USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=32 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 45 THR OG1 : rot 150:sc= -0.117 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 60 ASN : amide:sc= -0.227 K(o=-0.34,f=-1.9) USER MOD Set 2.1: A 37 SER OG : rot -20:sc= 0.174 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -168:sc= -0.0315 (180deg=-0.178) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -160:sc= -0.169 (180deg=-0.701) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -170:sc=-0.00942 USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00423) USER MOD Single : A 17 GLN : amide:sc= -0.975 X(o=-0.98,f=-0.67) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0557 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= -0.271 X(o=-0.27,f=-0.031) USER MOD Single : A 30 THR OG1 : rot -90:sc= 0.34 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.077 X(o=0.077,f=-0.091) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0.974 (180deg=0.875) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 2.28 (180deg=2.11) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0618 F(o=-2,f=-0.062) USER MOD Single : A 69 SER OG : rot 95:sc= 1.14 USER MOD Single : A 71 SER OG : rot 98:sc= 0.668 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -0.0977 (180deg=-0.61) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -168:sc= -0.0255 (180deg=-0.238) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 7:sc= 1.06 USER MOD Single : A 92 SER OG : rot 62:sc= 1.25 USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= -0.051 (180deg=-0.312) USER MOD Single : A 98 SER OG : rot -48:sc= 0.561 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 1.3 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.280 13.204 0.283 1.00 0.00 N ATOM 2 CA GLY A 1 26.438 12.922 1.479 1.00 0.00 C ATOM 3 C GLY A 1 25.078 13.589 1.394 1.00 0.00 C ATOM 4 O GLY A 1 24.092 13.076 1.938 1.00 0.00 O ATOM 0 H1 GLY A 1 28.108 12.574 0.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.723 13.041 -0.580 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.598 14.194 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.306 11.845 1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.955 13.268 2.374 1.00 0.00 H new ATOM 7 N SER A 2 25.035 14.743 0.721 1.00 0.00 N ATOM 8 CA SER A 2 23.798 15.494 0.514 1.00 0.00 C ATOM 9 C SER A 2 23.130 15.867 1.843 1.00 0.00 C ATOM 10 O SER A 2 21.913 15.715 2.007 1.00 0.00 O ATOM 11 CB SER A 2 22.836 14.692 -0.372 1.00 0.00 C ATOM 12 OG SER A 2 23.447 14.371 -1.615 1.00 0.00 O ATOM 0 H SER A 2 25.857 15.181 0.306 1.00 0.00 H new ATOM 0 HA SER A 2 24.052 16.425 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.539 13.777 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.928 15.269 -0.546 1.00 0.00 H new ATOM 0 HG SER A 2 22.819 13.858 -2.165 1.00 0.00 H new ATOM 18 N MET A 3 23.927 16.357 2.779 1.00 0.00 N ATOM 19 CA MET A 3 23.414 16.769 4.080 1.00 0.00 C ATOM 20 C MET A 3 22.653 18.093 3.965 1.00 0.00 C ATOM 21 O MET A 3 23.251 19.165 3.917 1.00 0.00 O ATOM 22 CB MET A 3 24.551 16.883 5.114 1.00 0.00 C ATOM 23 CG MET A 3 25.699 17.801 4.694 1.00 0.00 C ATOM 24 SD MET A 3 26.946 18.015 5.983 1.00 0.00 S ATOM 25 CE MET A 3 25.981 18.828 7.257 1.00 0.00 C ATOM 0 H MET A 3 24.933 16.480 2.664 1.00 0.00 H new ATOM 0 HA MET A 3 22.721 16.002 4.427 1.00 0.00 H new ATOM 0 HB2 MET A 3 24.136 17.248 6.053 1.00 0.00 H new ATOM 0 HB3 MET A 3 24.951 15.887 5.307 1.00 0.00 H new ATOM 0 HG2 MET A 3 26.174 17.393 3.802 1.00 0.00 H new ATOM 0 HG3 MET A 3 25.295 18.776 4.422 1.00 0.00 H new ATOM 0 HE1 MET A 3 26.650 19.338 7.950 1.00 0.00 H new ATOM 0 HE2 MET A 3 25.311 19.555 6.798 1.00 0.00 H new ATOM 0 HE3 MET A 3 25.395 18.086 7.799 1.00 0.00 H new ATOM 35 N SER A 4 21.341 18.011 3.899 1.00 0.00 N ATOM 36 CA SER A 4 20.519 19.196 3.775 1.00 0.00 C ATOM 37 C SER A 4 19.143 18.960 4.385 1.00 0.00 C ATOM 38 O SER A 4 18.478 17.959 4.088 1.00 0.00 O ATOM 39 CB SER A 4 20.392 19.605 2.298 1.00 0.00 C ATOM 40 OG SER A 4 19.712 20.844 2.160 1.00 0.00 O ATOM 0 H SER A 4 20.820 17.135 3.929 1.00 0.00 H new ATOM 0 HA SER A 4 20.999 20.009 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.384 19.681 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 4 19.856 18.831 1.749 1.00 0.00 H new ATOM 0 HG SER A 4 19.648 21.078 1.211 1.00 0.00 H new ATOM 46 N SER A 5 18.737 19.868 5.248 1.00 0.00 N ATOM 47 CA SER A 5 17.447 19.793 5.889 1.00 0.00 C ATOM 48 C SER A 5 16.415 20.510 5.032 1.00 0.00 C ATOM 49 O SER A 5 16.535 21.703 4.783 1.00 0.00 O ATOM 50 CB SER A 5 17.528 20.430 7.272 1.00 0.00 C ATOM 51 OG SER A 5 18.647 19.930 7.991 1.00 0.00 O ATOM 0 H SER A 5 19.294 20.677 5.523 1.00 0.00 H new ATOM 0 HA SER A 5 17.149 18.750 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.606 21.513 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.612 20.225 7.826 1.00 0.00 H new ATOM 0 HG SER A 5 18.683 20.352 8.875 1.00 0.00 H new ATOM 57 N VAL A 6 15.410 19.774 4.578 1.00 0.00 N ATOM 58 CA VAL A 6 14.386 20.331 3.698 1.00 0.00 C ATOM 59 C VAL A 6 13.581 21.453 4.384 1.00 0.00 C ATOM 60 O VAL A 6 13.220 22.444 3.751 1.00 0.00 O ATOM 61 CB VAL A 6 13.427 19.221 3.170 1.00 0.00 C ATOM 62 CG1 VAL A 6 12.575 18.635 4.286 1.00 0.00 C ATOM 63 CG2 VAL A 6 12.555 19.750 2.046 1.00 0.00 C ATOM 0 H VAL A 6 15.280 18.788 4.804 1.00 0.00 H new ATOM 0 HA VAL A 6 14.909 20.770 2.848 1.00 0.00 H new ATOM 0 HB VAL A 6 14.046 18.416 2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.920 17.865 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 6 13.222 18.196 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.972 19.424 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.895 18.957 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.957 20.585 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.186 20.088 1.224 1.00 0.00 H new ATOM 73 N PHE A 7 13.335 21.304 5.677 1.00 0.00 N ATOM 74 CA PHE A 7 12.569 22.289 6.423 1.00 0.00 C ATOM 75 C PHE A 7 13.423 23.505 6.758 1.00 0.00 C ATOM 76 O PHE A 7 14.639 23.393 6.942 1.00 0.00 O ATOM 77 CB PHE A 7 11.989 21.672 7.708 1.00 0.00 C ATOM 78 CG PHE A 7 13.031 21.115 8.650 1.00 0.00 C ATOM 79 CD1 PHE A 7 13.543 21.892 9.679 1.00 0.00 C ATOM 80 CD2 PHE A 7 13.495 19.816 8.503 1.00 0.00 C ATOM 81 CE1 PHE A 7 14.497 21.385 10.540 1.00 0.00 C ATOM 82 CE2 PHE A 7 14.448 19.304 9.362 1.00 0.00 C ATOM 83 CZ PHE A 7 14.949 20.090 10.381 1.00 0.00 C ATOM 0 H PHE A 7 13.655 20.510 6.231 1.00 0.00 H new ATOM 0 HA PHE A 7 11.742 22.615 5.792 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.409 22.431 8.233 1.00 0.00 H new ATOM 0 HB3 PHE A 7 11.298 20.874 7.435 1.00 0.00 H new ATOM 0 HD1 PHE A 7 13.192 22.905 9.808 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.107 19.198 7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 7 14.889 22.001 11.336 1.00 0.00 H new ATOM 0 HE2 PHE A 7 14.801 18.291 9.237 1.00 0.00 H new ATOM 0 HZ PHE A 7 15.694 19.692 11.054 1.00 0.00 H new ATOM 93 N GLY A 8 12.786 24.659 6.819 1.00 0.00 N ATOM 94 CA GLY A 8 13.487 25.875 7.155 1.00 0.00 C ATOM 95 C GLY A 8 13.640 26.069 8.647 1.00 0.00 C ATOM 96 O GLY A 8 14.370 25.330 9.309 1.00 0.00 O ATOM 0 H GLY A 8 11.789 24.776 6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.474 25.860 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.951 26.726 6.735 1.00 0.00 H new ATOM 100 N ALA A 9 12.946 27.058 9.182 1.00 0.00 N ATOM 101 CA ALA A 9 13.030 27.365 10.601 1.00 0.00 C ATOM 102 C ALA A 9 11.656 27.674 11.168 1.00 0.00 C ATOM 103 O ALA A 9 11.528 28.341 12.192 1.00 0.00 O ATOM 104 CB ALA A 9 13.965 28.540 10.816 1.00 0.00 C ATOM 0 H ALA A 9 12.317 27.664 8.655 1.00 0.00 H new ATOM 0 HA ALA A 9 13.424 26.494 11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.025 28.767 11.880 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.957 28.289 10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.585 29.410 10.280 1.00 0.00 H new ATOM 110 N GLY A 10 10.634 27.173 10.502 1.00 0.00 N ATOM 111 CA GLY A 10 9.275 27.416 10.938 1.00 0.00 C ATOM 112 C GLY A 10 8.282 27.230 9.817 1.00 0.00 C ATOM 113 O GLY A 10 7.589 28.171 9.424 1.00 0.00 O ATOM 0 H GLY A 10 10.718 26.599 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.030 26.739 11.756 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.195 28.430 11.329 1.00 0.00 H new ATOM 117 N CYS A 11 8.228 26.028 9.282 1.00 0.00 N ATOM 118 CA CYS A 11 7.309 25.719 8.204 1.00 0.00 C ATOM 119 C CYS A 11 5.966 25.283 8.732 1.00 0.00 C ATOM 120 O CYS A 11 5.812 24.993 9.918 1.00 0.00 O ATOM 121 CB CYS A 11 7.874 24.618 7.328 1.00 0.00 C ATOM 122 SG CYS A 11 9.454 25.012 6.603 1.00 0.00 S ATOM 0 H CYS A 11 8.812 25.245 9.577 1.00 0.00 H new ATOM 0 HA CYS A 11 7.178 26.629 7.619 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.974 23.710 7.922 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.163 24.401 6.531 1.00 0.00 H new ATOM 127 N THR A 12 5.000 25.236 7.854 1.00 0.00 N ATOM 128 CA THR A 12 3.692 24.770 8.197 1.00 0.00 C ATOM 129 C THR A 12 3.603 23.291 7.881 1.00 0.00 C ATOM 130 O THR A 12 4.504 22.733 7.242 1.00 0.00 O ATOM 131 CB THR A 12 2.620 25.526 7.396 1.00 0.00 C ATOM 132 OG1 THR A 12 2.883 25.385 5.994 1.00 0.00 O ATOM 133 CG2 THR A 12 2.621 26.998 7.762 1.00 0.00 C ATOM 0 H THR A 12 5.103 25.521 6.880 1.00 0.00 H new ATOM 0 HA THR A 12 3.519 24.944 9.259 1.00 0.00 H new ATOM 0 HB THR A 12 1.643 25.105 7.635 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.300 25.990 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.856 27.517 7.185 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.411 27.109 8.826 