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 71 SER OG : rot 150:sc= 0.281 USER MOD Set 1.2: A 102 LYS NZ :NH3+ -150:sc= 0.748 (180deg=0.173) USER MOD Set 2.1: A 45 THR OG1 : rot 150:sc= -0.162 USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 60 ASN : amide:sc= -1.04 K(o=-1.2,f=-0.5) USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.047) 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 180:sc= -0.0405 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -150:sc= 0.0314 USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00785) USER MOD Single : A 17 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.6!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.551 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -35:sc= 0.599 USER MOD Single : A 28 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.3) USER MOD Single : A 30 THR OG1 : rot 180:sc=9.99e-05 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= -0.0409 (180deg=-0.27) USER MOD Single : A 36 GLN : amide:sc=-0.00994 X(o=-0.0099,f=0.045) USER MOD Single : A 37 SER OG : rot 170:sc= 0.355 USER MOD Single : A 39 LYS NZ :NH3+ -160:sc= 2.09 (180deg=0.666) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.806 K(o=-0.81,f=-1.8) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -35:sc= 0.426 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.96 K(o=-3,f=-0.12) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0409) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= 1.43 (180deg=1.41) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0.881 (180deg=0.825) USER MOD Single : A 88 THR OG1 : rot 2:sc= 1.09 USER MOD Single : A 92 SER OG : rot -46:sc= 0.28 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc=-0.00692 (180deg=-0.16) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 130:sc= -0.0899 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.740 11.874 6.496 1.00 0.00 N ATOM 2 CA GLY A 1 25.396 13.168 5.828 1.00 0.00 C ATOM 3 C GLY A 1 25.092 12.994 4.350 1.00 0.00 C ATOM 4 O GLY A 1 25.453 13.835 3.527 1.00 0.00 O ATOM 0 H1 GLY A 1 26.037 12.057 7.476 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.907 11.252 6.498 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.516 11.412 5.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.533 13.611 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.225 13.866 5.946 1.00 0.00 H new ATOM 7 N SER A 2 24.422 11.905 4.013 1.00 0.00 N ATOM 8 CA SER A 2 24.079 11.616 2.633 1.00 0.00 C ATOM 9 C SER A 2 22.958 12.535 2.162 1.00 0.00 C ATOM 10 O SER A 2 22.895 12.909 0.989 1.00 0.00 O ATOM 11 CB SER A 2 23.663 10.149 2.487 1.00 0.00 C ATOM 12 OG SER A 2 23.441 9.801 1.130 1.00 0.00 O ATOM 0 H SER A 2 24.104 11.203 4.681 1.00 0.00 H new ATOM 0 HA SER A 2 24.956 11.793 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.438 9.507 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.755 9.969 3.062 1.00 0.00 H new ATOM 0 HG SER A 2 23.179 8.858 1.073 1.00 0.00 H new ATOM 18 N MET A 3 22.078 12.898 3.079 1.00 0.00 N ATOM 19 CA MET A 3 20.973 13.777 2.763 1.00 0.00 C ATOM 20 C MET A 3 20.643 14.667 3.948 1.00 0.00 C ATOM 21 O MET A 3 20.854 14.287 5.104 1.00 0.00 O ATOM 22 CB MET A 3 19.724 12.979 2.336 1.00 0.00 C ATOM 23 CG MET A 3 19.070 12.151 3.445 1.00 0.00 C ATOM 24 SD MET A 3 20.103 10.791 4.027 1.00 0.00 S ATOM 25 CE MET A 3 19.001 10.015 5.206 1.00 0.00 C ATOM 0 H MET A 3 22.111 12.594 4.052 1.00 0.00 H new ATOM 0 HA MET A 3 21.279 14.403 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 3 18.985 13.676 1.941 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.001 12.311 1.520 1.00 0.00 H new ATOM 0 HG2 MET A 3 18.835 12.804 4.285 1.00 0.00 H new ATOM 0 HG3 MET A 3 18.125 11.749 3.079 1.00 0.00 H new ATOM 0 HE1 MET A 3 19.496 9.154 5.654 1.00 0.00 H new ATOM 0 HE2 MET A 3 18.740 10.730 5.986 1.00 0.00 H new ATOM 0 HE3 MET A 3 18.095 9.688 4.696 1.00 0.00 H new ATOM 35 N SER A 4 20.139 15.842 3.661 1.00 0.00 N ATOM 36 CA SER A 4 19.766 16.786 4.685 1.00 0.00 C ATOM 37 C SER A 4 18.277 16.665 4.979 1.00 0.00 C ATOM 38 O SER A 4 17.534 16.059 4.202 1.00 0.00 O ATOM 39 CB SER A 4 20.111 18.214 4.229 1.00 0.00 C ATOM 40 OG SER A 4 19.754 19.181 5.209 1.00 0.00 O ATOM 0 H SER A 4 19.976 16.171 2.709 1.00 0.00 H new ATOM 0 HA SER A 4 20.321 16.568 5.597 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.179 18.282 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 4 19.592 18.433 3.296 1.00 0.00 H new ATOM 0 HG SER A 4 19.989 20.076 4.886 1.00 0.00 H new ATOM 46 N SER A 5 17.849 17.217 6.102 1.00 0.00 N ATOM 47 CA SER A 5 16.449 17.211 6.454 1.00 0.00 C ATOM 48 C SER A 5 15.688 18.110 5.492 1.00 0.00 C ATOM 49 O SER A 5 16.119 19.233 5.215 1.00 0.00 O ATOM 50 CB SER A 5 16.269 17.683 7.892 1.00 0.00 C ATOM 51 OG SER A 5 17.063 16.903 8.776 1.00 0.00 O ATOM 0 H SER A 5 18.456 17.674 6.783 1.00 0.00 H new ATOM 0 HA SER A 5 16.055 16.197 6.379 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.549 18.733 7.974 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.219 17.610 8.176 1.00 0.00 H new ATOM 0 HG SER A 5 16.937 17.220 9.695 1.00 0.00 H new ATOM 57 N VAL A 6 14.581 17.613 4.968 1.00 0.00 N ATOM 58 CA VAL A 6 13.810 18.363 3.994 1.00 0.00 C ATOM 59 C VAL A 6 13.037 19.513 4.649 1.00 0.00 C ATOM 60 O VAL A 6 12.985 20.621 4.116 1.00 0.00 O ATOM 61 CB VAL A 6 12.848 17.444 3.181 1.00 0.00 C ATOM 62 CG1 VAL A 6 11.792 16.801 4.072 1.00 0.00 C ATOM 63 CG2 VAL A 6 12.202 18.212 2.041 1.00 0.00 C ATOM 0 H VAL A 6 14.198 16.697 5.200 1.00 0.00 H new ATOM 0 HA VAL A 6 14.525 18.795 3.294 1.00 0.00 H new ATOM 0 HB VAL A 6 13.447 16.639 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.142 16.169 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 6 12.280 16.195 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.198 