM 809 O ARG A 66 10.503 14.294 -7.853 1.00 0.00 O ATOM 810 CB ARG A 66 11.630 16.433 -6.272 1.00 0.00 C ATOM 811 CG ARG A 66 12.682 16.659 -5.210 1.00 0.00 C ATOM 812 CD ARG A 66 12.964 15.382 -4.468 1.00 0.00 C ATOM 813 NE ARG A 66 14.134 15.493 -3.595 1.00 0.00 N ATOM 814 CZ ARG A 66 14.175 15.087 -2.325 1.00 0.00 C ATOM 815 NH1 ARG A 66 13.075 14.636 -1.725 1.00 0.00 N ATOM 816 NH2 ARG A 66 15.314 15.159 -1.644 1.00 0.00 N ATOM 0 H ARG A 66 12.099 17.947 -8.284 1.00 0.00 H new ATOM 0 HA ARG A 66 13.042 15.295 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.073 17.358 -6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.919 15.688 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.598 17.029 -5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.344 17.425 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.093 15.111 -3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.123 14.576 -5.184 1.00 0.00 H new ATOM 0 HE ARG A 66 14.978 15.911 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.193 14.599 -2.237 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.114 14.327 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.154 15.524 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.348 14.849 -0.673 1.00 0.00 H new ATOM 830 N CYS A 67 10.963 15.546 -9.652 1.00 0.00 N ATOM 831 CA CYS A 67 9.978 14.872 -10.478 1.00 0.00 C ATOM 832 C CYS A 67 10.599 13.677 -11.187 1.00 0.00 C ATOM 833 O CYS A 67 11.762 13.713 -11.579 1.00 0.00 O ATOM 834 CB CYS A 67 9.385 15.834 -11.509 1.00 0.00 C ATOM 835 SG CYS A 67 7.989 15.148 -12.432 1.00 0.00 S ATOM 0 H CYS A 67 11.480 16.287 -10.125 1.00 0.00 H new ATOM 0 HA CYS A 67 9.179 14.520 -9.826 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.061 16.742 -11.000 1.00 0.00 H new ATOM 0 HB3 CYS A 67 10.166 16.124 -12.212 1.00 0.00 H new ATOM 840 N GLN A 68 9.822 12.614 -11.348 1.00 0.00 N ATOM 841 CA GLN A 68 10.300 11.425 -12.037 1.00 0.00 C ATOM 842 C GLN A 68 9.659 11.310 -13.415 1.00 0.00 C ATOM 843 O GLN A 68 9.754 10.281 -14.074 1.00 0.00 O ATOM 844 CB GLN A 68 10.027 10.151 -11.213 1.00 0.00 C ATOM 845 CG GLN A 68 8.557 9.908 -10.869 1.00 0.00 C ATOM 846 CD GLN A 68 8.228 10.175 -9.401 1.00 0.00 C ATOM 847 OE1 GLN A 68 8.940 11.107 -8.792 1.00 0.00 O flip ATOM 848 NE2 GLN A 68 7.339 9.552 -8.831 1.00 0.00 N flip ATOM 0 H GLN A 68 8.861 12.552 -11.012 1.00 0.00 H new ATOM 0 HA GLN A 68 11.379 11.524 -12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.402 9.291 -11.767 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.597 10.207 -10.286 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.934 10.546 -11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.300 8.876 -11.110 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.811 8.840 -9.336 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.127 9.746 -7.852 1.00 0.00 H new ATOM 857 N SER A 69 9.019 12.380 -13.853 1.00 0.00 N ATOM 858 CA SER A 69 8.352 12.379 -15.134 1.00 0.00 C ATOM 859 C SER A 69 9.255 12.963 -16.220 1.00 0.00 C ATOM 860 O SER A 69 9.154 12.590 -17.390 1.00 0.00 O ATOM 861 CB SER A 69 7.035 13.169 -15.048 1.00 0.00 C ATOM 862 OG SER A 69 6.203 12.927 -16.178 1.00 0.00 O ATOM 0 H SER A 69 8.950 13.258 -13.338 1.00 0.00 H new ATOM 0 HA SER A 69 8.126 11.347 -15.401 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.503 12.892 -14.138 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.253 14.235 -14.978 1.00 0.00 H new ATOM 0 HG SER A 69 5.374 13.443 -16.091 1.00 0.00 H new ATOM 868 N CYS A 70 10.144 13.871 -15.836 1.00 0.00 N ATOM 869 CA CYS A 70 11.018 14.509 -16.806 1.00 0.00 C ATOM 870 C CYS A 70 12.493 14.189 -16.578 1.00 0.00 C ATOM 871 O CYS A 70 13.304 14.316 -17.503 1.00 0.00 O ATOM 872 CB CYS A 70 10.791 16.004 -16.810 1.00 0.00 C ATOM 873 SG CYS A 70 10.967 16.786 -15.203 1.00 0.00 S ATOM 0 H CYS A 70 10.276 14.178 -14.872 1.00 0.00 H new ATOM 0 HA CYS A 70 10.760 14.101 -17.783 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.495 16.464 -17.503 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.790 16.206 -17.191 1.00 0.00 H new ATOM 878 N SER A 71 12.851 13.800 -15.353 1.00 0.00 N ATOM 879 CA SER A 71 14.230 13.410 -15.050 1.00 0.00 C ATOM 880 C SER A 71 14.701 12.308 -16.007 1.00 0.00 C ATOM 881 O SER A 71 13.904 11.465 -16.436 1.00 0.00 O ATOM 882 CB SER A 71 14.347 12.955 -13.594 1.00 0.00 C ATOM 883 OG SER A 71 14.143 14.045 -12.709 1.00 0.00 O ATOM 0 H SER A 71 12.211 13.747 -14.560 1.00 0.00 H new ATOM 0 HA SER A 71 14.875 14.277 -15.190 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.614 12.174 -13.392 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.332 12.520 -13.422 1.00 0.00 H new ATOM 0 HG SER A 71 13.453 13.810 -12.054 1.00 0.00 H new ATOM 889 N THR A 72 15.989 12.326 -16.352 1.00 0.00 N ATOM 890 CA THR A 72 16.534 11.369 -17.308 1.00 0.00 C ATOM 891 C THR A 72 16.439 9.938 -16.781 1.00 0.00 C ATOM 892 O THR A 72 16.182 9.712 -15.593 1.00 0.00 O ATOM 893 CB THR A 72 18.010 11.694 -17.679 1.00 0.00 C ATOM 894 OG1 THR A 72 18.323 11.129 -18.960 1.00 0.00 O ATOM 895 CG2 THR A 72 18.980 11.132 -16.639 1.00 0.00 C ATOM 0 H THR A 72 16.670 12.991 -15.984 1.00 0.00 H new ATOM 0 HA THR A 72 15.927 11.454 -18.210 1.00 0.00 H new ATOM 0 HB THR A 72 18.117 12.778 -17.708 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.252 11.337 -19.191 1.00 0.00 H new ATOM 0 HG21 THR A 72 20.003 11.376 -16.926 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.763 11.570 -15.665 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.867 10.049 -16.583 1.00 0.00 H new ATOM 903 N ALA A 73 16.648 8.982 -17.670 1.00 0.00 N ATOM 904 CA ALA A 73 16.582 7.588 -17.312 1.00 0.00 C ATOM 905 C ALA A 73 17.674 7.232 -16.319 1.00 0.00 C ATOM 906 O ALA A 73 18.862 7.279 -16.639 1.00 0.00 O ATOM 907 CB ALA A 73 16.686 6.719 -18.547 1.00 0.00 C ATOM 0 H ALA A 73 16.866 9.155 -18.651 1.00 0.00 H new ATOM 0 HA ALA A 73 15.618 7.404 -16.838 1.00 0.00 H new ATOM 0 HB1 ALA A 73 16.634 5.669 -18.259 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.864 6.950 -19.225 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.635 6.911 -19.048 1.00 0.00 H new ATOM 913 N CYS A 74 17.267 6.920 -15.111 1.00 0.00 N ATOM 914 CA CYS A 74 18.185 6.515 -14.068 1.00 0.00 C ATOM 915 C CYS A 74 18.865 5.218 -14.401 1.00 0.00 C ATOM 916 O CYS A 74 18.413 4.460 -15.263 1.00 0.00 O ATOM 917 CB CYS A 74 17.455 6.351 -12.746 1.00 0.00 C ATOM 918 SG CYS A 74 17.501 7.796 -11.709 1.00 0.00 S ATOM 0 H CYS A 74 16.289 6.939 -14.822 1.00 0.00 H new ATOM 0 HA CYS A 74 18.937 7.300 -13.986 1.00 0.00 H new ATOM 0 HB2 CYS A 74 16.415 6.093 -12.947 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.892 5.513 -12.203 1.00 0.00 H new ATOM 923 N LYS A 75 19.950 4.956 -13.704 1.00 0.00 N ATOM 924 CA LYS A 75 20.647 3.690 -13.843 1.00 0.00 C ATOM 925 C LYS A 75 19.916 2.598 -13.056 1.00 0.00 C ATOM 926 O LYS A 75 20.434 1.496 -12.870 1.00 0.00 O ATOM 927 CB LYS A 75 22.108 3.808 -13.380 1.00 0.00 C ATOM 928 CG LYS A 75 22.975 4.689 -14.276 1.00 0.00 C ATOM 929 CD LYS A 75 23.076 4.121 -15.691 