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.597 27.428 7.539 1.00 0.00 H new ATOM 141 N ASP A 13 2.541 22.648 8.312 1.00 0.00 N ATOM 142 CA ASP A 13 2.358 21.240 8.009 1.00 0.00 C ATOM 143 C ASP A 13 1.936 21.072 6.568 1.00 0.00 C ATOM 144 O ASP A 13 1.992 19.980 6.011 1.00 0.00 O ATOM 145 CB ASP A 13 1.358 20.589 8.958 1.00 0.00 C ATOM 146 CG ASP A 13 1.940 20.375 10.333 1.00 0.00 C ATOM 147 OD1 ASP A 13 2.611 19.339 10.545 1.00 0.00 O ATOM 148 OD2 ASP A 13 1.740 21.240 11.213 1.00 0.00 O ATOM 0 H ASP A 13 1.796 23.069 8.868 1.00 0.00 H new ATOM 0 HA ASP A 13 3.311 20.732 8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.470 21.216 9.034 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.038 19.632 8.547 1.00 0.00 H new ATOM 153 N VAL A 14 1.536 22.179 5.962 1.00 0.00 N ATOM 154 CA VAL A 14 1.166 22.210 4.565 1.00 0.00 C ATOM 155 C VAL A 14 2.406 21.992 3.707 1.00 0.00 C ATOM 156 O VAL A 14 2.348 21.378 2.644 1.00 0.00 O ATOM 157 CB VAL A 14 0.523 23.565 4.194 1.00 0.00 C ATOM 158 CG1 VAL A 14 0.090 23.586 2.741 1.00 0.00 C ATOM 159 CG2 VAL A 14 -0.654 23.863 5.103 1.00 0.00 C ATOM 0 H VAL A 14 1.460 23.082 6.431 1.00 0.00 H new ATOM 0 HA VAL A 14 0.439 21.418 4.384 1.00 0.00 H new ATOM 0 HB VAL A 14 1.275 24.342 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.359 24.552 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.957 23.426 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.640 22.796 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.094 24.821 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.402 23.077 4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.313 23.905 6.137 1.00 0.00 H new ATOM 169 N CYS A 15 3.532 22.472 4.201 1.00 0.00 N ATOM 170 CA CYS A 15 4.793 22.338 3.506 1.00 0.00 C ATOM 171 C CYS A 15 5.277 20.888 3.584 1.00 0.00 C ATOM 172 O CYS A 15 5.990 20.403 2.711 1.00 0.00 O ATOM 173 CB CYS A 15 5.819 23.285 4.131 1.00 0.00 C ATOM 174 SG CYS A 15 7.381 23.391 3.253 1.00 0.00 S ATOM 0 H CYS A 15 3.596 22.964 5.092 1.00 0.00 H new ATOM 0 HA CYS A 15 4.665 22.601 2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.383 24.282 4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.015 22.962 5.154 1.00 0.00 H new ATOM 179 N LYS A 16 4.836 20.186 4.626 1.00 0.00 N ATOM 180 CA LYS A 16 5.234 18.801 4.839 1.00 0.00 C ATOM 181 C LYS A 16 4.312 17.850 4.071 1.00 0.00 C ATOM 182 O LYS A 16 4.381 16.630 4.237 1.00 0.00 O ATOM 183 CB LYS A 16 5.211 18.458 6.339 1.00 0.00 C ATOM 184 CG LYS A 16 5.841 19.521 7.234 1.00 0.00 C ATOM 185 CD LYS A 16 7.313 19.766 6.909 1.00 0.00 C ATOM 186 CE LYS A 16 7.808 21.010 7.604 1.00 0.00 C ATOM 187 NZ LYS A 16 7.835 20.847 9.084 1.00 0.00 N ATOM 0 H LYS A 16 4.203 20.556 5.335 1.00 0.00 H new ATOM 0 HA LYS A 16 6.251 18.679 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.177 18.304 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.734 17.514 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.289 20.455 7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.749 19.214 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.908 18.907 7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.441 19.869 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.809 21.251 7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.166 21.851 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.213 21.711 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.870 20.676 9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.441 20.039 9.333 1.00 0.00 H new ATOM 201 N GLN A 17 3.446 18.418 3.234 1.00 0.00 N ATOM 202 CA GLN A 17 2.524 17.617 2.417 1.00 0.00 C ATOM 203 C GLN A 17 3.270 16.908 1.282 1.00 0.00 C ATOM 204 O GLN A 17 4.488 17.033 1.139 1.00 0.00 O ATOM 205 CB GLN A 17 1.385 18.478 1.830 1.00 0.00 C ATOM 206 CG GLN A 17 0.287 18.847 2.821 1.00 0.00 C ATOM 207 CD GLN A 17 -0.854 19.638 2.175 1.00 0.00 C ATOM 208 OE1 GLN A 17 -1.149 19.480 0.995 1.00 0.00 O ATOM 209 NE2 GLN A 17 -1.502 20.483 2.956 1.00 0.00 N ATOM 0 H GLN A 17 3.360 19.426 3.101 1.00 0.00 H new ATOM 0 HA GLN A 17 2.084 16.869 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.813 19.395 1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.936 17.941 0.995 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.115 17.937 3.267 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.718 19.435 3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.228 20.587 3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.277 21.031 2.582 1.00 0.00 H new ATOM 218 N THR A 18 2.536 16.174 0.479 1.00 0.00 N ATOM 219 CA THR A 18 3.109 15.443 -0.640 1.00 0.00 C ATOM 220 C THR A 18 2.072 15.274 -1.758 1.00 0.00 C ATOM 221 O THR A 18 1.150 14.459 -1.643 1.00 0.00 O ATOM 222 CB THR A 18 3.633 14.053 -0.206 1.00 0.00 C ATOM 223 OG1 THR A 18 4.555 14.199 0.886 1.00 0.00 O ATOM 224 CG2 THR A 18 4.336 13.357 -1.366 1.00 0.00 C ATOM 0 H THR A 18 1.527 16.063 0.578 1.00 0.00 H new ATOM 0 HA THR A 18 3.952 16.026 -1.010 1.00 0.00 H new ATOM 0 HB THR A 18 2.782 13.448 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.882 13.316 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.697 12.381 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.636 13.228 -2.191 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.179 13.964 -1.697 1.00 0.00 H new ATOM 232 N PRO A 19 2.197 16.055 -2.853 1.00 0.00 N ATOM 233 CA PRO A 19 3.276 17.043 -3.021 1.00 0.00 C ATOM 234 C PRO A 19 3.117 18.233 -2.080 1.00 0.00 C ATOM 235 O PRO A 19 2.092 18.371 -1.416 1.00 0.00 O ATOM 236 CB PRO A 19 3.120 17.490 -4.476 1.00 0.00 C ATOM 237 CG PRO A 19 1.683 17.267 -4.782 1.00 0.00 C ATOM 238 CD PRO A 19 1.280 16.046 -4.005 1.00 0.00 C ATOM 0 HA PRO A 19 4.256 16.624 -2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.394 18.537 -4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.762 16.911 -5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.084 18.130 -4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.530 17.118 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.238 16.097 -3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.389 15.138 -4.598 1.00 0.00 H new ATOM 246 N CYS A 20 4.143 19.073 -2.027 1.00 0.00 N ATOM 247 CA CYS A 20 4.154 20.247 -1.164 1.00 0.00 C ATOM 248 C CYS A 20 2.885 21.048 -1.324 1.00 0.00 C ATOM 249 O CYS A 20 2.532 21.475 -2.430 1.00 0.00 O ATOM 250 CB CYS A 20 5.363 21.101 -1.487 1.00 0.00 C ATOM 251 SG CYS A 20 5.536 22.591 -0.501 1.00 0.00 S ATOM 0 H CYS A 20 4.991 18.959 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 20 4.211 19.918 -0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.260 20.495 -1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.317 21.384 -2.538 1.00 0.00 H new ATOM 256 N GLY A 21 2.205 21.252 -0.227 1.00 0.00 N ATOM 257 CA GLY A 21 0.955 21.935 -0.260 1.00 0.00 C ATOM 258 C GLY A 21 1.108 23.428 -0.418 1.00 0.00 C ATOM 259 O GLY A 21 0.170 24.100 -0.796 1.00 0.00 O ATOM 0 H GLY A 21 2.504 20.951 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.356 21.547 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.408 21.726 0.659 1.00 0.00 H new ATOM 263 N CYS A 22 2.297 23.952 -0.153 1.00 0.00 N ATOM 264 CA CYS A 22 2.539 25.395 -0.268 1.00 0.00 C ATOM 265 C CYS A 22 2.253 25.906 -1.674 1.00 0.00 C ATOM 266 O CYS A 22 1.883 27.063 -1.862 1.00 0.00 O ATOM 267 CB CYS A 22 3.979 25.738 0.104 1.00 0.00 C ATOM 268 SG CYS A 22 4.374 25.541 1.847 1.00 0.00 S ATOM 0 H CYS A 22 3.108 23.409 0.142 1.00 0.00 H new ATOM 0 HA CYS A 22 1.856 25.884 0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.650 25.108 -0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.178 26.770 -0.185 1.00 0.00 H new ATOM 273 N ALA A 23 2.389 25.035 -2.652 1.00 0.00 N ATOM 274 CA ALA A 23 2.227 25.427 -4.036 1.00 0.00 C ATOM 275 C ALA A 23 0.774 25.365 -4.505 1.00 0.00 C ATOM 276 O ALA A 23 0.469 25.759 -5.626 1.00 0.00 O ATOM 277 CB ALA A 23 3.116 24.581 -4.923 1.00 0.00 C ATOM 0 H ALA A 23 2.612 24.049 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 23 2.529 26.471 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.987 24.884 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.157 24.719 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.845 23.531 -4.815 1.00 0.00 H new ATOM 283 N THR A 24 -0.115 24.877 -3.661 1.00 0.00 N ATOM 284 CA THR A 24 -1.520 24.801 -4.036 1.00 0.00 C ATOM 285 C THR A 24 -2.440 25.294 -2.910 1.00 0.00 C ATOM 286 O THR A 24 -3.562 25.740 -3.158 1.00 0.00 O ATOM 287 CB THR A 24 -1.920 23.360 -4.469 1.00 0.00 C ATOM 288 OG1 THR A 24 -3.289 23.332 -4.904 1.00 0.00 O ATOM 289 CG2 THR A 24 -1.727 22.368 -3.328 1.00 0.00 C ATOM 0 H THR A 24 0.102 24.532 -2.726 1.00 0.00 H new ATOM 0 HA THR A 24 -1.650 25.464 -4.891 1.00 0.00 H new ATOM 0 HB THR A 24 -1.271 23.069 -5.295 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.528 22.421 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.015 21.371 -3.660 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.680 22.362 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.348 22.661 -2.482 1.00 0.00 H new ATOM 297 N SER A 25 -1.960 25.234 -1.688 1.00 0.00 N ATOM 298 CA SER A 25 -2.747 25.635 -0.537 1.00 0.00 C ATOM 299 C SER A 25 -2.217 26.935 0.076 1.00 0.00 C ATOM 300 O SER A 25 -2.885 27.562 0.902 1.00 0.00 O ATOM 301 CB SER A 25 -2.752 24.513 0.498 1.00 0.00 C ATOM 302 OG SER A 25 -3.138 23.281 -0.098 1.00 0.00 O ATOM 0 H SER A 25 -1.020 24.909 -1.462 1.00 0.00 H new ATOM 0 HA SER A 25 -3.769 25.823 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.760 24.414 0.939 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.438 24.762 1.308 1.00 0.00 H new ATOM 0 HG SER A 25 -3.134 22.574 0.580 