17.579 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.535 17.550 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.631 19.049 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.976 18.589 1.372 1.00 0.00 H new ATOM 73 N PHE A 7 12.467 19.257 5.814 1.00 0.00 N ATOM 74 CA PHE A 7 11.707 20.271 6.508 1.00 0.00 C ATOM 75 C PHE A 7 12.618 21.150 7.346 1.00 0.00 C ATOM 76 O PHE A 7 13.638 20.693 7.880 1.00 0.00 O ATOM 77 CB PHE A 7 10.593 19.651 7.376 1.00 0.00 C ATOM 78 CG PHE A 7 11.074 18.664 8.410 1.00 0.00 C ATOM 79 CD1 PHE A 7 11.310 19.065 9.715 1.00 0.00 C ATOM 80 CD2 PHE A 7 11.282 17.334 8.074 1.00 0.00 C ATOM 81 CE1 PHE A 7 11.744 18.162 10.664 1.00 0.00 C ATOM 82 CE2 PHE A 7 11.718 16.428 9.019 1.00 0.00 C ATOM 83 CZ PHE A 7 11.949 16.840 10.315 1.00 0.00 C ATOM 0 H PHE A 7 12.518 18.358 6.294 1.00 0.00 H new ATOM 0 HA PHE A 7 11.227 20.895 5.754 1.00 0.00 H new ATOM 0 HB2 PHE A 7 10.056 20.454 7.882 1.00 0.00 H new ATOM 0 HB3 PHE A 7 9.878 19.152 6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 7 11.152 20.097 9.993 1.00 0.00 H new ATOM 0 HD2 PHE A 7 11.101 17.004 7.062 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.923 18.488 11.678 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.878 15.396 8.744 1.00 0.00 H new ATOM 0 HZ PHE A 7 12.289 16.131 11.056 1.00 0.00 H new ATOM 93 N GLY A 8 12.253 22.406 7.439 1.00 0.00 N ATOM 94 CA GLY A 8 13.007 23.351 8.207 1.00 0.00 C ATOM 95 C GLY A 8 12.627 23.342 9.665 1.00 0.00 C ATOM 96 O GLY A 8 12.512 22.283 10.288 1.00 0.00 O ATOM 0 H GLY A 8 11.427 22.795 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.070 23.128 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.853 24.351 7.801 1.00 0.00 H new ATOM 100 N ALA A 9 12.396 24.516 10.202 1.00 0.00 N ATOM 101 CA ALA A 9 12.068 24.663 11.603 1.00 0.00 C ATOM 102 C ALA A 9 10.690 25.261 11.755 1.00 0.00 C ATOM 103 O ALA A 9 10.207 25.481 12.865 1.00 0.00 O ATOM 104 CB ALA A 9 13.108 25.526 12.295 1.00 0.00 C ATOM 0 H ALA A 9 12.429 25.394 9.684 1.00 0.00 H new ATOM 0 HA ALA A 9 12.069 23.679 12.073 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.851 25.630 13.349 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.088 25.057 12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.132 26.511 11.829 1.00 0.00 H new ATOM 110 N GLY A 10 10.059 25.514 10.630 1.00 0.00 N ATOM 111 CA GLY A 10 8.746 26.090 10.631 1.00 0.00 C ATOM 112 C GLY A 10 8.074 25.927 9.297 1.00 0.00 C ATOM 113 O GLY A 10 7.708 26.909 8.656 1.00 0.00 O ATOM 0 H GLY A 10 10.441 25.327 9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.141 25.618 11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.812 27.149 10.880 1.00 0.00 H new ATOM 117 N CYS A 11 7.949 24.688 8.852 1.00 0.00 N ATOM 118 CA CYS A 11 7.282 24.414 7.603 1.00 0.00 C ATOM 119 C CYS A 11 5.788 24.367 7.798 1.00 0.00 C ATOM 120 O CYS A 11 5.302 24.179 8.917 1.00 0.00 O ATOM 121 CB CYS A 11 7.751 23.094 7.028 1.00 0.00 C ATOM 122 SG CYS A 11 9.506 23.032 6.708 1.00 0.00 S ATOM 0 H CYS A 11 8.301 23.863 9.339 1.00 0.00 H new ATOM 0 HA CYS A 11 7.529 25.218 6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.488 22.293 7.719 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.214 22.902 6.099 1.00 0.00 H new ATOM 127 N THR A 12 5.063 24.533 6.726 1.00 0.00 N ATOM 128 CA THR A 12 3.633 24.457 6.772 1.00 0.00 C ATOM 129 C THR A 12 3.194 23.007 6.726 1.00 0.00 C ATOM 130 O THR A 12 3.998 22.105 6.450 1.00 0.00 O ATOM 131 CB THR A 12 3.005 25.190 5.578 1.00 0.00 C ATOM 132 OG1 THR A 12 3.464 24.601 4.356 1.00 0.00 O ATOM 133 CG2 THR A 12 3.365 26.656 5.598 1.00 0.00 C ATOM 0 H THR A 12 5.447 24.724 5.801 1.00 0.00 H new ATOM 0 HA THR A 12 3.303 24.927 7.698 1.00 0.00 H new ATOM 0 HB THR A 12 1.921 25.098 5.648 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.482 25.282 3.651 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.909 27.154 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.998 27.108 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.448 26.765 5.546 1.00 0.00 H new ATOM 141 N ASP A 13 1.931 22.778 6.983 1.00 0.00 N ATOM 142 CA ASP A 13 1.374 21.448 6.873 1.00 0.00 C ATOM 143 C ASP A 13 1.112 21.157 5.414 1.00 0.00 C ATOM 144 O ASP A 13 0.815 20.032 5.019 1.00 0.00 O ATOM 145 CB ASP A 13 0.093 21.334 7.685 1.00 0.00 C ATOM 146 CG ASP A 13 0.341 21.492 9.165 1.00 0.00 C ATOM 147 OD1 ASP A 13 0.270 22.638 9.670 1.00 0.00 O ATOM 148 OD2 ASP A 13 0.619 20.476 9.832 1.00 0.00 O ATOM 0 H ASP A 13 1.265 23.495 7.271 1.00 0.00 H new ATOM 0 HA ASP A 13 2.079 20.719 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.614 22.094 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.369 20.365 7.497 1.00 0.00 H new ATOM 153 N VAL A 14 1.240 22.200 4.617 1.00 0.00 N ATOM 154 CA VAL A 14 1.068 22.128 3.191 1.00 0.00 C ATOM 155 C VAL A 14 2.378 21.671 2.543 1.00 0.00 C ATOM 156 O VAL A 14 2.389 21.135 1.434 1.00 0.00 O ATOM 157 CB VAL A 14 0.654 23.510 2.628 1.00 0.00 C ATOM 158 CG1 VAL A 14 0.270 23.411 1.172 1.00 0.00 C ATOM 159 CG2 VAL A 14 -0.489 24.099 3.439 1.00 0.00 C ATOM 0 H VAL A 14 1.471 23.134 4.955 1.00 0.00 H new ATOM 0 HA VAL A 14 0.280 21.411 2.963 1.00 0.00 H new ATOM 0 HB VAL A 14 1.515 24.174 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.016 24.396 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.118 23.040 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.570 22.725 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.765 25.070 3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.348 23.429 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.175 24.221 4.476 1.00 0.00 H new ATOM 169 N CYS A 15 3.479 21.862 3.268 1.00 0.00 N ATOM 170 CA CYS A 15 4.793 21.459 2.799 1.00 0.00 C ATOM 171 C CYS A 15 4.966 19.957 2.973 1.00 0.00 C ATOM 172 O CYS A 15 5.770 19.320 2.291 