1.00 0.00 C ATOM 930 CE LYS A 75 23.753 5.106 -16.645 1.00 0.00 C ATOM 931 NZ LYS A 75 23.129 6.450 -16.603 1.00 0.00 N ATOM 0 H LYS A 75 20.370 5.601 -13.035 1.00 0.00 H new ATOM 0 HA LYS A 75 20.655 3.417 -14.898 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.126 4.209 -12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.546 2.811 -13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.555 5.694 -14.315 1.00 0.00 H new ATOM 0 HG3 LYS A 75 23.973 4.777 -13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.639 3.188 -15.670 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.079 3.883 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.809 5.190 -16.388 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.703 4.716 -17.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.399 6.985 -17.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.094 6.351 -16.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.455 6.958 -15.756 1.00 0.00 H new ATOM 945 N CYS A 76 18.701 2.908 -12.604 1.00 0.00 N ATOM 946 CA CYS A 76 17.910 1.956 -11.892 1.00 0.00 C ATOM 947 C CYS A 76 17.005 1.238 -12.874 1.00 0.00 C ATOM 948 O CYS A 76 16.064 1.822 -13.397 1.00 0.00 O ATOM 949 CB CYS A 76 17.042 2.625 -10.820 1.00 0.00 C ATOM 950 SG CYS A 76 17.897 3.788 -9.721 1.00 0.00 S ATOM 0 H CYS A 76 18.259 3.819 -12.728 1.00 0.00 H new ATOM 0 HA CYS A 76 18.585 1.258 -11.397 1.00 0.00 H new ATOM 0 HB2 CYS A 76 16.229 3.155 -11.317 1.00 0.00 H new ATOM 0 HB3 CYS A 76 16.587 1.845 -10.209 1.00 0.00 H new ATOM 955 N ALA A 77 17.300 -0.005 -13.121 1.00 0.00 N ATOM 956 CA ALA A 77 16.526 -0.821 -14.046 1.00 0.00 C ATOM 957 C ALA A 77 16.924 -2.268 -13.893 1.00 0.00 C ATOM 958 O ALA A 77 18.078 -2.556 -13.600 1.00 0.00 O ATOM 959 CB ALA A 77 16.748 -0.364 -15.485 1.00 0.00 C ATOM 0 H ALA A 77 18.085 -0.495 -12.691 1.00 0.00 H new ATOM 0 HA ALA A 77 15.467 -0.709 -13.814 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.161 -0.987 -16.159 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.438 0.676 -15.589 1.00 0.00 H new ATOM 0 HB3 ALA A 77 17.805 -0.454 -15.736 1.00 0.00 H new ATOM 965 N ALA A 78 15.959 -3.170 -14.041 1.00 0.00 N ATOM 966 CA ALA A 78 16.210 -4.615 -13.943 1.00 0.00 C ATOM 967 C ALA A 78 16.816 -4.994 -12.587 1.00 0.00 C ATOM 968 O ALA A 78 17.516 -5.998 -12.466 1.00 0.00 O ATOM 969 CB ALA A 78 17.111 -5.074 -15.083 1.00 0.00 C ATOM 0 H ALA A 78 14.986 -2.929 -14.231 1.00 0.00 H new ATOM 0 HA ALA A 78 15.251 -5.126 -14.025 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.288 -6.146 -14.998 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.628 -4.861 -16.037 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.062 -4.544 -15.031 1.00 0.00 H new ATOM 975 N GLY A 79 16.519 -4.197 -11.568 1.00 0.00 N ATOM 976 CA GLY A 79 17.040 -4.464 -10.241 1.00 0.00 C ATOM 977 C GLY A 79 18.317 -3.703 -9.937 1.00 0.00 C ATOM 978 O GLY A 79 18.915 -3.893 -8.891 1.00 0.00 O ATOM 0 H GLY A 79 15.926 -3.370 -11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.284 -4.202 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.229 -5.533 -10.140 1.00 0.00 H new ATOM 982 N SER A 80 18.710 -2.815 -10.834 1.00 0.00 N ATOM 983 CA SER A 80 19.955 -2.062 -10.681 1.00 0.00 C ATOM 984 C SER A 80 19.787 -0.841 -9.744 1.00 0.00 C ATOM 985 O SER A 80 20.572 0.104 -9.796 1.00 0.00 O ATOM 986 CB SER A 80 20.470 -1.623 -12.064 1.00 0.00 C ATOM 987 OG SER A 80 21.786 -1.096 -11.998 1.00 0.00 O ATOM 0 H SER A 80 18.187 -2.593 -11.681 1.00 0.00 H new ATOM 0 HA SER A 80 20.689 -2.719 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.454 -2.475 -12.744 1.00 0.00 H new ATOM 0 HB3 SER A 80 19.799 -0.871 -12.479 1.00 0.00 H new ATOM 0 HG SER A 80 21.855 -0.482 -11.237 1.00 0.00 H new ATOM 993 N CYS A 81 18.772 -0.866 -8.891 1.00 0.00 N ATOM 994 CA CYS A 81 18.572 0.196 -7.927 1.00 0.00 C ATOM 995 C CYS A 81 19.631 0.110 -6.821 1.00 0.00 C ATOM 996 O CYS A 81 20.035 -0.987 -6.431 1.00 0.00 O ATOM 997 CB CYS A 81 17.182 0.081 -7.319 1.00 0.00 C ATOM 998 SG CYS A 81 16.932 1.094 -5.851 1.00 0.00 S ATOM 0 H CYS A 81 18.077 -1.612 -8.851 1.00 0.00 H new ATOM 0 HA CYS A 81 18.666 1.157 -8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 81 16.444 0.362 -8.071 1.00 0.00 H new ATOM 0 HB3 CYS A 81 16.995 -0.962 -7.063 1.00 0.00 H new ATOM 1003 N LYS A 82 20.091 1.259 -6.329 1.00 0.00 N ATOM 1004 CA LYS A 82 21.076 1.265 -5.252 1.00 0.00 C ATOM 1005 C LYS A 82 20.912 2.488 -4.344 1.00 0.00 C ATOM 1006 O LYS A 82 21.810 2.828 -3.577 1.00 0.00 O ATOM 1007 CB LYS A 82 22.511 1.186 -5.819 1.00 0.00 C ATOM 1008 CG LYS A 82 22.982 2.435 -6.560 1.00 0.00 C ATOM 1009 CD LYS A 82 24.045 3.214 -5.767 1.00 0.00 C ATOM 1010 CE LYS A 82 25.422 2.543 -5.801 1.00 0.00 C ATOM 1011 NZ LYS A 82 25.483 1.306 -4.986 1.00 0.00 N ATOM 0 H LYS A 82 19.803 2.182 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 82 20.901 0.379 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 82 23.200 0.988 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 82 22.571 0.335 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 82 23.391 2.148 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 82 22.128 3.084 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 82 24.127 4.222 -6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 82 23.719 3.312 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 82 25.679 2.305 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 82 26.172 3.247 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 26.474 1.094 -4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.940 1.441 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 25.078 0.515 -5.525 1.00 0.00 H new ATOM 1025 N CYS A 83 19.762 3.143 -4.418 1.00 0.00 N ATOM 1026 CA CYS A 83 19.519 4.308 -3.577 1.00 0.00 C ATOM 1027 C CYS A 83 18.669 3.940 -2.361 1.00 0.00 C ATOM 1028 O CYS A 83 18.615 4.684 -1.382 1.00 0.00 O ATOM 1029 CB CYS A 83 18.854 5.426 -4.373 1.00 0.00 C ATOM 1030 SG CYS A 83 17.252 4.983 -5.050 1.00 0.00 S ATOM 0 H CYS A 83 18.993 2.894 -5.041 1.00 0.00 H new ATOM 0 HA CYS A 83 20.485 4.667 -3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 83 18.737 6.297 -3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 83 19.514 5.720 -5.189 1.00 0.00 H new ATOM 1035 N GLY A 84 18.002 2.794 -2.429 1.00 0.00 N ATOM 1036 CA GLY A 84 17.205 2.340 -1.304 1.00 0.00 C ATOM 1037 C GLY A 84 15.718 2.598 -1.471 1.00 0.00 C ATOM 1038 O GLY A 84 14.959 2.507 -0.508 1.00 0.00 O ATOM 0 H GLY A 84 17.998 2.173 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.366 1.271 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.552 2.838 -0.399 1.00 0.00 H new ATOM 1042 N LYS A 85 15.296 2.936 -2.679 1.00 0.00 N ATOM 1043 CA LYS A 85 13.873 3.151 -2.942 1.00 0.00 C ATOM 1044 C LYS A 85 13.246 1.887 -3.468 1.00 0.00 C ATOM 1045 O LYS A 85 12.042 1.665 -3.319 1.00 0.00 O ATOM 1046 CB LYS A 85 13.661 4.284 -3.946 1.00 0.00 C ATOM 1047 CG LYS A 85 14.217 5.611 -3.492 1.00 0.00 C ATOM 1048 CD LYS A 85 13.608 6.041 -2.173 1.00 0.00 C ATOM 1049 CE LYS A 85 14.341 7.225 -1.611 