1.00 0.00 H new ATOM 308 N GLY A 26 -1.019 27.335 -0.331 1.00 0.00 N ATOM 309 CA GLY A 26 -0.454 28.570 0.161 1.00 0.00 C ATOM 310 C GLY A 26 0.880 28.385 0.849 1.00 0.00 C ATOM 311 O GLY A 26 1.028 27.528 1.726 1.00 0.00 O ATOM 0 H GLY A 26 -0.432 26.826 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.333 29.263 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.154 29.029 0.859 1.00 0.00 H new ATOM 315 N CYS A 27 1.845 29.190 0.448 1.00 0.00 N ATOM 316 CA CYS A 27 3.182 29.155 1.012 1.00 0.00 C ATOM 317 C CYS A 27 3.220 30.069 2.239 1.00 0.00 C ATOM 318 O CYS A 27 3.042 31.285 2.118 1.00 0.00 O ATOM 319 CB CYS A 27 4.189 29.624 -0.052 1.00 0.00 C ATOM 320 SG CYS A 27 5.926 29.360 0.364 1.00 0.00 S ATOM 0 H CYS A 27 1.723 29.891 -0.283 1.00 0.00 H new ATOM 0 HA CYS A 27 3.446 28.142 1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.973 29.106 -0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.033 30.687 -0.233 1.00 0.00 H new ATOM 325 N ASN A 28 3.432 29.492 3.419 1.00 0.00 N ATOM 326 CA ASN A 28 3.364 30.280 4.655 1.00 0.00 C ATOM 327 C ASN A 28 4.512 29.942 5.625 1.00 0.00 C ATOM 328 O ASN A 28 4.438 30.237 6.817 1.00 0.00 O ATOM 329 CB ASN A 28 1.995 30.038 5.324 1.00 0.00 C ATOM 330 CG ASN A 28 1.585 31.131 6.301 1.00 0.00 C ATOM 331 OD1 ASN A 28 1.012 32.151 5.903 1.00 0.00 O ATOM 332 ND2 ASN A 28 1.836 30.921 7.577 1.00 0.00 N ATOM 0 H ASN A 28 3.648 28.504 3.550 1.00 0.00 H new ATOM 0 HA ASN A 28 3.475 31.334 4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.233 29.952 4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.023 29.084 5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.555 31.612 8.273 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.311 30.067 7.870 1.00 0.00 H new ATOM 339 N CYS A 29 5.569 29.340 5.117 1.00 0.00 N ATOM 340 CA CYS A 29 6.713 29.000 5.949 1.00 0.00 C ATOM 341 C CYS A 29 7.744 30.121 5.938 1.00 0.00 C ATOM 342 O CYS A 29 7.495 31.204 5.405 1.00 0.00 O ATOM 343 CB CYS A 29 7.345 27.713 5.457 1.00 0.00 C ATOM 344 SG CYS A 29 7.624 27.686 3.694 1.00 0.00 S ATOM 0 H CYS A 29 5.663 29.076 4.136 1.00 0.00 H new ATOM 0 HA CYS A 29 6.365 28.863 6.973 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.295 27.565 5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.703 26.875 5.728 1.00 0.00 H new ATOM 349 N THR A 30 8.893 29.860 6.529 1.00 0.00 N ATOM 350 CA THR A 30 9.965 30.824 6.568 1.00 0.00 C ATOM 351 C THR A 30 10.797 30.740 5.301 1.00 0.00 C ATOM 352 O THR A 30 10.844 29.694 4.654 1.00 0.00 O ATOM 353 CB THR A 30 10.864 30.589 7.792 1.00 0.00 C ATOM 354 OG1 THR A 30 10.965 29.176 8.060 1.00 0.00 O ATOM 355 CG2 THR A 30 10.303 31.295 9.009 1.00 0.00 C ATOM 0 H THR A 30 9.106 28.977 6.993 1.00 0.00 H new ATOM 0 HA THR A 30 9.523 31.818 6.642 1.00 0.00 H new ATOM 0 HB THR A 30 11.853 30.992 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.250 28.908 8.675 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.954 31.117 9.865 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.245 32.366 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.306 30.911 9.225 1.00 0.00 H new ATOM 363 N ASP A 31 11.457 31.831 4.946 1.00 0.00 N ATOM 364 CA ASP A 31 12.286 31.862 3.744 1.00 0.00 C ATOM 365 C ASP A 31 13.489 30.932 3.892 1.00 0.00 C ATOM 366 O ASP A 31 14.074 30.480 2.899 1.00 0.00 O ATOM 367 CB ASP A 31 12.747 33.286 3.443 1.00 0.00 C ATOM 368 CG ASP A 31 13.531 33.375 2.155 1.00 0.00 C ATOM 369 OD1 ASP A 31 12.907 33.420 1.072 1.00 0.00 O ATOM 370 OD2 ASP A 31 14.776 33.408 2.212 1.00 0.00 O ATOM 0 H ASP A 31 11.437 32.706 5.469 1.00 0.00 H new ATOM 0 HA ASP A 31 11.682 31.511 2.907 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.878 33.942 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.363 33.648 4.266 1.00 0.00 H new ATOM 375 N ASP A 32 13.832 30.627 5.146 1.00 0.00 N ATOM 376 CA ASP A 32 14.938 29.712 5.462 1.00 0.00 C ATOM 377 C ASP A 32 14.664 28.317 4.920 1.00 0.00 C ATOM 378 O ASP A 32 15.565 27.483 4.851 1.00 0.00 O ATOM 379 CB ASP A 32 15.172 29.631 6.974 1.00 0.00 C ATOM 380 CG ASP A 32 15.648 30.933 7.571 1.00 0.00 C ATOM 381 OD1 ASP A 32 16.808 31.317 7.320 1.00 0.00 O ATOM 382 OD2 ASP A 32 14.868 31.578 8.306 1.00 0.00 O ATOM 0 H ASP A 32 13.357 31.002 5.967 1.00 0.00 H new ATOM 0 HA ASP A 32 15.833 30.111 4.985 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.245 29.331 7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 32 15.907 28.853 7.181 1.00 0.00 H new ATOM 387 N CYS A 33 13.402 28.070 4.567 1.00 0.00 N ATOM 388 CA CYS A 33 12.967 26.808 3.992 1.00 0.00 C ATOM 389 C CYS A 33 13.889 26.368 2.836 1.00 0.00 C ATOM 390 O CYS A 33 14.185 27.151 1.926 1.00 0.00 O ATOM 391 CB CYS A 33 11.530 26.968 3.504 1.00 0.00 C ATOM 392 SG CYS A 33 10.844 25.517 2.730 1.00 0.00 S ATOM 0 H CYS A 33 12.650 28.751 4.675 1.00 0.00 H new ATOM 0 HA CYS A 33 13.018 26.030 4.754 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.901 27.244 4.351 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.491 27.795 2.795 1.00 0.00 H new ATOM 397 N LYS A 34 14.335 25.120 2.881 1.00 0.00 N ATOM 398 CA LYS A 34 15.245 24.573 1.872 1.00 0.00 C ATOM 399 C LYS A 34 14.517 23.610 0.956 1.00 0.00 C ATOM 400 O LYS A 34 15.139 22.789 0.276 1.00 0.00 O ATOM 401 CB LYS A 34 16.398 23.831 2.550 1.00 0.00 C ATOM 402 CG LYS A 34 17.372 24.714 3.315 1.00 0.00 C ATOM 403 CD LYS A 34 18.498 25.255 2.422 1.00 0.00 C ATOM 404 CE LYS A 34 17.988 26.259 1.396 1.00 0.00 C ATOM 405 NZ LYS A 34 19.098 26.959 0.710 1.00 0.00 N ATOM 0 H LYS A 34 14.080 24.457 3.613 1.00 0.00 H new ATOM 0 HA LYS A 34 15.632 25.405 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.982 23.095 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.952 23.279 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.830 25.550 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.806 24.144 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.257 25.728 3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.981 24.425 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.373 25.744 0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.348 26.990 1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.709 27.633 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.671 27.472 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.695 26.264 0.217 1.00 0.00 H new ATOM 419 N CYS A 35 13.219 23.718 0.925 1.00 0.00 N ATOM 420 CA CYS A 35 12.420 22.814 0.157 1.00 0.00 C ATOM 421 C CYS A 35 12.431 23.163 -1.328 1.00 0.00 C ATOM 422 O CYS A 35 12.321 24.322 -1.707 1.00 0.00 O ATOM 423 CB CYS A 35 11.003 22.789 0.691 1.00 0.00 C ATOM 424 SG CYS A 35 9.949 21.634 -0.168 1.00 0.00 S ATOM 0 H CYS A 35 12.691 24.431 1.428 1.00 0.00 H new ATOM 0 HA CYS A 35 12.855 21.820 0.256 1.00 0.00 H new ATOM 0 HB2 CYS A 35 11.025 22.532 1.750 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.575 23.788 0.614 1.00 0.00 H new ATOM 429 N GLN A 36 12.560 22.139 -2.162 1.00 0.00 N ATOM 430 CA GLN A 36 12.587 22.315 -3.618 1.00 0.00 C ATOM 431 C GLN A 36 11.173 22.299 -4.158 1.00 0.00 C ATOM 432 O GLN A 36 10.925 22.645 -5.308 1.00 0.00 O ATOM 433 CB GLN A 36 13.325 21.152 -4.288 1.00 0.00 C ATOM 434 CG GLN A 36 14.430 20.525 -3.468 1.00 0.00 C ATOM 435 CD GLN A 36 14.677 19.087 -3.880 1.00 0.00 C ATOM 436 OE1 GLN A 36 14.043 18.169 -3.361 1.00 0.00 O ATOM 437 NE2 GLN A 36 15.596 18.880 -4.803 1.00 0.00 N ATOM 0 H GLN A 36 12.648 21.170 -1.857 1.00 0.00 H new ATOM 0 HA GLN A 36 13.087 23.260 -3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.598 20.379 -4.538 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.749 21.506 -5.227 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.347 21.102 -3.588 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.167 20.562 -2.411 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.099 19.670 -5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.804 17.930 -5.112 1.00 0.00 H new ATOM 446 N SER A 37 10.254 21.894 -3.318 1.00 0.00 N ATOM 447 CA SER A 37 8.907 21.662 -3.743 1.00 0.00 C ATOM 448 C SER A 37 8.065 22.936 -3.739 1.00 0.00 C ATOM 449 O SER A 37 7.216 23.101 -4.596 1.00 0.00 O ATOM 450 CB SER A 37 8.276 20.572 -2.892 1.00 0.00 C ATOM 451 OG SER A 37 7.241 19.895 -3.599 1.00 0.00 O ATOM 0 H SER A 37 10.422 21.718 -2.327 1.00 0.00 H new ATOM 0 HA SER A 37 8.938 21.325 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.040 19.856 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.870 21.010 -1.980 1.00 0.00 H new ATOM 0 HG SER A 37 6.931 20.455 -4.341 1.00 0.00 H new ATOM 457 N CYS A 38 8.274 23.825 -2.782 1.00 0.00 N ATOM 458 CA CYS A 38 7.530 25.074 -2.801 1.00 0.00 C ATOM 459 C CYS A 38 8.343 26.158 -3.493 1.00 0.00 C ATOM 460 O CYS A 38 7.793 27.136 -4.000 1.00 0.00 O ATOM 461 CB CYS A 38 7.088 25.510 -1.401 1.00 0.00 C ATOM 462 SG CYS A 38 8.419 25.946 -0.281 1.00 0.00 S ATOM 0 H CYS A 38 8.928 23.713 -2.008 1.00 0.00 H new ATOM 0 HA CYS A 38 6.616 24.907 -3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.421 26.367 -1.498 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.507 24.704 -0.953 1.00 0.00 H new ATOM 467 N LYS A 39 9.658 25.962 -3.540 1.00 0.00 N ATOM 468 CA LYS A 39 10.549 26.881 -4.239 1.00 0.00 C ATOM 469 C LYS A 39 10.608 26.534 -5.732 1.00 0.00 C ATOM 470 O LYS A 39 11.688 26.493 -6.336 1.00 0.00 O ATOM 471 CB LYS A 39 11.973 26.860 -3.634 1.00 0.00 C ATOM 472 CG LYS A 39 12.189 27.815 -2.452 1.00 0.00 C ATOM 473 CD LYS A 39 11.611 27.284 -1.149 1.00 0.00 C ATOM 474 CE LYS A 39 11.671 28.334 -0.051 1.00 0.00 C ATOM 475 NZ LYS A 39 13.050 28.836 0.180 1.00 0.00 N ATOM 0 H LYS A 39 10.130 25.172 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 