1.00 0.00 O ATOM 173 CB CYS A 15 5.875 22.214 3.575 1.00 0.00 C ATOM 174 SG CYS A 15 7.565 21.738 3.163 1.00 0.00 S ATOM 0 H CYS A 15 3.480 22.298 4.190 1.00 0.00 H new ATOM 0 HA CYS A 15 4.887 21.701 1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.757 23.282 3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.716 22.055 4.642 1.00 0.00 H new ATOM 179 N LYS A 16 4.179 19.386 3.882 1.00 0.00 N ATOM 180 CA LYS A 16 4.219 17.954 4.134 1.00 0.00 C ATOM 181 C LYS A 16 3.414 17.221 3.063 1.00 0.00 C ATOM 182 O LYS A 16 3.311 15.993 3.071 1.00 0.00 O ATOM 183 CB LYS A 16 3.678 17.631 5.535 1.00 0.00 C ATOM 184 CG LYS A 16 4.303 18.467 6.652 1.00 0.00 C ATOM 185 CD LYS A 16 5.806 18.207 6.816 1.00 0.00 C ATOM 186 CE LYS A 16 6.467 19.373 7.531 1.00 0.00 C ATOM 187 NZ LYS A 16 6.004 19.500 8.937 1.00 0.00 N ATOM 0 H LYS A 16 3.507 19.896 4.455 1.00 0.00 H new ATOM 0 HA LYS A 16 5.255 17.618 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.599 17.785 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.851 16.576 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.142 19.524 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.796 18.248 7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.964 17.288 7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.266 18.063 5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.549 19.241 7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.252 20.297 6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.517 20.276 9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.984 19.703 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.186 18.611 9.444 1.00 0.00 H new ATOM 201 N GLN A 17 2.833 17.995 2.145 1.00 0.00 N ATOM 202 CA GLN A 17 2.107 17.430 1.018 1.00 0.00 C ATOM 203 C GLN A 17 3.088 16.868 0.017 1.00 0.00 C ATOM 204 O GLN A 17 4.285 17.143 0.078 1.00 0.00 O ATOM 205 CB GLN A 17 1.245 18.476 0.305 1.00 0.00 C ATOM 206 CG GLN A 17 -0.043 18.858 1.004 1.00 0.00 C ATOM 207 CD GLN A 17 -0.938 19.716 0.112 1.00 0.00 C ATOM 208 OE1 GLN A 17 -0.916 19.592 -1.115 1.00 0.00 O ATOM 209 NE2 GLN A 17 -1.725 20.573 0.724 1.00 0.00 N ATOM 0 H GLN A 17 2.854 19.015 2.164 1.00 0.00 H new ATOM 0 HA GLN A 17 1.454 16.651 1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.842 19.377 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.999 18.100 -0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.579 17.955 1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.188 19.403 1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.710 20.642 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.350 21.169 0.181 1.00 0.00 H new ATOM 218 N THR A 18 2.583 16.100 -0.905 1.00 0.00 N ATOM 219 CA THR A 18 3.395 15.515 -1.952 1.00 0.00 C ATOM 220 C THR A 18 2.488 15.099 -3.109 1.00 0.00 C ATOM 221 O THR A 18 1.740 14.130 -2.994 1.00 0.00 O ATOM 222 CB THR A 18 4.213 14.291 -1.464 1.00 0.00 C ATOM 223 OG1 THR A 18 4.620 14.468 -0.095 1.00 0.00 O ATOM 224 CG2 THR A 18 5.458 14.142 -2.314 1.00 0.00 C ATOM 0 H THR A 18 1.594 15.856 -0.959 1.00 0.00 H new ATOM 0 HA THR A 18 4.114 16.269 -2.273 1.00 0.00 H new ATOM 0 HB THR A 18 3.584 13.404 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.134 13.686 0.197 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.032 13.282 -1.970 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.172 13.995 -3.355 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.067 15.042 -2.229 1.00 0.00 H new ATOM 232 N PRO A 19 2.531 15.825 -4.244 1.00 0.00 N ATOM 233 CA PRO A 19 3.466 16.934 -4.469 1.00 0.00 C ATOM 234 C PRO A 19 3.228 18.066 -3.509 1.00 0.00 C ATOM 235 O PRO A 19 2.092 18.288 -3.067 1.00 0.00 O ATOM 236 CB PRO A 19 3.167 17.396 -5.901 1.00 0.00 C ATOM 237 CG PRO A 19 2.346 16.310 -6.498 1.00 0.00 C ATOM 238 CD PRO A 19 1.617 15.663 -5.361 1.00 0.00 C ATOM 0 HA PRO A 19 4.500 16.622 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.629 18.344 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.087 17.550 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.646 16.710 -7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.975 15.588 -7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.659 16.146 -5.170 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.409 14.612 -5.562 1.00 0.00 H new ATOM 246 N CYS A 20 4.296 18.761 -3.172 1.00 0.00 N ATOM 247 CA CYS A 20 4.236 19.849 -2.233 1.00 0.00 C ATOM 248 C CYS A 20 3.126 20.810 -2.596 1.00 0.00 C ATOM 249 O CYS A 20 3.068 21.333 -3.717 1.00 0.00 O ATOM 250 CB CYS A 20 5.556 20.567 -2.166 1.00 0.00 C ATOM 251 SG CYS A 20 5.700 21.632 -0.745 1.00 0.00 S ATOM 0 H CYS A 20 5.228 18.582 -3.545 1.00 0.00 H new ATOM 0 HA CYS A 20 4.021 19.435 -1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.362 19.833 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.687 21.159 -3.072 1.00 0.00 H new ATOM 256 N GLY A 21 2.264 21.052 -1.645 1.00 0.00 N ATOM 257 CA GLY A 21 1.099 21.835 -1.892 1.00 0.00 C ATOM 258 C GLY A 21 1.366 23.319 -1.921 1.00 0.00 C ATOM 259 O GLY A 21 0.524 24.085 -2.361 1.00 0.00 O ATOM 0 H GLY A 21 2.354 20.712 -0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.664 21.534 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.358 21.622 -1.121 1.00 0.00 H new ATOM 263 N CYS A 22 2.541 23.732 -1.476 1.00 0.00 N ATOM 264 CA CYS A 22 2.893 25.152 -1.460 1.00 0.00 C ATOM 265 C CYS A 22 2.956 25.731 -2.871 1.00 0.00 C ATOM 266 O CYS A 22 2.971 26.949 -3.053 1.00 0.00 O ATOM 267 CB CYS A 22 4.218 25.367 -0.748 1.00 0.00 C ATOM 268 SG CYS A 22 4.195 24.920 0.994 1.00 0.00 S ATOM 0 H CYS A 22 3.268 23.111 -1.121 1.00 0.00 H new ATOM 0 HA CYS A 22 2.108 25.677 -0.915 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.988 24.783 -1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.502 26.415 -0.840 1.00 0.00 H new ATOM 273 N ALA A 23 2.982 