1.00 0.00 C ATOM 1050 NZ LYS A 85 14.210 8.426 -2.480 1.00 0.00 N ATOM 0 H LYS A 85 15.905 3.067 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 85 13.398 3.430 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.127 4.010 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.593 4.394 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.300 5.538 -3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.020 6.369 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.557 6.292 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.644 5.214 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.954 7.452 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.396 6.976 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.673 9.237 -2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.662 8.241 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.203 8.640 -2.627 1.00 0.00 H new ATOM 1064 N GLY A 86 14.072 1.059 -4.075 1.00 0.00 N ATOM 1065 CA GLY A 86 13.591 -0.182 -4.657 1.00 0.00 C ATOM 1066 C GLY A 86 12.570 0.084 -5.734 1.00 0.00 C ATOM 1067 O GLY A 86 11.504 -0.530 -5.766 1.00 0.00 O ATOM 0 H GLY A 86 15.074 1.219 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.429 -0.740 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.150 -0.805 -3.879 1.00 0.00 H new ATOM 1071 N CYS A 87 12.899 1.001 -6.613 1.00 0.00 N ATOM 1072 CA CYS A 87 11.994 1.423 -7.664 1.00 0.00 C ATOM 1073 C CYS A 87 12.342 0.739 -8.962 1.00 0.00 C ATOM 1074 O CYS A 87 11.463 0.283 -9.692 1.00 0.00 O ATOM 1075 CB CYS A 87 12.090 2.928 -7.821 1.00 0.00 C ATOM 1076 SG CYS A 87 13.789 3.523 -7.764 1.00 0.00 S ATOM 0 H CYS A 87 13.801 1.478 -6.623 1.00 0.00 H new ATOM 0 HA CYS A 87 10.973 1.148 -7.398 1.00 0.00 H new ATOM 0 HB2 CYS A 87 11.638 3.220 -8.769 1.00 0.00 H new ATOM 0 HB3 CYS A 87 11.514 3.410 -7.031 1.00 0.00 H new ATOM 1081 N THR A 88 13.644 0.671 -9.239 1.00 0.00 N ATOM 1082 CA THR A 88 14.175 0.021 -10.428 1.00 0.00 C ATOM 1083 C THR A 88 13.499 0.532 -11.700 1.00 0.00 C ATOM 1084 O THR A 88 12.954 -0.241 -12.489 1.00 0.00 O ATOM 1085 CB THR A 88 14.078 -1.528 -10.337 1.00 0.00 C ATOM 1086 OG1 THR A 88 12.718 -1.949 -10.169 1.00 0.00 O ATOM 1087 CG2 THR A 88 14.899 -2.038 -9.167 1.00 0.00 C ATOM 0 H THR A 88 14.363 1.071 -8.636 1.00 0.00 H new ATOM 0 HA THR A 88 15.232 0.283 -10.481 1.00 0.00 H new ATOM 0 HB THR A 88 14.466 -1.940 -11.269 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.117 -1.199 -10.362 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.822 -3.124 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.942 -1.754 -9.303 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.523 -1.603 -8.241 1.00 0.00 H new ATOM 1095 N GLY A 89 13.535 1.835 -11.883 1.00 0.00 N ATOM 1096 CA GLY A 89 12.937 2.429 -13.047 1.00 0.00 C ATOM 1097 C GLY A 89 12.791 3.918 -12.900 1.00 0.00 C ATOM 1098 O GLY A 89 12.430 4.401 -11.830 1.00 0.00 O ATOM 0 H GLY A 89 13.971 2.496 -11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.548 2.208 -13.922 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.958 1.983 -13.221 1.00 0.00 H new ATOM 1102 N PRO A 90 13.042 4.671 -13.973 1.00 0.00 N ATOM 1103 CA PRO A 90 13.020 6.141 -13.937 1.00 0.00 C ATOM 1104 C PRO A 90 11.627 6.719 -13.698 1.00 0.00 C ATOM 1105 O PRO A 90 11.482 7.754 -13.058 1.00 0.00 O ATOM 1106 CB PRO A 90 13.527 6.538 -15.328 1.00 0.00 C ATOM 1107 CG PRO A 90 13.230 5.364 -16.199 1.00 0.00 C ATOM 1108 CD PRO A 90 13.356 4.150 -15.322 1.00 0.00 C ATOM 0 HA PRO A 90 13.622 6.526 -13.113 