39 10.147 27.887 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.198 25.845 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.688 27.108 -4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.257 27.992 -2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.732 28.778 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.577 26.977 -1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.163 26.397 -0.838 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.023 29.170 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.282 27.910 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.031 29.585 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.653 28.055 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.433 29.220 -0.707 1.00 0.00 H new ATOM 489 N TYR A 40 9.440 26.277 -6.325 1.00 0.00 N ATOM 490 CA TYR A 40 9.360 25.962 -7.742 1.00 0.00 C ATOM 491 C TYR A 40 9.873 27.121 -8.578 1.00 0.00 C ATOM 492 O TYR A 40 9.548 28.281 -8.323 1.00 0.00 O ATOM 493 CB TYR A 40 7.933 25.586 -8.161 1.00 0.00 C ATOM 494 CG TYR A 40 7.563 24.134 -7.900 1.00 0.00 C ATOM 495 CD1 TYR A 40 6.291 23.787 -7.464 1.00 0.00 C ATOM 496 CD2 TYR A 40 8.489 23.113 -8.101 1.00 0.00 C ATOM 497 CE1 TYR A 40 5.951 22.463 -7.231 1.00 0.00 C ATOM 498 CE2 TYR A 40 8.157 21.793 -7.871 1.00 0.00 C ATOM 499 CZ TYR A 40 6.891 21.471 -7.437 1.00 0.00 C ATOM 500 OH TYR A 40 6.563 20.152 -7.206 1.00 0.00 O ATOM 0 H TYR A 40 8.542 26.282 -5.842 1.00 0.00 H new ATOM 0 HA TYR A 40 9.995 25.094 -7.920 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.230 26.228 -7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.813 25.793 -9.224 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.555 24.561 -7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.484 23.358 -8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.958 22.209 -6.891 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.889 21.015 -8.031 1.00 0.00 H new ATOM 0 HH TYR A 40 7.337 19.583 -7.401 1.00 0.00 H new ATOM 510 N GLY A 41 10.667 26.798 -9.574 1.00 0.00 N ATOM 511 CA GLY A 41 11.286 27.809 -10.390 1.00 0.00 C ATOM 512 C GLY A 41 12.777 27.625 -10.392 1.00 0.00 C ATOM 513 O GLY A 41 13.452 27.903 -11.380 1.00 0.00 O ATOM 0 H GLY A 41 10.898 25.840 -9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.903 27.751 -11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.034 28.799 -10.010 1.00 0.00 H new ATOM 517 N ALA A 42 13.292 27.126 -9.278 1.00 0.00 N ATOM 518 CA ALA A 42 14.707 26.843 -9.145 1.00 0.00 C ATOM 519 C ALA A 42 15.001 25.446 -9.655 1.00 0.00 C ATOM 520 O ALA A 42 16.154 25.054 -9.814 1.00 0.00 O ATOM 521 CB ALA A 42 15.139 26.975 -7.694 1.00 0.00 C ATOM 0 H ALA A 42 12.742 26.908 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 42 15.269 27.564 -9.739 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.204 26.759 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.946 27.990 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.577 26.270 -7.081 1.00 0.00 H new ATOM 527 N GLY A 43 13.944 24.695 -9.904 1.00 0.00 N ATOM 528 CA GLY A 43 14.097 23.352 -10.388 1.00 0.00 C ATOM 529 C GLY A 43 13.157 23.012 -11.527 1.00 0.00 C ATOM 530 O GLY A 43 13.229 21.921 -12.069 1.00 0.00 O ATOM 0 H GLY A 43 12.978 24.998 -9.777 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.125 23.208 -10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.927 22.656 -9.566 1.00 0.00 H new ATOM 534 N CYS A 44 12.329 23.960 -11.933 1.00 0.00 N ATOM 535 CA CYS A 44 11.295 23.682 -12.935 1.00 0.00 C ATOM 536 C CYS A 44 11.357 24.599 -14.142 1.00 0.00 C ATOM 537 O CYS A 44 12.312 25.354 -14.325 1.00 0.00 O ATOM 538 CB CYS A 44 9.912 23.765 -12.300 1.00 0.00 C ATOM 539 SG CYS A 44 9.442 22.295 -11.397 1.00 0.00 S ATOM 0 H CYS A 44 12.346 24.921 -11.593 1.00 0.00 H new ATOM 0 HA CYS A 44 11.487 22.672 -13.297 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.884 24.620 -11.624 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.175 23.952 -13.081 1.00 0.00 H new ATOM 544 N THR A 45 10.313 24.507 -14.959 1.00 0.00 N ATOM 545 CA THR A 45 10.161 25.276 -16.148 1.00 0.00 C ATOM 546 C THR A 45 8.671 25.383 -16.421 1.00 0.00 C ATOM 547 O THR A 45 7.860 24.770 -15.706 1.00 0.00 O ATOM 548 CB THR A 45 10.877 24.603 -17.353 1.00 0.00 C ATOM 549 OG1 THR A 45 10.761 25.414 -18.525 1.00 0.00 O ATOM 550 CG2 THR A 45 10.290 23.226 -17.636 1.00 0.00 C ATOM 0 H THR A 45 9.535 23.869 -14.789 1.00 0.00 H new ATOM 0 HA THR A 45 10.612 26.260 -16.017 1.00 0.00 H new ATOM 0 HB THR A 45 11.930 24.494 -17.091 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.545 25.277 -19.096 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.808 22.777 -18.483 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.411 22.591 -16.758 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.230 23.323 -17.869 1.00 0.00 H new ATOM 558 N ASP A 46 8.296 26.123 -17.422 1.00 0.00 N ATOM 559 CA ASP A 46 6.884 26.286 -17.735 1.00 0.00 C ATOM 560 C ASP A 46 6.351 25.110 -18.525 1.00 0.00 C ATOM 561 O ASP A 46 5.147 24.939 -18.669 1.00 0.00 O ATOM 562 CB ASP A 46 6.625 27.599 -18.457 1.00 0.00 C ATOM 563 CG ASP A 46 6.552 28.765 -17.499 1.00 0.00 C ATOM 564 OD1 ASP A 46 6.069 29.840 -17.901 1.00 0.00 O ATOM 565 OD2 ASP A 46 6.971 28.607 -16.322 1.00 0.00 O ATOM 0 H ASP A 46 8.934 26.625 -18.040 1.00 0.00 H new ATOM 0 HA ASP A 46 6.342 26.317 -16.790 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.418 27.776 -19.184 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.691 27.528 -19.015 1.00 0.00 H new ATOM 570 N THR A 47 7.254 24.288 -19.000 1.00 0.00 N ATOM 571 CA THR A 47 6.904 23.112 -19.756 1.00 0.00 C ATOM 572 C THR A 47 6.451 21.982 -18.810 1.00 0.00 C ATOM 573 O THR A 47 5.677 21.104 -19.189 1.00 0.00 O ATOM 574 CB THR A 47 8.119 22.637 -20.575 1.00 0.00 C ATOM 575 OG1 THR A 47 8.848 23.778 -21.060 1.00 0.00 O ATOM 576 CG2 THR A 47 7.677 21.798 -21.758 1.00 0.00 C ATOM 0 H THR A 47 8.258 24.417 -18.872 1.00 0.00 H new ATOM 0 HA THR A 47 6.084 23.362 -20.430 1.00 0.00 H new ATOM 0 HB THR A 47 8.753 22.031 -19.928 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.622 23.475 -21.579 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.552 21.474 -22.321 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.131 20.925 -21.401 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.029 22.392 -22.403 1.00 0.00 H new ATOM 584 N CYS A 48 6.917 22.040 -17.567 1.00 0.00 N ATOM 585 CA CYS A 48 6.614 21.005 -16.574 1.00 0.00 C ATOM 586 C CYS A 48 5.269 21.258 -15.903 1.00 0.00 C ATOM 587 O CYS A 48 4.557 20.321 -15.548 1.00 0.00 O ATOM 588 CB CYS A 48 7.734 20.933 -15.516 1.00 0.00 C ATOM 589 SG CYS A 48 7.475 19.695 -14.210 1.00 0.00 S ATOM 0 H CYS A 48 7.509 22.794 -17.218 1.00 0.00 H new ATOM 0 HA CYS A 48 6.556 20.049 -17.094 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.676 20.717 -16.020 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.839 21.913 -15.051 1.00 0.00 H new ATOM 594 N LYS A 49 4.902 22.525 -15.760 1.00 0.00 N ATOM 595 CA LYS A 49 3.657 22.882 -15.096 1.00 0.00 C ATOM 596 C LYS A 49 2.460 22.832 -16.055 1.00 0.00 C ATOM 597 O LYS A 49 1.410 23.414 -15.783 1.00 0.00 O ATOM 598 CB LYS A 49 3.783 24.264 -14.465 1.00 0.00 C ATOM 599 CG LYS A 49 4.302 25.313 -15.423 1.00 0.00 C ATOM 600 CD LYS A 49 4.335 26.690 -14.794 1.00 0.00 C ATOM 601 CE LYS A 49 5.357 26.797 -13.676 1.00 0.00 C ATOM 602 NZ LYS A 49 6.747 26.842 -14.200 1.00 0.00 N ATOM 0 H LYS A 49 5.447 23.320 -16.094 1.00 0.00 H new ATOM 0 HA LYS A 49 3.472 22.145 -14.314 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.808 24.575 -14.090 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.451 24.204 -13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.305 25.040 -15.751 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.672 25.336 -16.312 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.562 27.430 -15.561 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.347 26.930 -14.402 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.161 27.694 -13.089 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.250 25.946 -13.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.409 27.000 -13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.972 25.940 -14.