24.857 -3.863 1.00 0.00 N ATOM 274 CA ALA A 23 3.030 25.276 -5.249 1.00 0.00 C ATOM 275 C ALA A 23 1.638 25.618 -5.771 1.00 0.00 C ATOM 276 O ALA A 23 1.497 26.242 -6.819 1.00 0.00 O ATOM 277 CB ALA A 23 3.663 24.190 -6.103 1.00 0.00 C ATOM 0 H ALA A 23 2.970 23.846 -3.730 1.00 0.00 H new ATOM 0 HA ALA A 23 3.641 26.177 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.694 24.516 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.677 23.997 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.073 23.277 -6.027 1.00 0.00 H new ATOM 283 N THR A 24 0.615 25.215 -5.035 1.00 0.00 N ATOM 284 CA THR A 24 -0.752 25.461 -5.452 1.00 0.00 C ATOM 285 C THR A 24 -1.580 26.127 -4.341 1.00 0.00 C ATOM 286 O THR A 24 -2.591 26.770 -4.613 1.00 0.00 O ATOM 287 CB THR A 24 -1.441 24.145 -5.911 1.00 0.00 C ATOM 288 OG1 THR A 24 -2.795 24.399 -6.295 1.00 0.00 O ATOM 289 CG2 THR A 24 -1.411 23.095 -4.810 1.00 0.00 C ATOM 0 H THR A 24 0.707 24.718 -4.149 1.00 0.00 H new ATOM 0 HA THR A 24 -0.706 26.149 -6.296 1.00 0.00 H new ATOM 0 HB THR A 24 -0.888 23.763 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.216 23.562 -6.583 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.900 22.186 -5.161 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.377 22.872 -4.548 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.935 23.473 -3.932 1.00 0.00 H new ATOM 297 N SER A 25 -1.140 25.986 -3.106 1.00 0.00 N ATOM 298 CA SER A 25 -1.867 26.532 -1.976 1.00 0.00 C ATOM 299 C SER A 25 -1.081 27.662 -1.310 1.00 0.00 C ATOM 300 O SER A 25 -1.492 28.188 -0.273 1.00 0.00 O ATOM 301 CB SER A 25 -2.166 25.417 -0.966 1.00 0.00 C ATOM 302 OG SER A 25 -2.993 25.878 0.092 1.00 0.00 O ATOM 0 H SER A 25 -0.280 25.496 -2.859 1.00 0.00 H new ATOM 0 HA SER A 25 -2.807 26.950 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.655 24.586 -1.475 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.230 25.035 -0.557 1.00 0.00 H new ATOM 0 HG SER A 25 -2.767 26.808 0.303 1.00 0.00 H new ATOM 308 N GLY A 26 0.041 28.030 -1.905 1.00 0.00 N ATOM 309 CA GLY A 26 0.842 29.095 -1.358 1.00 0.00 C ATOM 310 C GLY A 26 1.828 28.603 -0.327 1.00 0.00 C ATOM 311 O GLY A 26 1.560 27.643 0.399 1.00 0.00 O ATOM 0 H GLY A 26 0.409 27.608 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.381 29.591 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.189 29.841 -0.905 1.00 0.00 H new ATOM 315 N CYS A 27 2.967 29.248 -0.272 1.00 0.00 N ATOM 316 CA CYS A 27 4.003 28.902 0.681 1.00 0.00 C ATOM 317 C CYS A 27 3.929 29.814 1.901 1.00 0.00 C ATOM 318 O CYS A 27 3.445 30.947 1.811 1.00 0.00 O ATOM 319 CB CYS A 27 5.383 29.013 0.028 1.00 0.00 C ATOM 320 SG CYS A 27 6.762 28.658 1.142 1.00 0.00 S ATOM 0 H CYS A 27 3.206 30.028 -0.884 1.00 0.00 H new ATOM 0 HA CYS A 27 3.846 27.872 1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.428 28.327 -0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.503 30.020 -0.371 1.00 0.00 H new ATOM 325 N ASN A 28 4.395 29.314 3.037 1.00 0.00 N ATOM 326 CA ASN A 28 4.406 30.090 4.275 1.00 0.00 C ATOM 327 C ASN A 28 5.491 29.549 5.224 1.00 0.00 C ATOM 328 O ASN A 28 5.498 29.833 6.414 1.00 0.00 O ATOM 329 CB ASN A 28 3.005 30.046 4.934 1.00 0.00 C ATOM 330 CG ASN A 28 2.853 30.988 6.122 1.00 0.00 C ATOM 331 OD1 ASN A 28 2.578 32.177 5.955 1.00 0.00 O ATOM 332 ND2 ASN A 28 2.998 30.460 7.325 1.00 0.00 N ATOM 0 H ASN A 28 4.772 28.371 3.130 1.00 0.00 H new ATOM 0 HA ASN A 28 4.643 31.130 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.254 30.297 4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.800 29.027 5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.882 31.042 8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.226 29.471 7.424 1.00 0.00 H new ATOM 339 N CYS A 29 6.422 28.785 4.675 1.00 0.00 N ATOM 340 CA CYS A 29 7.490 28.196 5.475 1.00 0.00 C ATOM 341 C CYS A 29 8.560 29.224 5.797 1.00 0.00 C ATOM 342 O CYS A 29 8.633 30.284 5.169 1.00 0.00 O ATOM 343 CB CYS A 29 8.127 27.023 4.738 1.00 0.00 C ATOM 344 SG CYS A 29 6.996 25.679 4.364 1.00 0.00 S ATOM 0 H CYS A 29 6.462 28.557 3.682 1.00 0.00 H new ATOM 0 HA CYS A 29 7.047 27.842 6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.560 27.387 3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.948 26.634 5.340 1.00 0.00 H new ATOM 349 N THR A 30 9.386 28.911 6.771 1.00 0.00 N ATOM 350 CA THR A 30 10.484 29.769 7.129 1.00 0.00 C ATOM 351 C THR A 30 11.690 29.468 6.239 1.00 0.00 C ATOM 352 O THR A 30 11.699 28.467 5.517 1.00 0.00 O ATOM 353 CB THR A 30 10.863 29.593 8.612 1.00 0.00 C ATOM 354 OG1 THR A 30 11.115 28.204 8.898 1.00 0.00 O ATOM 355 CG2 THR A 30 9.748 30.100 9.513 1.00 0.00 C ATOM 0 H THR A 30 9.313 28.061 7.330 1.00 0.00 H new ATOM 0 HA THR A 30 10.174 30.803 6.979 1.00 0.00 H new ATOM 0 HB THR A 30 11.766 30.173 8.804 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.357 28.103 9.842 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.034 29.967 10.556 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.574 31.158 9.316 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.835 29.539 9.313 1.00 0.00 H new ATOM 363 N ASP A 31 12.706 30.321 6.296 1.00 0.00 N ATOM 364 CA ASP A 31 13.906 30.154 5.465 1.00 0.00 C ATOM 365 C ASP A 31 14.645 28.860 5.789 1.00 0.00 C ATOM 366 O ASP A 31 15.404 28.348 4.970 1.00 0.00 O ATOM 367 CB ASP A 31 14.847 31.352 5.620 1.00 0.00 C ATOM 368 CG ASP A 31 16.169 31.156 4.900 1.00 0.00 C ATOM 369 OD1 ASP A 31 17.183 30.885 5.579 1.00 0.00 O ATOM 370 OD2 ASP A 31 16.200 31.262 3.654 1.00 0.00 O ATOM 0 H ASP A 31 12.729 31.137 6.907 1.00 0.00 H new ATOM 0 HA ASP A 31 13.573 30.098 4.429 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.357 32.246 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.037 31.525 6.679 1.00 0.00 H new ATOM 375 N ASP A 32 14.395 28.312 6.970 1.00 0.00 