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.024 7.435 -15.690 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.595 6.756 -15.311 1.00 0.00 H new ATOM 0 HG2 PRO A 90 12.228 5.437 -16.622 1.00 0.00 H new ATOM 0 HG3 PRO A 90 13.927 5.314 -17.036 1.00 0.00 H new ATOM 0 HD2 PRO A 90 12.663 3.364 -15.621 1.00 0.00 H new ATOM 0 HD3 PRO A 90 14.359 3.724 -15.366 1.00 0.00 H new ATOM 1116 N ASP A 91 10.612 6.032 -14.190 1.00 0.00 N ATOM 1117 CA ASP A 91 9.239 6.519 -14.086 1.00 0.00 C ATOM 1118 C ASP A 91 8.671 6.277 -12.695 1.00 0.00 C ATOM 1119 O ASP A 91 7.645 6.847 -12.325 1.00 0.00 O ATOM 1120 CB ASP A 91 8.342 5.830 -15.119 1.00 0.00 C ATOM 1121 CG ASP A 91 8.900 5.874 -16.526 1.00 0.00 C ATOM 1122 OD1 ASP A 91 9.614 4.918 -16.911 1.00 0.00 O ATOM 1123 OD2 ASP A 91 8.625 6.845 -17.258 1.00 0.00 O ATOM 0 H ASP A 91 10.707 5.135 -14.666 1.00 0.00 H new ATOM 0 HA ASP A 91 9.260 7.592 -14.278 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.196 4.790 -14.826 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.361 6.304 -15.111 1.00 0.00 H new ATOM 1128 N SER A 92 9.336 5.435 -11.928 1.00 0.00 N ATOM 1129 CA SER A 92 8.857 5.086 -10.605 1.00 0.00 C ATOM 1130 C SER A 92 9.848 5.524 -9.520 1.00 0.00 C ATOM 1131 O SER A 92 9.717 5.140 -8.360 1.00 0.00 O ATOM 1132 CB SER A 92 8.601 3.573 -10.525 1.00 0.00 C ATOM 1133 OG SER A 92 7.935 3.219 -9.321 1.00 0.00 O ATOM 0 H SER A 92 10.208 4.981 -12.198 1.00 0.00 H new ATOM 0 HA SER A 92 7.921 5.616 -10.428 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.001 3.259 -11.379 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.549 3.039 -10.588 1.00 0.00 H new ATOM 0 HG SER A 92 8.596 2.958 -8.646 1.00 0.00 H new ATOM 1139 N CYS A 93 10.818 6.332 -9.893 1.00 0.00 N ATOM 1140 CA CYS A 93 11.815 6.812 -8.947 1.00 0.00 C ATOM 1141 C CYS A 93 11.216 7.906 -8.061 1.00 0.00 C ATOM 1142 O CYS A 93 10.803 8.940 -8.545 1.00 0.00 O ATOM 1143 CB CYS A 93 13.035 7.341 -9.696 1.00 0.00 C ATOM 1144 SG CYS A 93 14.598 6.708 -9.072 1.00 0.00 S ATOM 0 H CYS A 93 10.941 6.673 -10.846 1.00 0.00 H new ATOM 0 HA CYS A 93 12.128 5.984 -8.312 1.00 0.00 H new ATOM 0 HB2 CYS A 93 12.943 7.081 -10.751 1.00 0.00 H new ATOM 0 HB3 CYS A 93 13.044 8.429 -9.635 1.00 0.00 H new ATOM 1149 N LYS A 94 11.191 7.674 -6.759 1.00 0.00 N ATOM 1150 CA LYS A 94 10.568 8.611 -5.828 1.00 0.00 C ATOM 1151 C LYS A 94 11.622 9.501 -5.187 1.00 0.00 C ATOM 1152 O LYS A 94 11.733 9.588 -3.956 1.00 0.00 O ATOM 1153 CB LYS A 94 9.764 7.876 -4.739 1.00 0.00 C ATOM 1154 CG LYS A 94 8.658 6.954 -5.259 1.00 0.00 C ATOM 1155 CD LYS A 94 9.160 5.529 -5.434 1.00 0.00 C ATOM 1156 CE LYS A 94 8.021 4.538 -5.620 1.00 0.00 C ATOM 1157 NZ LYS A 94 7.298 4.730 -6.900 1.00 0.00 N ATOM 0 H LYS A 94 11.594 6.846 -6.319 1.00 0.00 H new ATOM 0 HA LYS A 94 9.875 9.230 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.454 7.286 -4.136 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.316 8.617 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.818 6.963 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.287 7.330 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.824 5.483 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.749 5.243 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.418 3.523 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.319 4.638 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.512 4.052 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.923 5.699 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.951 4.574 -7.694 1.00 0.00 H