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.834 27.618 -14.887 1.00 0.00 H new ATOM 616 N GLN A 50 2.626 22.133 -17.173 1.00 0.00 N ATOM 617 CA GLN A 50 1.550 21.972 -18.140 1.00 0.00 C ATOM 618 C GLN A 50 0.704 20.745 -17.795 1.00 0.00 C ATOM 619 O GLN A 50 0.857 20.157 -16.725 1.00 0.00 O ATOM 620 CB GLN A 50 2.114 21.826 -19.543 1.00 0.00 C ATOM 621 CG GLN A 50 3.122 22.887 -19.892 1.00 0.00 C ATOM 622 CD GLN A 50 3.376 22.986 -21.369 1.00 0.00 C ATOM 623 OE1 GLN A 50 3.216 22.018 -22.109 1.00 0.00 O ATOM 624 NE2 GLN A 50 3.820 24.126 -21.792 1.00 0.00 N ATOM 0 H GLN A 50 3.497 21.669 -17.431 1.00 0.00 H new ATOM 0 HA GLN A 50 0.921 22.861 -18.102 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.580 20.846 -19.639 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.295 21.862 -20.262 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.771 23.851 -19.523 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.060 22.673 -19.380 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.937 24.902 -21.140 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.053 24.249 -22.777 1.00 0.00 H new ATOM 633 N THR A 51 -0.177 20.363 -18.706 1.00 0.00 N ATOM 634 CA THR A 51 -1.037 19.207 -18.510 1.00 0.00 C ATOM 635 C THR A 51 -1.146 18.390 -19.814 1.00 0.00 C ATOM 636 O THR A 51 -1.506 18.930 -20.856 1.00 0.00 O ATOM 637 CB THR A 51 -2.451 19.634 -18.051 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.347 20.493 -16.905 1.00 0.00 O ATOM 639 CG2 THR A 51 -3.294 18.418 -17.690 1.00 0.00 C ATOM 0 H THR A 51 -0.316 20.842 -19.596 1.00 0.00 H new ATOM 0 HA THR A 51 -0.589 18.590 -17.731 1.00 0.00 H new ATOM 0 HB THR A 51 -2.933 20.164 -18.873 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.244 20.764 -16.617 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.284 18.743 -17.370 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.389 17.770 -18.561 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.813 17.869 -16.880 1.00 0.00 H new ATOM 647 N PRO A 52 -0.804 17.084 -19.771 1.00 0.00 N ATOM 648 CA PRO A 52 -0.314 16.434 -18.554 1.00 0.00 C ATOM 649 C PRO A 52 1.074 16.928 -18.171 1.00 0.00 C ATOM 650 O PRO A 52 1.362 17.146 -16.996 1.00 0.00 O ATOM 651 CB PRO A 52 -0.272 14.949 -18.930 1.00 0.00 C ATOM 652 CG PRO A 52 -0.144 14.934 -20.415 1.00 0.00 C ATOM 653 CD PRO A 52 -0.896 16.136 -20.905 1.00 0.00 C ATOM 0 HA PRO A 52 -0.946 16.644 -17.691 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.570 14.445 -18.456 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.176 14.433 -18.606 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.902 14.978 -20.717 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.558 14.017 -20.833 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.450 16.548 -21.810 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.932 15.893 -21.142 1.00 0.00 H new ATOM 661 N CYS A 53 1.917 17.116 -19.175 1.00 0.00 N ATOM 662 CA CYS A 53 3.256 17.602 -18.973 1.00 0.00 C ATOM 663 C CYS A 53 3.940 17.795 -20.317 1.00 0.00 C ATOM 664 O CYS A 53 4.011 16.864 -21.116 1.00 0.00 O ATOM 665 CB CYS A 53 4.045 16.612 -18.135 1.00 0.00 C ATOM 666 SG CYS A 53 5.441 17.335 -17.275 1.00 0.00 S ATOM 0 H CYS A 53 1.683 16.933 -20.151 1.00 0.00 H new ATOM 0 HA CYS A 53 3.213 18.557 -18.450 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.377 16.157 -17.404 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.404 15.811 -18.780 1.00 0.00 H new ATOM 671 N GLY A 54 4.431 18.997 -20.567 1.00 0.00 N ATOM 672 CA GLY A 54 5.104 19.267 -21.819 1.00 0.00 C ATOM 673 C GLY A 54 6.495 18.662 -21.849 1.00 0.00 C ATOM 674 O GLY A 54 7.013 18.322 -22.912 1.00 0.00 O ATOM 0 H GLY A 54 4.376 19.790 -19.927 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.514 18.866 -22.643 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.172 20.344 -21.971 1.00 0.00 H new ATOM 678 N CYS A 55 7.089 18.506 -20.669 1.00 0.00 N ATOM 679 CA CYS A 55 8.429 17.961 -20.545 1.00 0.00 C ATOM 680 C CYS A 55 8.468 16.478 -20.873 1.00 0.00 C ATOM 681 O CYS A 55 9.543 15.892 -20.993 1.00 0.00 O ATOM 682 CB CYS A 55 8.962 18.202 -19.149 1.00 0.00 C ATOM 683 SG CYS A 55 9.238 19.931 -18.760 1.00 0.00 S ATOM 0 H CYS A 55 6.655 18.753 -19.780 1.00 0.00 H new ATOM 0 HA CYS A 55 9.063 18.475 -21.268 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.260 17.786 -18.427 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.900 17.660 -19.031 1.00 0.00 H new ATOM 688 N GLY A 56 7.295 15.878 -21.025 1.00 0.00 N ATOM 689 CA GLY A 56 7.217 14.477 -21.378 1.00 0.00 C ATOM 690 C GLY A 56 7.805 14.213 -22.748 1.00 0.00 C ATOM 691 O GLY A 56 8.230 13.099 -23.047 1.00 0.00 O ATOM 0 H GLY A 56 6.393 16.340 -20.909 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.748 13.884 -20.633 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.176 14.154 -21.360 1.00 0.00 H new ATOM 695 N SER A 57 7.840 15.243 -23.577 1.00 0.00 N ATOM 696 CA SER A 57 8.396 15.129 -24.906 1.00 0.00 C ATOM 697 C SER A 57 9.465 16.199 -25.153 1.00 0.00 C ATOM 698 O SER A 57 10.085 16.234 -26.219 1.00 0.00 O ATOM 699 CB SER A 57 7.281 15.234 -25.942 1.00 0.00 C ATOM 700 OG SER A 57 6.456 16.358 -25.682 1.00 0.00 O ATOM 0 H SER A 57 7.486 16.172 -23.347 1.00 0.00 H new ATOM 0 HA SER A 57 8.877 14.155 -24.997 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.712 15.317 -26.940 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.680 14.325 -25.929 1.00 0.00 H new ATOM 0 HG SER A 57 5.749 16.408 -26.358 1.00 0.00 H new ATOM 706 N GLY A 58 9.687 17.056 -24.160 1.00 0.00 N ATOM 707 CA GLY A 58 10.668 18.120 -24.299 1.00 0.00 C ATOM 708 C GLY A 58 10.916 18.854 -22.995 1.00 0.00 C ATOM 709 O GLY A 58 10.418 19.965 -22.792 1.00 0.00 O ATOM 0 H GLY A 58 9.205 17.033 -23.261 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.607 17.700 -24.660 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.326 18.829 -25.052 1.00 0.00 H new ATOM 713 N CYS A 59 11.684 18.234 -22.113 1.00 0.00 N ATOM 714 CA CYS A 59 11.997 18.811 -20.809 1.00 0.00 C ATOM 715 C CYS A 59 12.908 20.035 -20.934 1.00 0.00 C ATOM 716 O CYS A 59 13.750 20.115 -21.842 1.00 0.00 O ATOM 717 CB CYS A 59 12.641 17.759 -19.905 1.00 0.00 C ATOM 718 SG CYS A 59 13.215 18.396 -18.311 1.00 0.00 S ATOM 0 H CYS A 59 12.108 17.321 -22.277 1.00 0.00 H new ATOM 0 HA CYS A 59 11.060 19.142 -20.361 1.00 0.00 H new ATOM 0 HB2 CYS A 59 11.921 16.961 -19.726 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.486 17.314 -20.430 1.00 0.00 H new ATOM 723 N ASN A 60 12.737 20.982 -20.016 1.00 0.00 N ATOM 724 CA ASN A 60 13.519 22.215 -20.024 1.00 0.00 C ATOM 725 C ASN A 60 13.681 22.757 -18.590 1.00 0.00 C ATOM 726 O ASN A 60 13.921 23.943 -18.382 1.00 0.00 O ATOM 727 CB ASN A 60 12.820 23.252 -20.926 1.00 0.00 C ATOM 728 CG ASN A 60 13.699 24.443 -21.287 1.00 0.00 C ATOM 729 OD1 ASN A 60 13.683 25.472 -20.618 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.467 24.305 -22.348 1.00 0.00 N ATOM 0 H ASN A 60 12.061 20.919 -19.254 1.00 0.00 H new ATOM 0 HA ASN A 60 14.515 22.013 -20.419 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.494 22.761 -21.843 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.924 23.613 -20.422 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.077 25.069 -22.639 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.452 23.434 -22.878 1.00 0.00 H new ATOM 737 N CYS A 61 13.569 21.870 -17.605 1.00 0.00 N ATOM 738 CA CYS A 61 13.665 22.272 -16.196 1.00 0.00 C ATOM 739 C CYS A 61 15.089 22.696 -15.796 1.00 0.00 C ATOM 740 O CYS A 61 16.012 22.684 -16.617 1.00 0.00 O ATOM 741 CB CYS A 61 13.146 21.167 -15.276 1.00 0.00 C ATOM 742 SG CYS A 61 11.346 21.016 -15.262 1.00 0.00 S ATOM 0 H CYS A 61 13.413 20.873 -17.750 1.00 0.00 H new ATOM 0 HA CYS A 61 13.031 23.150 -16.077 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.579 20.216 -15.586 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.493 21.359 -14.261 1.00 0.00 H new ATOM 747 N LYS A 62 15.255 23.055 -14.525 1.00 0.00 N ATOM 748 CA LYS A 62 16.527 23.578 -14.018 1.00 0.00 C ATOM 749 C LYS A 62 17.456 22.473 -13.490 1.00 0.00 C ATOM 750 O LYS A 62 18.408 22.080 -14.163 1.00 0.00 O ATOM 751 CB LYS A 62 16.256 24.608 -12.916 1.00 0.00 C ATOM 752 CG LYS A 62 15.531 25.855 -13.389 1.00 0.00 C ATOM 753 CD LYS A 62 16.485 26.867 -14.017 1.00 0.00 C ATOM 754 CE LYS A 62 17.318 27.584 -12.968 1.00 0.00 C ATOM 755 NZ LYS A 62 18.049 28.736 -13.546 1.00 0.00 N ATOM 0 H LYS A 62 14.520 22.993 -13.821 1.00 0.00 H new ATOM 0 HA LYS A 62 17.041 24.050 -14.855 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.666 24.135 -12.131 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.205 24.902 -12.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.768 25.577 -14.116 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.016 26.317 -12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.145 26.357 -14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.914 27.598 -14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.670 27.930 -12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.029 26.885 -12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.607 29.202 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.685 28.402 -14.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.369 29.414 -13.944 1.00 0.00 H new ATOM 769 N GLU A 63 17.179 21.982 -12.279 1.00 0.00 N ATOM 770 CA GLU A 63 18.032 20.970 -11.643 1.00 0.00 C ATOM 771 C GLU A 63 17.292 20.296 -10.481 1.00 0.00 C ATOM 772 O GLU A 63 17.434 19.100 -10.257 1.00 0.00 O ATOM 773 CB GLU A 63 19.338 21.637 -11.129 1.00 0.00 C ATOM 774 CG GLU A 63 20.433 20.673 -10.647 1.00 0.00 C ATOM 775 CD GLU A 63 21.319 20.146 -11.774 1.00 0.00 C ATOM 776 OE1 GLU A 63 20.873 19.232 -12.501 1.00 0.00 O ATOM 777 OE2 GLU A 63 22.449 20.638 -11.938 1.00 0.00 O ATOM 0 H GLU A 63 16.375 22.266 -11.720 1.00 0.00 H new ATOM 0 HA GLU A 63 18.283 20.207 -12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.749 22.253 -11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.083 22.308 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 63 21.057 21.182 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.966 19.830 -10.138 1.00 0.00 H new ATOM 784 N ASP A 64 16.485 21.073 -9.770 1.00 0.00 N ATOM 785 CA ASP A 64 15.758 20.586 -8.602 1.00 0.00 C ATOM 786 C ASP A 64 14.299 20.236 -8.921 1.00 0.00 C ATOM 787 O ASP A 64 13.389 20.634 -8.196 1.00 0.00 O ATOM 788 CB ASP A 64 15.796 21.651 -7.509 1.00 0.00 C ATOM 789 CG ASP A 64 17.081 21.640 -6.710 1.00 0.00 C ATOM 790 OD1 ASP A 64 18.007 22.402 -7.055 1.00 0.00 O ATOM 791 OD2 ASP A 64 17.173 20.870 -5.726 1.00 0.00 O ATOM 0 H ASP A 64 16.315 22.056 -9.985 1.00 0.00 H new ATOM 0 HA ASP A 64 16.246 19.670 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.667 22.633 -7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.954 21.499 -6.833 1.00 0.00 H new ATOM 796 N CYS A 65 14.070 19.497 -9.997 1.00 0.00 N ATOM 797 CA CYS A 65 12.698 19.096 -10.349 1.00 0.00 C ATOM 798 C CYS A 65 12.267 17.861 -9.566 