N ATOM 376 CA ASP A 32 15.052 27.085 7.389 1.00 0.00 C ATOM 377 C ASP A 32 14.559 25.903 6.553 1.00 0.00 C ATOM 378 O ASP A 32 15.133 24.824 6.589 1.00 0.00 O ATOM 379 CB ASP A 32 14.807 26.825 8.875 1.00 0.00 C ATOM 380 CG ASP A 32 15.790 25.829 9.458 1.00 0.00 C ATOM 381 OD1 ASP A 32 16.894 26.251 9.852 1.00 0.00 O ATOM 382 OD2 ASP A 32 15.462 24.634 9.538 1.00 0.00 O ATOM 0 H ASP A 32 13.743 28.698 7.653 1.00 0.00 H new ATOM 0 HA ASP A 32 16.125 27.198 7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.879 27.765 9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.792 26.453 9.013 1.00 0.00 H new ATOM 387 N CYS A 33 13.484 26.125 5.806 1.00 0.00 N ATOM 388 CA CYS A 33 12.934 25.112 4.924 1.00 0.00 C ATOM 389 C CYS A 33 13.948 24.741 3.844 1.00 0.00 C ATOM 390 O CYS A 33 14.441 25.607 3.113 1.00 0.00 O ATOM 391 CB CYS A 33 11.644 25.621 4.284 1.00 0.00 C ATOM 392 SG CYS A 33 10.949 24.529 3.027 1.00 0.00 S ATOM 0 H CYS A 33 12.974 27.008 5.797 1.00 0.00 H new ATOM 0 HA CYS A 33 12.710 24.221 5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.901 25.772 5.067 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.836 26.595 3.834 1.00 0.00 H new ATOM 397 N LYS A 34 14.260 23.462 3.758 1.00 0.00 N ATOM 398 CA LYS A 34 15.242 22.972 2.801 1.00 0.00 C ATOM 399 C LYS A 34 14.565 22.163 1.710 1.00 0.00 C ATOM 400 O LYS A 34 15.212 21.389 1.002 1.00 0.00 O ATOM 401 CB LYS A 34 16.269 22.104 3.523 1.00 0.00 C ATOM 402 CG LYS A 34 16.878 22.764 4.748 1.00 0.00 C ATOM 403 CD LYS A 34 17.517 24.100 4.405 1.00 0.00 C ATOM 404 CE LYS A 34 18.043 24.795 5.647 1.00 0.00 C ATOM 405 NZ LYS A 34 19.010 23.953 6.390 1.00 0.00 N ATOM 0 H LYS A 34 13.846 22.736 4.343 1.00 0.00 H new ATOM 0 HA LYS A 34 15.741 23.825 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.794 21.170 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.067 21.846 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.106 22.912 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.627 22.103 5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.333 23.945 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 34 16.785 24.739 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.523 25.731 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.208 25.050 6.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.494 24.530 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.504 23.173 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.711 23.563 5.728 1.00 0.00 H new ATOM 419 N CYS A 35 13.274 22.352 1.566 1.00 0.00 N ATOM 420 CA CYS A 35 12.512 21.611 0.597 1.00 0.00 C ATOM 421 C CYS A 35 12.645 22.222 -0.791 1.00 0.00 C ATOM 422 O CYS A 35 12.296 23.380 -1.008 1.00 0.00 O ATOM 423 CB CYS A 35 11.048 21.543 1.010 1.00 0.00 C ATOM 424 SG CYS A 35 10.029 20.559 -0.099 1.00 0.00 S ATOM 0 H CYS A 35 12.729 23.018 2.113 1.00 0.00 H new ATOM 0 HA CYS A 35 12.912 20.598 0.558 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.982 21.127 2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.646 22.555 1.057 1.00 0.00 H new ATOM 429 N GLN A 36 13.142 21.430 -1.728 1.00 0.00 N ATOM 430 CA GLN A 36 13.330 21.879 -3.104 1.00 0.00 C ATOM 431 C GLN A 36 12.001 21.894 -3.851 1.00 0.00 C ATOM 432 O GLN A 36 11.899 22.433 -4.951 1.00 0.00 O ATOM 433 CB GLN A 36 14.308 20.952 -3.833 1.00 0.00 C ATOM 434 CG GLN A 36 15.659 20.810 -3.157 1.00 0.00 C ATOM 435 CD GLN A 36 16.533 19.758 -3.816 1.00 0.00 C ATOM 436 OE1 GLN A 36 17.322 20.051 -4.716 1.00 0.00 O ATOM 437 NE2 GLN A 36 16.397 18.527 -3.374 1.00 0.00 N ATOM 0 H GLN A 36 13.425 20.464 -1.561 1.00 0.00 H new ATOM 0 HA GLN A 36 13.736 22.890 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.855 19.965 -3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.459 21.327 -4.845 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.174 21.770 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.511 20.550 -2.109 1.00 0.00 H new ATOM 0 HE21 GLN A 36 15.733 18.324 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.956 17.775 -3.778 1.00 0.00 H new ATOM 446 N SER A 37 10.981 21.331 -3.228 1.00 0.00 N ATOM 447 CA SER A 37 9.696 21.184 -3.862 1.00 0.00 C ATOM 448 C SER A 37 8.885 22.480 -3.817 1.00 0.00 C ATOM 449 O SER A 37 8.272 22.862 -4.816 1.00 0.00 O ATOM 450 CB SER A 37 8.921 20.032 -3.226 1.00 0.00 C ATOM 451 OG SER A 37 7.854 19.611 -4.056 1.00 0.00 O ATOM 0 H SER A 37 11.025 20.967 -2.276 1.00 0.00 H new ATOM 0 HA SER A 37 9.869 20.953 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.595 19.195 -3.043 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.530 20.344 -2.258 1.00 0.00 H new ATOM 0 HG SER A 37 7.477 18.777 -3.706 1.00 0.00 H new ATOM 457 N CYS A 38 8.872 23.166 -2.674 1.00 0.00 N ATOM 458 CA CYS A 38 8.130 24.414 -2.592 1.00 0.00 C ATOM 459 C CYS A 38 9.011 25.585 -3.003 1.00 0.00 C ATOM 460 O CYS A 38 8.539 26.704 -3.181 1.00 0.00 O ATOM 461 CB CYS A 38 7.520 24.636 -1.201 1.00 0.00 C ATOM 462 SG CYS A 38 8.706 24.869 0.131 1.00 0.00 S ATOM 0 H CYS A 38 9.352 22.886 -1.819 1.00 0.00 H new ATOM 0 HA CYS A 38 7.296 24.347 -3.291 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.870 25.510 -1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.890 23.781 -0.958 1.00 0.00 H new ATOM 467 N LYS A 39 10.299 25.305 -3.162 1.00 0.00 N ATOM 468 CA LYS A 39 11.260 26.299 -3.626 1.00 0.00 C ATOM 469 C LYS A 39 11.457 26.157 -5.132 1.00 0.00 C ATOM 470 O LYS A 39 12.467 26.604 -5.683 1.00 0.00 O ATOM 471 CB LYS A 39 12.616 26.141 -2.897 1.00 0.00 C ATOM 472 CG LYS A 39 12.720 26.898 -1.567 1.00 0.00 C ATOM 473 CD LYS A 39 11.726 26.388 -0.544 1.00 0.00 C ATOM 474 CE LYS A 39 11.534 27.376 0.591 1.00 0.00 C ATOM 475 NZ LYS A 39 10.381 27.011 1.457 1.00 0.00 N ATOM 0 H LYS A 39 10.705 24.388 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 39 10.868 27.291 