new ATOM 1171 N CYS A 95 12.412 10.124 -6.022 1.00 0.00 N ATOM 1172 CA CYS A 95 13.466 11.016 -5.572 1.00 0.00 C ATOM 1173 C CYS A 95 13.849 12.013 -6.660 1.00 0.00 C ATOM 1174 O CYS A 95 13.228 12.054 -7.723 1.00 0.00 O ATOM 1175 CB CYS A 95 14.674 10.193 -5.168 1.00 0.00 C ATOM 1176 SG CYS A 95 14.888 8.713 -6.174 1.00 0.00 S ATOM 0 H CYS A 95 12.348 10.032 -7.036 1.00 0.00 H new ATOM 0 HA CYS A 95 13.102 11.585 -4.716 1.00 0.00 H new ATOM 0 HB2 CYS A 95 15.569 10.810 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 95 14.576 9.903 -4.122 1.00 0.00 H new ATOM 1181 N ASP A 96 14.852 12.837 -6.371 1.00 0.00 N ATOM 1182 CA ASP A 96 15.352 13.801 -7.334 1.00 0.00 C ATOM 1183 C ASP A 96 16.420 13.184 -8.228 1.00 0.00 C ATOM 1184 O ASP A 96 16.872 12.064 -8.000 1.00 0.00 O ATOM 1185 CB ASP A 96 15.907 15.048 -6.632 1.00 0.00 C ATOM 1186 CG ASP A 96 17.047 14.744 -5.692 1.00 0.00 C ATOM 1187 OD1 ASP A 96 16.796 14.594 -4.478 1.00 0.00 O ATOM 1188 OD2 ASP A 96 18.194 14.666 -6.153 1.00 0.00 O ATOM 0 H ASP A 96 15.334 12.853 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 96 14.511 14.102 -7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.245 15.760 -7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.104 15.531 -6.075 1.00 0.00 H new ATOM 1193 N ARG A 97 16.843 13.949 -9.217 1.00 0.00 N ATOM 1194 CA ARG A 97 17.815 13.484 -10.217 1.00 0.00 C ATOM 1195 C ARG A 97 19.248 13.590 -9.745 1.00 0.00 C ATOM 1196 O ARG A 97 20.181 13.458 -10.544 1.00 0.00 O ATOM 1197 CB ARG A 97 17.684 14.285 -11.488 1.00 0.00 C ATOM 1198 CG ARG A 97 17.480 15.764 -11.258 1.00 0.00 C ATOM 1199 CD ARG A 97 17.642 16.540 -12.540 1.00 0.00 C ATOM 1200 NE ARG A 97 19.003 17.068 -12.716 1.00 0.00 N ATOM 1201 CZ ARG A 97 19.432 17.685 -13.827 1.00 0.00 C ATOM 1202 NH1 ARG A 97 18.650 17.741 -14.900 1.00 0.00 N ATOM 1203 NH2 ARG A 97 20.646 18.230 -13.868 1.00 0.00 N ATOM 0 H ARG A 97 16.530 14.909 -9.359 1.00 0.00 H new ATOM 0 HA ARG A 97 17.586 12.432 -10.388 1.00 0.00 H new ATOM 0 HB2 ARG A 97 18.580 14.141 -12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.845 13.897 -12.066 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.485 15.938 -10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 97 18.197 16.123 -10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.395 15.896 -13.384 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.932 17.367 -12.552 1.00 0.00 H new ATOM 0 HE ARG A 97 19.662 16.958 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.724 17.315 -14.879 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.976 18.210 -15.745 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.255 18.180 -13.052 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.967 18.698 -14.716 1.00 0.00 H new ATOM 1217 N SER A 98 19.436 13.828 -8.492 1.00 0.00 N ATOM 1218 CA SER A 98 20.755 13.975 -7.962 1.00 0.00 C ATOM 1219 C SER A 98 20.924 13.111 -6.717 1.00 0.00 C ATOM 1220 O SER A 98 21.749 13.392 -5.847 1.00 0.00 O ATOM 1221 CB SER A 98 21.005 15.449 -7.670 1.00 0.00 C ATOM 1222 OG SER A 98 21.001 16.215 -8.874 1.00 0.00 O ATOM 0 H SER A 98 18.687 13.926 -7.807 1.00 0.00 H new ATOM 0 HA SER A 98 21.493 13.635 -8.688 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.238 15.825 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 98 21.963 15.566 -7.163 1.00 0.00 H new ATOM 0 HG SER A 98 21.162 17.158 -8.662 1.00 0.00 H new ATOM 1228 N CYS A 99 20.147 12.037 -6.662 1.00 0.00 N ATOM 1229 CA CYS A 99 20.188 11.104 -5.552 1.00 0.00 C ATOM 1230 C CYS A 99 21.408 