1.00 0.00 C ATOM 799 O CYS A 65 13.001 16.873 -9.504 1.00 0.00 O ATOM 800 CB CYS A 65 12.558 18.823 -11.843 1.00 0.00 C ATOM 801 SG CYS A 65 10.918 18.202 -12.313 1.00 0.00 S ATOM 0 H CYS A 65 14.793 19.164 -10.635 1.00 0.00 H new ATOM 0 HA CYS A 65 12.049 19.931 -10.085 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.762 19.742 -12.393 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.313 18.097 -12.144 1.00 0.00 H new ATOM 806 N ARG A 66 11.062 17.916 -8.984 1.00 0.00 N ATOM 807 CA ARG A 66 10.523 16.796 -8.205 1.00 0.00 C ATOM 808 C ARG A 66 9.542 15.968 -9.015 1.00 0.00 C ATOM 809 O ARG A 66 8.870 15.088 -8.478 1.00 0.00 O ATOM 810 CB ARG A 66 9.817 17.279 -6.944 1.00 0.00 C ATOM 811 CG ARG A 66 10.707 17.985 -5.954 1.00 0.00 C ATOM 812 CD ARG A 66 10.057 18.021 -4.587 1.00 0.00 C ATOM 813 NE ARG A 66 10.097 16.717 -3.920 1.00 0.00 N ATOM 814 CZ ARG A 66 9.271 16.336 -2.942 1.00 0.00 C ATOM 815 NH1 ARG A 66 8.278 17.140 -2.546 1.00 0.00 N ATOM 816 NH2 ARG A 66 9.431 15.149 -2.362 1.00 0.00 N ATOM 0 H ARG A 66 10.443 18.725 -9.038 1.00 0.00 H new ATOM 0 HA ARG A 66 11.379 16.179 -7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.010 17.953 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.356 16.423 -6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.668 17.475 -5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.906 19.001 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.562 18.760 -3.966 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.021 18.344 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 66 10.807 16.052 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.149 18.049 -2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.650 16.845 -1.799 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.184 14.531 -2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.801 14.857 -1.615 1.00 0.00 H new ATOM 830 N CYS A 67 9.448 16.242 -10.292 1.00 0.00 N ATOM 831 CA CYS A 67 8.511 15.531 -11.121 1.00 0.00 C ATOM 832 C CYS A 67 9.141 14.288 -11.712 1.00 0.00 C ATOM 833 O CYS A 67 10.256 14.327 -12.211 1.00 0.00 O ATOM 834 CB CYS A 67 7.991 16.421 -12.231 1.00 0.00 C ATOM 835 SG CYS A 67 6.595 15.712 -13.107 1.00 0.00 S ATOM 0 H CYS A 67 10.004 16.947 -10.776 1.00 0.00 H new ATOM 0 HA CYS A 67 7.675 15.230 -10.489 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.698 17.383 -11.810 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.796 16.616 -12.940 1.00 0.00 H new ATOM 840 N GLN A 68 8.417 13.183 -11.671 1.00 0.00 N ATOM 841 CA GLN A 68 8.924 11.930 -12.204 1.00 0.00 C ATOM 842 C GLN A 68 8.438 11.716 -13.631 1.00 0.00 C ATOM 843 O GLN A 68 8.781 10.726 -14.270 1.00 0.00 O ATOM 844 CB GLN A 68 8.504 10.744 -11.323 1.00 0.00 C ATOM 845 CG GLN A 68 6.993 10.546 -11.212 1.00 0.00 C ATOM 846 CD GLN A 68 6.417 10.992 -9.874 1.00 0.00 C ATOM 847 OE1 GLN A 68 7.050 11.965 -9.238 1.00 0.00 O flip ATOM 848 NE2 GLN A 68 5.408 10.453 -9.412 1.00 0.00 N flip ATOM 0 H GLN A 68 7.479 13.127 -11.275 1.00 0.00 H new ATOM 0 HA GLN A 68 10.012 11.988 -12.208 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.949 9.833 -11.724 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.914 10.886 -10.323 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.502 11.100 -12.012 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.761 9.492 -11.365 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.946 9.706 -9.930 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.036 10.755 -8.512 1.00 0.00 H new ATOM 857 N SER A 69 7.669 12.670 -14.135 1.00 0.00 N ATOM 858 CA SER A 69 7.098 12.564 -15.451 1.00 0.00 C ATOM 859 C SER A 69 8.149 12.854 -16.498 1.00 0.00 C ATOM 860 O SER A 69 8.146 12.270 -17.578 1.00 0.00 O ATOM 861 CB SER A 69 5.938 13.547 -15.594 1.00 0.00 C ATOM 862 OG SER A 69 5.019 13.418 -14.516 1.00 0.00 O ATOM 0 H SER A 69 7.430 13.529 -13.640 1.00 0.00 H new ATOM 0 HA SER A 69 6.727 11.549 -15.595 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.323 14.566 -15.627 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.422 13.370 -16.538 1.00 0.00 H new ATOM 0 HG SER A 69 5.236 14.074 -13.821 1.00 0.00 H new ATOM 868 N CYS A 70 9.064 13.744 -16.169 1.00 0.00 N ATOM 869 CA CYS A 70 10.076 14.129 -17.110 1.00 0.00 C ATOM 870 C CYS A 70 11.495 13.839 -16.611 1.00 0.00 C ATOM 871 O CYS A 70 12.435 13.803 -17.408 1.00 0.00 O ATOM 872 CB CYS A 70 9.902 15.586 -17.476 1.00 0.00 C ATOM 873 SG CYS A 70 9.864 16.700 -16.067 1.00 0.00 S ATOM 0 H CYS A 70 9.121 14.207 -15.262 1.00 0.00 H new ATOM 0 HA CYS A 70 9.948 13.518 -18.004 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.716 15.883 -18.137 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.976 15.699 -18.040 1.00 0.00 H new ATOM 878 N SER A 71 11.659 13.639 -15.294 1.00 0.00 N ATOM 879 CA SER A 71 12.974 13.284 -14.747 1.00 0.00 C ATOM 880 C SER A 71 13.503 11.997 -15.381 1.00 0.00 C ATOM 881 O SER A 71 12.724 11.128 -15.784 1.00 0.00 O ATOM 882 CB SER A 71 12.925 13.139 -13.229 1.00 0.00 C ATOM 883 OG SER A 71 12.811 14.401 -12.602 1.00 0.00 O ATOM 0 H SER A 71 10.913 13.715 -14.602 1.00 0.00 H new ATOM 0 HA SER A 71 13.656 14.098 -14.990 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.079 12.512 -12.947 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.826 12.635 -12.879 1.00 0.00 H new ATOM 0 HG SER A 71 11.872 14.573 -12.382 1.00 0.00 H new ATOM 889 N THR A 72 14.820 11.883 -15.461 1.00 0.00 N ATOM 890 CA THR A 72 15.457 10.744 -16.103 1.00 0.00 C ATOM 891 C THR A 72 15.134 9.426 -15.391 1.00 0.00 C ATOM 892 O THR A 72 14.750 9.411 -14.209 1.00 0.00 O ATOM 893 CB THR A 72 16.996 10.941 -16.218 1.00 0.00 C ATOM 894 OG1 THR A 72 17.531 10.067 -17.221 1.00 0.00 O ATOM 895 CG2 THR A 72 17.690 10.663 -14.887 1.00 0.00 C ATOM 0 H THR A 72 15.473 12.571 -15.086 1.00 0.00 H new ATOM 0 HA THR A 72 15.045 10.684 -17.110 1.00 0.00 H new ATOM 0 HB THR A 72 17.179 11.979 -16.496 1.00 0.00 H new ATOM 0 HG1 THR A 72 18.500 10.199 -17.287 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.764 10.809 -14.999 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.308 11.346 -14.128 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.493 9.635 -14.582 1.00 0.00 H new ATOM 903 N ALA A 73 15.276 8.330 -16.134 1.00 0.00 N ATOM 904 CA ALA A 73 14.994 6.998 -15.638 1.00 0.00 C ATOM 905 C ALA A 73 15.781 6.693 -14.377 1.00 0.00 C ATOM 906 O ALA A 73 17.010 6.737 -14.364 1.00 0.00 O ATOM 907 CB ALA A 73 15.283 5.959 -16.712 1.00 0.00 C ATOM 0 H ALA A 73 15.593 8.349 -17.103 1.00 0.00 H new ATOM 0 HA ALA A 73 13.935 6.956 -15.384 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.066 4.964 -16.323 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.657 6.153 -17.583 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.333 6.015 -17.000 1.00 0.00 H new ATOM 913 N CYS A 74 15.058 6.416 -13.323 1.00 0.00 N ATOM 914 CA CYS A 74 15.648 6.080 -12.041 1.00 0.00 C ATOM 915 C CYS A 74 16.373 4.740 -12.126 1.00 0.00 C ATOM 916 O CYS A 74 15.936 3.829 -12.841 1.00 0.00 O ATOM 917 CB CYS A 74 14.551 6.017 -10.974 1.00 0.00 C ATOM 918 SG CYS A 74 15.071 6.496 -9.321 1.00 0.00 S ATOM 0 H CYS A 74 14.038 6.416 -13.324 1.00 0.00 H new ATOM 0 HA CYS A 74 16.372 6.848 -11.770 1.00 0.00 H new ATOM 0 HB2 CYS A 74 13.729 6.663 -11.281 1.00 0.00 H new ATOM 0 HB3 CYS A 74 14.160 5.000 -10.935 1.00 0.00 H new ATOM 923 N LYS A 75 17.477 4.620 -11.408 1.00 0.00 N ATOM 924 CA LYS A 75 18.242 3.378 -11.402 1.00 0.00 C ATOM 925 C LYS A 75 17.632 2.373 -10.455 1.00 0.00 C ATOM 926 O LYS A 75 17.963 1.187 -10.493 1.00 0.00 O ATOM 927 CB LYS A 75 19.701 3.621 -11.036 1.00 0.00 C ATOM 928 CG LYS A 75 20.550 4.139 -12.183 1.00 0.00 C ATOM 929 CD LYS A 75 20.677 3.111 -13.307 1.00 0.00 C ATOM 930 CE LYS A 75 21.695 3.564 -14.335 1.00 0.00 C ATOM 931 NZ LYS A 75 23.049 3.702 -13.739 1.00 0.00 N ATOM 0 H LYS A 75 17.864 5.361 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 75 18.208 2.974 -12.414 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.744 4.336 -10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.133 2.689 -10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.109 5.055 -12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.542 4.397 -11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.975 2.147 -12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 75 19.709 2.967 -13.786 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.729 2.847 -15.155 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.384 4.519 -14.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.766 3.660 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.119 4.614 -13.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 23.211 2.929 -13.063 1.00 0.00 H new ATOM 945 N CYS A 76 16.749 2.845 -9.599 1.00 0.00 N ATOM 946 CA CYS A 76 16.074 1.976 -8.676 1.00 0.00 C ATOM 947 C CYS A 76 15.152 1.029 -9.424 1.00 0.00 C ATOM 948 O CYS A 76 14.433 1.443 -10.340 1.00 0.00 O ATOM 949 CB CYS A 76 15.293 2.784 -7.647 1.00 0.00 C ATOM 950 SG CYS A 76 16.318 3.853 -6.622 1.00 0.00 S ATOM 0 H CYS A 76 16.486 3.828 -9.528 1.00 0.00 H new ATOM 0 HA CYS A 76 16.822 1.387 -8.146 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.554 3.395 -8.165 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.744 2.098 -7.002 1.00 0.00 H new ATOM 955 N ALA A 77 15.179 -0.233 -9.032 1.00 0.00 N ATOM 956 CA ALA A 77 14.393 -1.272 -9.676 1.00 0.00 C ATOM 957 C ALA A 77 14.567 -2.573 -8.932 1.00 0.00 C ATOM 958 O ALA A 77 15.576 -2.765 -8.261 1.00 0.00 O ATOM 959 CB ALA A 77 14.838 -1.454 -11.118 1.00 0.00 C ATOM 0 H ALA A 77 15.749 -0.568 -8.255 1.00 0.00 H new ATOM 0 HA ALA A 77 13.344 -0.977 -9.