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.792 25.081 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.411 26.485 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.731 26.798 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.549 27.960 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.768 26.200 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.072 25.436 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.441 27.417 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.378 28.374 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.071 27.847 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.597 26.668 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.668 26.263 2.120 1.00 0.00 H new ATOM 489 N TYR A 40 10.467 25.553 -5.796 1.00 0.00 N ATOM 490 CA TYR A 40 10.536 25.307 -7.231 1.00 0.00 C ATOM 491 C TYR A 40 10.656 26.616 -8.016 1.00 0.00 C ATOM 492 O TYR A 40 10.366 27.704 -7.500 1.00 0.00 O ATOM 493 CB TYR A 40 9.326 24.484 -7.716 1.00 0.00 C ATOM 494 CG TYR A 40 8.039 25.270 -7.881 1.00 0.00 C ATOM 495 CD1 TYR A 40 7.548 25.564 -9.150 1.00 0.00 C ATOM 496 CD2 TYR A 40 7.317 25.712 -6.781 1.00 0.00 C ATOM 497 CE1 TYR A 40 6.377 26.273 -9.316 1.00 0.00 C ATOM 498 CE2 TYR A 40 6.143 26.425 -6.941 1.00 0.00 C ATOM 499 CZ TYR A 40 5.678 26.702 -8.211 1.00 0.00 C ATOM 500 OH TYR A 40 4.509 27.409 -8.375 1.00 0.00 O ATOM 0 H TYR A 40 9.607 25.226 -5.356 1.00 0.00 H new ATOM 0 HA TYR A 40 11.436 24.722 -7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.578 24.024 -8.672 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.151 23.673 -7.009 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.094 25.231 -10.020 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.677 25.496 -5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.010 26.491 -10.308 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.592 26.764 -6.076 1.00 0.00 H new ATOM 0 HH TYR A 40 4.138 27.637 -7.497 1.00 0.00 H new ATOM 510 N GLY A 41 11.071 26.501 -9.260 1.00 0.00 N ATOM 511 CA GLY A 41 11.315 27.664 -10.076 1.00 0.00 C ATOM 512 C GLY A 41 12.767 27.713 -10.441 1.00 0.00 C ATOM 513 O GLY A 41 13.130 28.009 -11.575 1.00 0.00 O ATOM 0 H GLY A 41 11.246 25.611 -9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.702 27.626 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.033 28.568 -9.536 1.00 0.00 H new ATOM 517 N ALA A 42 13.602 27.376 -9.467 1.00 0.00 N ATOM 518 CA ALA A 42 15.033 27.260 -9.672 1.00 0.00 C ATOM 519 C ALA A 42 15.348 25.834 -10.098 1.00 0.00 C ATOM 520 O ALA A 42 16.502 25.411 -10.144 1.00 0.00 O ATOM 521 CB ALA A 42 15.783 27.608 -8.393 1.00 0.00 C ATOM 0 H ALA A 42 13.302 27.176 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 42 15.351 27.956 -10.448 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.856 27.516 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 42 15.549 28.632 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.482 26.926 -7.598 1.00 0.00 H new ATOM 527 N GLY A 43 14.293 25.108 -10.420 1.00 0.00 N ATOM 528 CA GLY A 43 14.412 23.737 -10.813 1.00 0.00 C ATOM 529 C GLY A 43 13.394 23.344 -11.853 1.00 0.00 C ATOM 530 O GLY A 43 13.342 22.202 -12.259 1.00 0.00 O ATOM 0 H GLY A 43 13.336 25.462 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.414 23.560 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.296 23.100 -9.936 1.00 0.00 H new ATOM 534 N CYS A 44 12.634 24.309 -12.338 1.00 0.00 N ATOM 535 CA CYS A 44 11.529 24.014 -13.246 1.00 0.00 C ATOM 536 C CYS A 44 11.473 24.983 -14.397 1.00 0.00 C ATOM 537 O CYS A 44 12.371 25.803 -14.583 1.00 0.00 O ATOM 538 CB CYS A 44 10.189 24.039 -12.498 1.00 0.00 C ATOM 539 SG CYS A 44 9.852 22.576 -11.506 1.00 0.00 S ATOM 0 H CYS A 44 12.756 25.299 -12.123 1.00 0.00 H new ATOM 0 HA CYS A 44 11.707 23.015 -13.645 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.168 24.914 -11.849 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.386 24.161 -13.224 1.00 0.00 H new ATOM 544 N THR A 45 10.411 24.873 -15.162 1.00 0.00 N ATOM 545 CA THR A 45 10.170 25.715 -16.290 1.00 0.00 C ATOM 546 C THR A 45 8.662 25.855 -16.482 1.00 0.00 C ATOM 547 O THR A 45 7.878 25.153 -15.826 1.00 0.00 O ATOM 548 CB THR A 45 10.811 25.116 -17.570 1.00 0.00 C ATOM 549 OG1 THR A 45 10.649 26.004 -18.685 1.00 0.00 O ATOM 550 CG2 THR A 45 10.193 23.765 -17.903 1.00 0.00 C ATOM 0 H THR A 45 9.681 24.178 -15.006 1.00 0.00 H new ATOM 0 HA THR A 45 10.619 26.692 -16.112 1.00 0.00 H new ATOM 0 HB THR A 45 11.875 24.982 -17.375 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.401 25.894 -19.303 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.658 23.364 -18.804 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.355 23.076 -17.074 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.123 23.886 -18.070 1.00 0.00 H new ATOM 558 N ASP A 46 8.263 26.732 -17.375 1.00 0.00 N ATOM 559 CA ASP A 46 6.841 26.961 -17.660 1.00 0.00 C ATOM 560 C ASP A 46 6.229 25.743 -18.355 1.00 0.00 C ATOM 561 O ASP A 46 5.019 25.553 -18.363 1.00 0.00 O ATOM 562 CB ASP A 46 6.669 28.215 -18.532 1.00 0.00 C ATOM 563 CG ASP A 46 5.218 28.510 -18.877 1.00 0.00 C ATOM 564 OD1 ASP A 46 4.493 29.040 -18.019 1.00 0.00 O ATOM 565 OD2 ASP A 46 4.800 28.224 -20.023 1.00 0.00 O ATOM 0 H ASP A 46 8.899 27.308 -17.927 1.00 0.00 H new ATOM 0 HA ASP A 46 6.320 27.116 -16.715 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.094 29.073 -18.011 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.237 28.089 -19.454 1.00 0.00 H new ATOM 570 N THR A 47 7.085 24.913 -18.909 1.00 0.00 N ATOM 571 CA THR A 47 6.663 23.733 -19.631 1.00 0.00 C ATOM 572 C THR A 47 6.350 22.555 -18.672 1.00 0.00 C ATOM 573 O THR A 47 5.630 21.624 -19.029 1.00 0.00 O ATOM 574 CB THR A 47 7.756 23.323 -20.638 1.00 0.00 C ATOM 575 OG1 THR A 47 8.232 24.497 -21.312 1.00 0.00 O ATOM 576 CG2 THR A 47 7.213 22.357 -21.669 1.00 0.00 C ATOM 0 H THR A 47 8.097 25.038 -18.871 1.00 0.00 H new ATOM 0 HA THR A 47 5.744 23.974 -20.165 1.00 0.00 H new ATOM 0 HB THR A 47 8.563 22.834 -20.092 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.929 24.246 -21.954 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.006 22.085 -22.366 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.846 21.460 -21.170 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.396 22.829 -22.215 1.00 0.00 H new ATOM 584 N CYS A 48 6.868 22.621 -17.453 1.00 0.00 N ATOM 585 CA CYS A 48 6.654 21.551 -16.476 1.00 0.00 C ATOM 586 C CYS A 48 5.362 21.774 -15.694 1.00 0.00 C ATOM 587 O CYS A 48 4.684 20.824 -15.311 1.00 0.00 O ATOM 588 CB CYS A 48 7.845 21.453 -15.509 1.00 0.00 C ATOM 589 SG CYS A 48 7.650 20.217 -14.192 1.00 0.00 S ATOM 0 H CYS A 48 7.437 23.397 -17.114 1.00 0.00 H new ATOM 0 HA CYS A 48 6.568 20.612 -17.024 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.742 21.217 -16.081 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.006 22.429 -15.052 1.00 0.00 H new ATOM 594 N LYS A 49 5.010 23.035 -15.494 1.00 0.00 N ATOM 595 CA LYS A 49 3.821 23.392 -14.721 1.00 0.00 C ATOM 596 C LYS A 49 2.539 23.250 -15.547 1.00 0.00 C ATOM 597 O LYS A 49 1.463 23.652 -15.107 1.00 0.00 O ATOM 598 CB LYS A 49 3.947 24.822 -14.211 1.00 0.00 C ATOM 599 CG LYS A 49 4.087 25.849 -15.324 1.00 0.00 C ATOM 600 CD LYS A 49 4.197 27.256 -14.778 1.00 0.00 C ATOM 601 CE LYS A 49 2.947 27.651 -13.999 1.00 0.00 C ATOM 602 NZ LYS A 49 2.999 29.057 -13.536 1.00 0.00 N ATOM 0 H LYS A 49 5.530 23.834 -15.856 1.00 0.00 H new ATOM 0 HA LYS A 49 3.754 22.702 -13.880 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.070 25.065 -13.611 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.813 24.890 -13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.970 25.620 -15.921 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.226 25.783 -15.990 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.070 27.329 -14.129 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.351 27.955 -15.600 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.068 27.510 -14.629 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.833 26.991 -13.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.130 29.282 -13.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.822 29.187 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.082 29.690 -14.357 1.00 0.00 H new ATOM 616 N GLN A 50 2.661 22.681 -16.735 1.00 0.00 N ATOM 617 CA GLN A 50 1.525 22.500 -17.609 1.00 0.00 C ATOM 618 C GLN A 50 0.700 21.304 -17.165 1.00 0.00 C ATOM 619 O GLN A 50 1.011 20.661 -16.161 1.00 0.00 O ATOM 620 CB GLN A 50 1.991 22.311 -19.040 1.00 0.00 C ATOM 621 CG GLN A 50 2.978 23.363 -19.474 1.00 0.00 C ATOM 622 CD GLN A 50 3.192 23.389 -20.957 1.00 0.00 C ATOM 623 OE1 GLN A 50 3.040 22.381 -21.641 1.00 0.00 O ATOM 624 NE2 GLN A 50 3.578 24.522 -21.453 1.00 0.00 N ATOM 0 H GLN A 50 3.543 22.336 -17.114 1.00 0.00 H new ATOM 0 HA GLN A 50 0.901 23.392 -17.557 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.447 21.326 -19.142 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.127 22.333 -19.705 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.626 24.341 -19.146 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.932 23.185 -18.978 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.690 25.333 -20.845 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.769 24.603 -22.452 1.00 0.00 H new ATOM 633 N THR A 51 -0.335 21.003 -17.911 1.00 0.00 N ATOM 634 CA THR A 51 -1.208 19.895 -17.596 1.00 0.00 C ATOM 635 C THR A 51 -1.412 18.998 -18.830 1.00 0.00 C ATOM 636 O THR A 51 -1.896 19.459 -19.867 1.00 0.00 O ATOM 637 CB THR A 51 -2.579 20.402 -17.090 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.381 21.350 -16.024 1.00 0.00 O ATOM 639 CG2 THR A 51 -3.427 19.247 -16.582 1.00 0.00 C ATOM 0 H THR A 51 -0.597 21.517 -18.752 1.00 0.00 H new ATOM 0 HA THR A 51 -0.735 19.312 -16.806 1.00 0.00 H new ATOM 0 HB THR A 51 -3.097 20.880 -17.921 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.251 21.671 -15.706 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.387 19.627 -16.231 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.592 18.534 -17.390 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.911 18.751 -15.760 1.00 0.00 H new ATOM 647 N PRO A 52 -1.021 17.707 -18.744 1.00 0.00 N ATOM 648 CA PRO A 52 -0.403 17.137 -17.541 1.00 0.00 C ATOM 649 C PRO A 52 1.025 17.634 -17.346 1.00 0.00 C ATOM 650 O PRO A 52 1.448 17.904 -16.223 1.00 0.00 O ATOM 651 CB PRO A 52 -0.407 15.631 -17.816 1.00 0.00 C ATOM 652 CG PRO A 52 -0.416 15.512 -19.301 1.00 0.00 C ATOM 653 CD PRO A 52 -1.180 16.701 -19.813 1.00 0.00 C ATOM 0 HA PRO A 52 -0.937 17.418 -16.633 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.471 15.149 -17.386 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.281 15.151 -17.376 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.600 15.502 -19.697 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.889 14.581 -19.614 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.777 17.057 -20.761 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.229 16.460 -19.983 1.00 0.00 H new ATOM 661 N CYS A 53 1.753 17.752 -18.450 1.00 0.00 N ATOM 662 CA CYS A 53 3.114 18.231 -18.431 1.00 0.00 C ATOM 663 C CYS A 53 3.639 18.356 -19.857 1.00 0.00 C ATOM 664 O CYS A 53 3.513 17.426 -20.651 1.00 0.00 O ATOM 665 CB CYS A 53 3.988 17.270 -17.646 1.00 0.00 C ATOM 666 SG CYS A 53 5.560 17.966 -17.134 1.00 0.00 S ATOM 0 H CYS A 53 1.408 17.516 -19.381 1.00 0.00 H new ATOM 0 HA CYS A 53 3.140 19.210 -17.953 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.443 16.939 -16.762 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.175 