10.165 -5.673 1.00 0.00 C ATOM 1231 O CYS A 99 22.258 10.343 -6.551 1.00 0.00 O ATOM 1232 CB CYS A 99 18.881 10.297 -5.507 1.00 0.00 C ATOM 1233 SG CYS A 99 18.653 9.305 -4.007 1.00 0.00 S ATOM 0 H CYS A 99 19.472 11.791 -7.387 1.00 0.00 H new ATOM 0 HA CYS A 99 20.289 11.664 -4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 99 18.041 10.986 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 99 18.849 9.635 -6.372 1.00 0.00 H new ATOM 1238 N SER A 100 21.476 9.169 -4.795 1.00 0.00 N ATOM 1239 CA SER A 100 22.580 8.214 -4.767 1.00 0.00 C ATOM 1240 C SER A 100 22.591 7.333 -6.025 1.00 0.00 C ATOM 1241 O SER A 100 23.630 6.781 -6.398 1.00 0.00 O ATOM 1242 CB SER A 100 22.483 7.342 -3.503 1.00 0.00 C ATOM 1243 OG SER A 100 23.555 6.413 -3.419 1.00 0.00 O ATOM 0 H SER A 100 20.767 9.001 -4.082 1.00 0.00 H new ATOM 0 HA SER A 100 23.515 8.774 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.486 7.981 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.535 6.804 -3.505 1.00 0.00 H new ATOM 0 HG SER A 100 23.461 5.878 -2.603 1.00 0.00 H new ATOM 1249 N CYS A 101 21.441 7.209 -6.668 1.00 0.00 N ATOM 1250 CA CYS A 101 21.322 6.407 -7.872 1.00 0.00 C ATOM 1251 C CYS A 101 21.955 7.124 -9.063 1.00 0.00 C ATOM 1252 O CYS A 101 22.599 6.501 -9.911 1.00 0.00 O ATOM 1253 CB CYS A 101 19.854 6.108 -8.145 1.00 0.00 C ATOM 1254 SG CYS A 101 18.789 7.558 -8.020 1.00 0.00 S ATOM 0 H CYS A 101 20.573 7.657 -6.373 1.00 0.00 H new ATOM 0 HA CYS A 101 21.854 5.467 -7.725 1.00 0.00 H new ATOM 0 HB2 CYS A 101 19.758 5.681 -9.143 1.00 0.00 H new ATOM 0 HB3 CYS A 101 19.508 5.351 -7.441 1.00 0.00 H new ATOM 1259 N LYS A 102 21.783 8.434 -9.111 1.00 0.00 N ATOM 1260 CA LYS A 102 22.340 9.236 -10.187 1.00 0.00 C ATOM 1261 C LYS A 102 23.815 9.547 -9.934 1.00 0.00 C ATOM 1262 O LYS A 102 24.114 10.696 -9.506 1.00 0.00 O ATOM 1263 CB LYS A 102 21.544 10.536 -10.346 1.00 0.00 C ATOM 1264 CG LYS A 102 20.127 10.341 -10.877 1.00 0.00 C ATOM 1265 CD LYS A 102 20.119 9.843 -12.323 1.00 0.00 C ATOM 1266 CE LYS A 102 20.292 10.951 -13.340 1.00 0.00 C ATOM 1267 NZ LYS A 102 21.534 11.741 -13.138 1.00 0.00 N ATOM 0 H LYS A 102 21.260 8.966 -8.415 1.00 0.00 H new ATOM 0 HA LYS A 102 22.268 8.661 -11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 102 21.492 11.037 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 102 22.085 11.200 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.598 9.627 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.584 11.284 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.918 9.113 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.179 9.326 -12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 102 20.303 10.519 -14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 102 19.432 11.619 -13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 21.748 12.279 -14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.401 12.400 -12.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 22.324 11.098 -12.926 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 17.186 6.471 -9.598 1.00 0.00 CD HETATM 1283 CD CD A 202 16.467 3.381 -7.068 1.00 0.00 CD HETATM 1284 CD CD A 203 17.325 7.597 -5.837 1.00 0.00 CD HETATM 1285 CD CD A 204 8.545 17.221 -14.211 1.00 0.00 CD HETATM 1286 CD CD A 205 11.043 19.916 -12.218 1.00 0.00 CD HETATM 1287 CD CD A 206 11.756 19.080 -16.207 1.00 0.00 CD HETATM 1288 CD CD A 207 6.168 25.588 4.458 1.00 0.00 CD HETATM 1289 CD CD A 208 4.403 27.249 1.279 1.00 0.00 CD HETATM 1290 CD CD A 209 6.345 23.497 0.927 1.00 0.00 CD