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.240 -2.235 -11.587 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.703 -0.519 -11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.890 -1.739 -11.141 1.00 0.00 H new ATOM 965 N ALA A 78 13.577 -3.452 -9.038 1.00 0.00 N ATOM 966 CA ALA A 78 13.620 -4.773 -8.404 1.00 0.00 C ATOM 967 C ALA A 78 13.947 -4.677 -6.914 1.00 0.00 C ATOM 968 O ALA A 78 14.725 -5.471 -6.386 1.00 0.00 O ATOM 969 CB ALA A 78 14.626 -5.665 -9.122 1.00 0.00 C ATOM 0 H ALA A 78 12.721 -3.274 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 78 12.628 -5.218 -8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.651 -6.644 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.332 -5.778 -10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.616 -5.211 -9.071 1.00 0.00 H new ATOM 975 N GLY A 79 13.338 -3.710 -6.246 1.00 0.00 N ATOM 976 CA GLY A 79 13.570 -3.519 -4.829 1.00 0.00 C ATOM 977 C GLY A 79 14.966 -3.013 -4.526 1.00 0.00 C ATOM 978 O GLY A 79 15.609 -3.482 -3.588 1.00 0.00 O ATOM 0 H GLY A 79 12.682 -3.049 -6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.839 -2.811 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.410 -4.463 -4.309 1.00 0.00 H new ATOM 982 N SER A 80 15.438 -2.058 -5.311 1.00 0.00 N ATOM 983 CA SER A 80 16.770 -1.521 -5.118 1.00 0.00 C ATOM 984 C SER A 80 16.747 0.002 -5.019 1.00 0.00 C ATOM 985 O SER A 80 17.268 0.696 -5.886 1.00 0.00 O ATOM 986 CB SER A 80 17.685 -1.953 -6.258 1.00 0.00 C ATOM 987 OG SER A 80 19.056 -1.867 -5.891 1.00 0.00 O ATOM 0 H SER A 80 14.919 -1.642 -6.084 1.00 0.00 H new ATOM 0 HA SER A 80 17.155 -1.917 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.449 -2.977 -6.547 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.501 -1.326 -7.130 1.00 0.00 H new ATOM 0 HG SER A 80 19.615 -2.152 -6.644 1.00 0.00 H new ATOM 993 N CYS A 81 16.111 0.508 -3.992 1.00 0.00 N ATOM 994 CA CYS A 81 16.099 1.934 -3.732 1.00 0.00 C ATOM 995 C CYS A 81 17.279 2.294 -2.835 1.00 0.00 C ATOM 996 O CYS A 81 17.750 1.462 -2.060 1.00 0.00 O ATOM 997 CB CYS A 81 14.787 2.349 -3.070 1.00 0.00 C ATOM 998 SG CYS A 81 14.723 4.089 -2.558 1.00 0.00 S ATOM 0 H CYS A 81 15.589 -0.048 -3.315 1.00 0.00 H new ATOM 0 HA CYS A 81 16.186 2.469 -4.678 1.00 0.00 H new ATOM 0 HB2 CYS A 81 13.968 2.156 -3.763 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.620 1.719 -2.196 1.00 0.00 H new ATOM 1003 N LYS A 82 17.774 3.513 -2.954 1.00 0.00 N ATOM 1004 CA LYS A 82 18.913 3.942 -2.146 1.00 0.00 C ATOM 1005 C LYS A 82 18.548 5.128 -1.283 1.00 0.00 C ATOM 1006 O LYS A 82 19.353 5.608 -0.490 1.00 0.00 O ATOM 1007 CB LYS A 82 20.087 4.294 -3.039 1.00 0.00 C ATOM 1008 CG LYS A 82 20.234 3.354 -4.201 1.00 0.00 C ATOM 1009 CD LYS A 82 21.554 3.531 -4.896 1.00 0.00 C ATOM 1010 CE LYS A 82 21.642 2.655 -6.135 1.00 0.00 C ATOM 1011 NZ LYS A 82 21.484 1.215 -5.810 1.00 0.00 N ATOM 0 H LYS A 82 17.413 4.221 -3.594 1.00 0.00 H new ATOM 0 HA LYS A 82 19.195 3.116 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.962 5.310 -3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.003 4.282 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.142 2.326 -3.851 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.424 3.523 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.684 4.576 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.365 3.281 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.871 2.953 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.604 2.813 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.750 0.642 -6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.098 0.971 -5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.493 1.022 -5.559 1.00 0.00 H new ATOM 1025 N CYS A 83 17.343 5.600 -1.449 1.00 0.00 N ATOM 1026 CA CYS A 83 16.866 6.727 -0.685 1.00 0.00 C ATOM 1027 C CYS A 83 16.133 6.257 0.568 1.00 0.00 C ATOM 1028 O CYS A 83 16.323 6.802 1.657 1.00 0.00 O ATOM 1029 CB CYS A 83 15.952 7.595 -1.544 1.00 0.00 C ATOM 1030 SG CYS A 83 15.139 8.921 -0.643 1.00 0.00 S ATOM 0 H CYS A 83 16.666 5.220 -2.111 1.00 0.00 H new ATOM 0 HA CYS A 83 17.724 7.323 -0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 83 16.537 8.027 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 83 15.192 6.962 -2.001 1.00 0.00 H new ATOM 1035 N GLY A 84 15.315 5.228 0.414 1.00 0.00 N ATOM 1036 CA GLY A 84 14.553 4.718 1.535 1.00 0.00 C ATOM 1037 C GLY A 84 13.067 4.823 1.299 1.00 0.00 C ATOM 1038 O GLY A 84 12.266 4.286 2.061 1.00 0.00 O ATOM 0 H GLY A 84 15.165 4.736 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.820 3.676 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.818 5.272 2.436 1.00 0.00 H new ATOM 1042 N LYS A 85 12.695 5.520 0.237 1.00 0.00 N ATOM 1043 CA LYS A 85 11.293 5.679 -0.117 1.00 0.00 C ATOM 1044 C LYS A 85 10.741 4.382 -0.689 1.00 0.00 C ATOM 1045 O LYS A 85 9.555 4.083 -0.547 1.00 0.00 O ATOM 1046 CB LYS A 85 11.115 6.816 -1.124 1.00 0.00 C ATOM 1047 CG LYS A 85 11.620 8.169 -0.634 1.00 0.00 C ATOM 1048 CD LYS A 85 10.877 8.648 0.618 1.00 0.00 C ATOM 1049 CE LYS A 85 9.403 8.913 0.329 1.00 0.00 C ATOM 1050 NZ LYS A 85 8.682 9.389 1.534 1.00 0.00 N ATOM 0 H LYS A 85 13.345 5.985 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 85 10.739 5.929 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.639 6.557 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.057 6.904 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.686 8.100 -0.417 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.504 8.907 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.965 7.898 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.344 9.559 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.316 9.656 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.935 8.000 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.684 9.558 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.743 8.669 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.113 10.274 1.869 1.00 0.00 H new ATOM 1064 N GLY A 86 11.612 3.610 -1.324 1.00 0.00 N ATOM 1065 CA GLY A 86 11.206 2.346 -1.896 1.00 0.00 C ATOM 1066 C GLY A 86 10.358 2.523 -3.126 1.00 0.00 C ATOM 1067 O GLY A 86 9.336 1.870 -3.279 1.00 0.00 O ATOM 0 H GLY A 86 12.597 3.840 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.091 1.763 -2.149 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.650 1.775 -1.153 1.00 0.00 H new ATOM 1071 N CYS A 87 10.779 3.407 -4.003 1.00 0.00 N ATOM 1072 CA CYS A 87 10.037 3.677 -5.228 1.00 0.00 C ATOM 1073 C CYS A 87 10.276 2.573 -6.251 1.00 0.00 C ATOM 1074 O CYS A 87 9.374 2.205 -7.012 1.00 0.00 O ATOM 1075 CB CYS A 87 10.462 5.016 -5.795 1.00 0.00 C ATOM 1076 SG CYS A 87 12.237 5.156 -6.035 1.00 0.00 S ATOM 0 H CYS A 87 11.632 3.955 -3.896 1.00 0.00 H new ATOM 0 HA CYS A 87 8.972 3.706 -4.997 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.960 5.174 -6.749 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.130 5.809 -5.125 1.00 0.00 H new ATOM 1081 N THR A 88 11.510 2.054 -6.253 1.00 0.00 N ATOM 1082 CA THR A 88 11.943 0.963 -7.136 1.00 0.00 C ATOM 1083 C THR A 88 11.686 1.273 -8.612 1.00 0.00 C ATOM 1084 O THR A 88 11.422 0.376 -9.412 1.00 0.00 O ATOM 1085 CB THR A 88 11.296 -0.397 -6.747 1.00 0.00 C ATOM 1086 OG1 THR A 88 9.872 -0.358 -6.912 1.00 0.00 O ATOM 1087 CG2 THR A 88 11.618 -0.739 -5.301 1.00 0.00 C ATOM 0 H THR A 88 12.248 2.385 -5.631 1.00 0.00 H new ATOM 0 HA THR A 88 13.021 0.876 -6.997 1.00 0.00 H new ATOM 0 HB THR A 88 11.708 -1.160 -7.408 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.616 0.482 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.159 -1.693 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 88 12.698 -0.810 -5.176 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.228 0.041 -4.647 1.00 0.00 H new ATOM 1095 N GLY A 89 11.806 2.539 -8.968 1.00 0.00 N ATOM 1096 CA GLY A 89 11.585 2.946 -10.335 1.00 0.00 C ATOM 1097 C GLY A 89 11.025 4.345 -10.428 1.00 0.00 C ATOM 1098 O GLY A 89 10.358 4.806 -9.500 1.00 0.00 O ATOM 0 H GLY A 89 12.054 3.296 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.525 2.895 -10.884 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.898 2.248 -10.814 1.00 0.00 H new ATOM 1102 N PRO A 90 11.272 5.053 -11.550 1.00 0.00 N ATOM 1103 CA PRO A 90 10.785 6.426 -11.756 1.00 0.00 C ATOM 1104 C PRO A 90 9.260 6.524 -11.687 1.00 0.00 C ATOM 1105 O PRO A 90 8.716 7.575 -11.372 1.00 0.00 O ATOM 1106 CB PRO A 90 11.278 6.777 -13.171 1.00 0.00 C ATOM 1107 CG PRO A 90 11.577 5.463 -13.810 1.00 0.00 C ATOM 1108 CD PRO A 90 12.051 4.572 -12.703 1.00 0.00 C ATOM 0 HA PRO A 90 11.149 7.102 -10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.519 7.324 -13.730 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.165 7.410 -13.135 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.690 5.051 -14.292 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.339 5.568 -14.582 1.00 0.00 H new ATOM 0 HD2 PRO A 90 11.854 3.521 -12.916 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.124 4.668 -12.536 1.00 0.00 H new ATOM 1116 N ASP A 91 8.588 5.409 -11.955 1.00 0.00 N ATOM 1117 CA ASP A 91 7.122 5.354 -11.950 1.00 0.00 C ATOM 1118 C ASP A 91 6.550 5.677 -10.571 1.00 0.00 C ATOM 1119 O ASP A 91 5.479 6.260 -10.456 1.00 0.00 O ATOM 1120 CB ASP A 91 6.634 3.971 -12.396 1.00 0.00 C ATOM 1121 CG ASP A 91 7.116 2.863 -11.484 1.00 0.00 C ATOM 1122 OD1 ASP A 91 8.204 2.319 -11.738 1.00 0.00 O ATOM 1123 OD2 ASP A 91 6.418 2.542 -10.497 1.00 0.00 O ATOM 0 H ASP A 91 9.036 4.521 -12.181 1.00 0.00 H new ATOM 0 HA ASP A 91 6.768 6.108 -12.653 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.544 3.966 -12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.980 3.777 -13.411 1.00 0.00 H new ATOM 1128 N SER A 92 7.268 5.301 -9.530 1.00 0.00 N ATOM 1129 CA SER A 92 6.806 5.541 -8.173 1.00 0.00 C ATOM 1130 C SER A 92 7.732 6.501 -7.443 1.00 0.00 C ATOM 1131 O SER A 92 7.579 6.742 -6.241 1.00 0.00 O ATOM 1132 CB SER A 92 6.699 4.224 -7.410 1.00 0.00 C ATOM 1133 OG SER A 92 5.803 3.332 -8.060 1.00 0.00 O ATOM 0 H SER A 92 8.170 4.830 -9.595 1.00 0.00 H new ATOM 0 HA SER A 92 5.818 5.999 -8.227 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.684 3.763 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.355 4.415 -6.394 1.00 0.00 H new ATOM 0 HG SER A 92 6.144 3.119 -8.954 1.00 0.00 H new ATOM 1139 N CYS A 93 8.680 7.055 -8.173 1.00 0.00 N ATOM 1140 CA CYS A 93 9.639 7.975 -7.600 1.00 0.00 C ATOM 1141 C CYS A 93 9.022 9.341 -7.393 1.00 0.00 C ATOM 1142 O CYS A 93 9.007 10.164 -8.295 1.00 0.00 O ATOM 1143 CB CYS A 93 10.880 8.088 -8.490 1.00 0.00 C ATOM 1144 SG CYS A 93 12.091 9.321 -7.943 1.00 0.00 S ATOM 0 H CYS A 93 8.806 6.882 -9.170 1.00 0.00 H new ATOM 0 HA CYS A 93 9.939 7.581 -6.629 1.00 0.00 H new ATOM 0 HB2 CYS A 93 11.368 7.114 -8.536 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.563 8.334 -9.503 1.00 0.00 H new ATOM 1149 N LYS A 94 8.500 9.570 -6.203 1.00 0.00 N ATOM 1150 CA LYS A 94 7.919 10.859 -5.855 1.00 0.00 C ATOM 1151 C LYS A 94 9.006 11.805 -5.349 1.00 0.00 C ATOM 1152 O LYS A 94 8.735 12.763 -4.621 1.00 0.00 O ATOM 1153 CB LYS A 94 6.808 10.692 -4.803 1.00 0.00 C ATOM 1154 CG LYS A 94 5.520 10.078 -5.354 1.00 0.00 C ATOM 1155 CD LYS A 94 4.418 10.013 -4.292 1.00 0.00 C ATOM 1156 CE LYS A 94 4.678 8.918 -3.271 1.00 0.00 C ATOM 1157 NZ LYS A 94 4.618 7.565 -3.882 1.00 0.00 N ATOM 0 H LYS A 94 8.465 8.878 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 94 7.470 11.291 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.180 10.065 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.579 11.667 -4.373 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.172 10.666 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.726 9.074 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.347 10.974 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.457 9.837 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.658 9.069 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.943 8.987 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.494 6.852 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.816 7.517 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.502 7.377 -4.397 1.00 0.00 H new ATOM 1171 N CYS A 95 10.232 11.527 -5.759 1.00 0.00 N ATOM 1172 CA CYS A 95 11.382 12.308 -5.375 1.00 0.00 C ATOM 1173 C CYS A 95 11.873 13.133 -6.552 1.00 0.00 C ATOM 1174 O CYS A 95 11.311 13.064 -7.653 1.00 0.00 O ATOM 1175 CB CYS A 95 12.490 11.384 -4.894 1.00 0.00 C ATOM 1176 SG CYS A 95 11.950 10.190 -3.659 1.00 0.00 S ATOM 0 H CYS A 95 10.453 10.744 -6.374 1.00 0.00 H new ATOM 0 HA CYS A 95 11.099 12.983 -4.567 1.00 0.00 H new ATOM 0 HB2 CYS A 95 12.901 10.848 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 95 13.297 11.986 -4.477 1.00 0.00 H new ATOM 1181 N ASP A 96 12.926 13.893 -6.335 1.00 0.00 N ATOM 1182 CA ASP A 96 13.462 14.738 -7.377 1.00 0.00 C ATOM 1183 C ASP A 96 14.482 14.010 -8.225 1.00 0.00 C ATOM 1184 O ASP A 96 14.758 12.816 -8.027 1.00 0.00 O ATOM 1185 CB ASP A 96 14.053 16.027 -6.800 1.00 0.00 C ATOM 1186 CG ASP A 96 15.278 15.791 -5.967 1.00 0.00 C ATOM 1187 OD1 ASP A 96 15.140 15.319 -4.826 1.00 0.00 O ATOM 1188 OD2 ASP A 96 16.382 16.095 -6.444 1.00 0.00 O ATOM 0 H ASP A 96 13.426 13.942 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 96 12.630 15.009 -8.027 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.302 16.704 -7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.298 16.526 -6.192 1.00 0.00 H new ATOM 1193 N ARG A 97 15.035 14.719 -9.181 1.00 0.00 N ATOM 1194 CA ARG A 97 15.968 14.135 -10.111 1.00 0.00 C ATOM 1195 C ARG A 97 17.385 14.101 -9.549 1.00 0.00 C ATOM 1196 O ARG A 97 18.231 13.355 -10.030 1.00 0.00 O ATOM 1197 CB ARG A 97 15.943 14.884 -11.439 1.00 0.00 C ATOM 1198 CG ARG A 97 16.523 16.282 -11.374 1.00 0.00 C ATOM 1199 CD ARG A 97 16.399 16.982 -12.708 1.00 0.00 C ATOM 1200 NE ARG A 97 17.561 17.816 -13.004 1.00 0.00 N ATOM 1201 CZ ARG A 97 17.809 18.356 -14.202 1.00 0.00 C ATOM 1202 NH1 ARG A 97 16.936 18.207 -15.197 1.00 0.00 N ATOM 1203 NH2 ARG A 97 18.927 19.043 -14.402 1.00 0.00 N ATOM 0 H ARG A 97 14.851 15.711 -9.334 1.00 0.00 H new ATOM 0 HA ARG A 97 15.655 13.105 -10.280 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.497 14.307 -12.179 1.00 0.00 H new ATOM 0 HB3 ARG A 97 14.913 14.946 -11.789 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.006 16.859 -10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 97 17.572 16.231 -11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.277 16.239 -13.496 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.501 17.599 -12.710 1.00 0.00 H new ATOM 0 HE ARG A 97 18.224 17.998 -12.251 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.076 17.680 -15.046 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.128 18.620 -16.110 1.00 0.00 H new ATOM 0 HH21 ARG A 97 19.597 19.159 -13.642 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.116 19.455 -15.316 1.00 0.00 H new ATOM 1217 N SER A 98 17.627 14.884 -8.524 1.00 0.00 N ATOM 1218 CA SER A 98 18.939 14.971 -7.926 1.00 0.00 C ATOM 1219 C SER A 98 18.928 14.312 -6.546 1.00 0.00 C ATOM 1220 O SER A 98 19.775 14.602 -5.694 1.00 0.00 O ATOM 1221 CB SER A 98 19.357 16.448 -7.824 1.00 0.00 C ATOM 1222 OG SER A 98 20.699 16.580 -7.387 1.00 0.00 O ATOM 0 H SER A 98 16.924 15.476 -8.083 1.00 0.00 H new ATOM 0 HA SER A 98 19.662 14.444 -8.549 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.241 16.928 -8.796 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.695 16.967 -7.131 1.00 0.00 H new ATOM 0 HG SER A 98 20.844 16.013 -6.601 1.00 0.00 H new ATOM 1228 N CYS A 99 17.978 13.401 -6.345 1.00 0.00 N ATOM 1229 CA CYS A 99 17.829 12.726 -5.069 1.00 0.00 C ATOM 1230 C CYS A 99 18.894 11.636 -4.918 1.00 0.00 C ATOM 1231 O CYS A 99 19.633 11.344 -5.864 1.00 0.00 O ATOM 1232 CB CYS A 99 16.414 12.143 -4.938 1.00 0.00 C ATOM 1233 SG CYS A 99 15.700 12.280 -3.275 1.00 0.00 S ATOM 0 H CYS A 99 17.302 13.117 -7.054 1.00 0.00 H new ATOM 0 HA CYS A 99 17.971 13.449 -4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 99 15.758 12.650 -5.645 1.00 0.00 H new ATOM 0 HB3 CYS A 99 16.439 11.092 -5.224 1.00 0.00 H new ATOM 1238 N SER A 100 18.959 11.032 -3.736 1.00 0.00 N ATOM 1239 CA SER A 100 19.981 10.031 -3.426 1.00 0.00 C ATOM 1240 C SER A 100 19.860 8.783 -4.309 1.00 0.00 C ATOM 1241 O SER A 100 20.863 8.184 -4.693 1.00 0.00 O ATOM 1242 CB SER A 100 19.909 9.645 -1.940 1.00 0.00 C ATOM 1243 OG SER A 100 20.927 8.720 -1.591 1.00 0.00 O ATOM 0 H SER A 100 18.312 11.218 -2.970 1.00 0.00 H new ATOM 0 HA SER A 100 20.952 10.480 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.004 10.540 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.933 9.212 -1.723 1.00 0.00 H new ATOM 0 HG SER A 100 20.854 8.497 -0.640 1.00 0.00 H new ATOM 1249 N CYS A 101 18.644 8.410 -4.634 1.00 0.00 N ATOM 1250 CA CYS A 101 18.398 7.217 -5.421 1.00 0.00 C ATOM 1251 C CYS A 101 18.491 7.495 -6.918 1.00 0.00 C ATOM 1252 O CYS A 101 19.011 6.678 -7.680 1.00 0.00 O ATOM 1253 CB CYS A 101 17.028 6.676 -5.075 1.00 0.00 C ATOM 1254 SG CYS A 101 15.749 7.948 -5.025 1.00 0.00 S ATOM 0 H CYS A 101 17.802 8.918 -4.365 1.00 0.00 H new ATOM 0 HA CYS A 101 19.166 6.481 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 101 16.749 5.919 -5.807 1.00 0.00 H new ATOM 0 HB3 CYS A 101 17.075 6.180 -4.106 1.00 0.00 H new ATOM 1259 N LYS A 102 17.995 8.652 -7.327 1.00 0.00 N ATOM 1260 CA LYS A 102 17.978 9.031 -8.711 1.00 0.00 C ATOM 1261 C LYS A 102 19.360 9.518 -9.161 1.00 0.00 C ATOM 1262 O LYS A 102 20.143 8.684 -9.680 1.00 0.00 O ATOM 1263 CB LYS A 102 16.947 10.130 -8.896 1.00 0.00 C ATOM 1264 CG LYS A 102 16.683 10.499 -10.332 1.00 0.00 C ATOM 1265 CD LYS A 102 15.733 9.525 -11.031 1.00 0.00 C ATOM 1266 CE LYS A 102 14.384 9.438 -10.323 1.00 0.00 C ATOM 1267 NZ LYS A 102 13.831 10.773 -9.939 1.00 0.00 N ATOM 0 H LYS A 102 17.595 9.349 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 102 17.717 8.166 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.010 9.814 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.281 11.019 -8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 102 16.260 11.503 -10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.628 10.529 -10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.582 9.843 -12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.189 8.536 -11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.672 8.931 -10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.490 8.825 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.932 10.644 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.508 11.265 -9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.668 11.341 -10.795 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 13.743 7.356 -7.217 1.00 0.00 CD HETATM 1283 CD CD A 202 14.727 5.123 -4.926 1.00 0.00 CD HETATM 1284 CD CD A 203 14.613 9.822 -3.162 1.00 0.00 CD HETATM 1285 CD CD A 204 7.342 17.347 -15.176 1.00 0.00 CD HETATM 1286 CD CD A 205 9.797 20.293 -13.305 1.00 0.00 CD HETATM 1287 CD CD A 206 10.929 19.024 -17.093 1.00 0.00 CD HETATM 1288 CD CD A 207 8.784 25.402 4.086 1.00 0.00 CD HETATM 1289 CD CD A 208 6.593 27.125 1.408 1.00 0.00 CD HETATM 1290 CD CD A 209 7.834 23.366 0.571 1.00 0.00 CD