16.385 -18.255 1.00 0.00 H new ATOM 671 N GLY A 54 4.218 19.501 -20.178 1.00 0.00 N ATOM 672 CA GLY A 54 4.742 19.710 -21.509 1.00 0.00 C ATOM 673 C GLY A 54 6.145 19.157 -21.669 1.00 0.00 C ATOM 674 O GLY A 54 6.563 18.806 -22.775 1.00 0.00 O ATOM 0 H GLY A 54 4.334 20.289 -19.541 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.082 19.236 -22.235 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.747 20.777 -21.732 1.00 0.00 H new ATOM 678 N CYS A 55 6.868 19.056 -20.555 1.00 0.00 N ATOM 679 CA CYS A 55 8.234 18.553 -20.565 1.00 0.00 C ATOM 680 C CYS A 55 8.292 17.072 -20.942 1.00 0.00 C ATOM 681 O CYS A 55 9.371 16.511 -21.144 1.00 0.00 O ATOM 682 CB CYS A 55 8.904 18.797 -19.217 1.00 0.00 C ATOM 683 SG CYS A 55 9.281 20.535 -18.886 1.00 0.00 S ATOM 0 H CYS A 55 6.525 19.318 -19.631 1.00 0.00 H new ATOM 0 HA CYS A 55 8.782 19.103 -21.330 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.255 18.420 -18.427 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.828 18.221 -19.173 1.00 0.00 H new ATOM 688 N GLY A 56 7.127 16.449 -21.045 1.00 0.00 N ATOM 689 CA GLY A 56 7.056 15.068 -21.471 1.00 0.00 C ATOM 690 C GLY A 56 7.397 14.925 -22.944 1.00 0.00 C ATOM 691 O GLY A 56 7.748 13.839 -23.408 1.00 0.00 O ATOM 0 H GLY A 56 6.225 16.879 -20.840 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.744 14.466 -20.877 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.054 14.680 -21.289 1.00 0.00 H new ATOM 695 N SER A 57 7.293 16.031 -23.676 1.00 0.00 N ATOM 696 CA SER A 57 7.621 16.057 -25.091 1.00 0.00 C ATOM 697 C SER A 57 8.792 17.018 -25.341 1.00 0.00 C ATOM 698 O SER A 57 9.195 17.244 -26.483 1.00 0.00 O ATOM 699 CB SER A 57 6.391 16.482 -25.912 1.00 0.00 C ATOM 700 OG SER A 57 6.637 16.404 -27.314 1.00 0.00 O ATOM 0 H SER A 57 6.980 16.928 -23.304 1.00 0.00 H new ATOM 0 HA SER A 57 7.918 15.056 -25.405 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.545 15.844 -25.656 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.113 17.502 -25.648 1.00 0.00 H new ATOM 0 HG SER A 57 7.570 16.643 -27.496 1.00 0.00 H new ATOM 706 N GLY A 58 9.335 17.566 -24.265 1.00 0.00 N ATOM 707 CA GLY A 58 10.438 18.497 -24.375 1.00 0.00 C ATOM 708 C GLY A 58 10.678 19.237 -23.079 1.00 0.00 C ATOM 709 O GLY A 58 10.062 20.273 -22.826 1.00 0.00 O ATOM 0 H GLY A 58 9.028 17.381 -23.310 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.342 17.958 -24.659 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.231 19.213 -25.170 1.00 0.00 H new ATOM 713 N CYS A 59 11.559 18.699 -22.255 1.00 0.00 N ATOM 714 CA CYS A 59 11.872 19.290 -20.961 1.00 0.00 C ATOM 715 C CYS A 59 12.728 20.545 -21.115 1.00 0.00 C ATOM 716 O CYS A 59 13.543 20.648 -22.033 1.00 0.00 O ATOM 717 CB CYS A 59 12.564 18.257 -20.064 1.00 0.00 C ATOM 718 SG CYS A 59 13.284 18.928 -18.540 1.00 0.00 S ATOM 0 H CYS A 59 12.077 17.844 -22.460 1.00 0.00 H new ATOM 0 HA CYS A 59 10.938 19.592 -20.487 1.00 0.00 H new ATOM 0 HB2 CYS A 59 11.841 17.486 -19.798 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.353 17.770 -20.637 1.00 0.00 H new ATOM 723 N ASN A 60 12.529 21.502 -20.224 1.00 0.00 N ATOM 724 CA ASN A 60 13.264 22.759 -20.276 1.00 0.00 C ATOM 725 C ASN A 60 13.512 23.290 -18.858 1.00 0.00 C ATOM 726 O ASN A 60 13.730 24.483 -18.656 1.00 0.00 O ATOM 727 CB ASN A 60 12.463 23.788 -21.097 1.00 0.00 C ATOM 728 CG ASN A 60 13.254 25.044 -21.456 1.00 0.00 C ATOM 729 OD1 ASN A 60 12.708 26.144 -21.472 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.524 24.887 -21.782 1.00 0.00 N ATOM 0 H ASN A 60 11.864 21.434 -19.454 1.00 0.00 H new ATOM 0 HA ASN A 60 14.229 22.590 -20.754 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.116 23.314 -22.015 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.577 24.078 -20.533 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.083 25.694 -22.058 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.946 23.959 -21.758 1.00 0.00 H new ATOM 737 N CYS A 61 13.494 22.390 -17.882 1.00 0.00 N ATOM 738 CA CYS A 61 13.677 22.770 -16.478 1.00 0.00 C ATOM 739 C CYS A 61 15.103 23.207 -16.173 1.00 0.00 C ATOM 740 O CYS A 61 15.937 23.342 -17.071 1.00 0.00 O ATOM 741 CB CYS A 61 13.293 21.621 -15.559 1.00 0.00 C ATOM 742 SG CYS A 61 11.530 21.369 -15.414 1.00 0.00 S ATOM 0 H CYS A 61 13.355 21.391 -18.032 1.00 0.00 H new ATOM 0 HA CYS A 61 13.022 23.622 -16.299 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.752 20.704 -15.928 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.706 21.808 -14.568 1.00 0.00 H new ATOM 747 N LYS A 62 15.383 23.410 -14.893 1.00 0.00 N ATOM 748 CA LYS A 62 16.691 23.852 -14.472 1.00 0.00 C ATOM 749 C LYS A 62 17.512 22.669 -13.988 1.00 0.00 C ATOM 750 O LYS A 62 18.389 22.185 -14.698 1.00 0.00 O ATOM 751 CB LYS A 62 16.590 24.901 -13.360 1.00 0.00 C ATOM 752 CG LYS A 62 15.738 26.122 -13.700 1.00 0.00 C ATOM 753 CD LYS A 62 16.319 27.404 -13.084 1.00 0.00 C ATOM 754 CE LYS A 62 17.687 27.756 -13.658 1.00 0.00 C ATOM 755 NZ LYS A 62 18.293 28.922 -12.963 1.00 0.00 N ATOM 0 H LYS A 62 14.717 23.274 -14.133 1.00 0.00 H new ATOM 0 HA LYS A 62 17.183 24.309 -15.331 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.178 24.426 -12.469 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.595 25.237 -13.106 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.676 26.233 -14.783 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.722 25.971 -13.336 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.631 28.231 -13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.402 27.280 -12.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.350 26.896 -13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.590 27.977 -14.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.222 29.131 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.672 29.750 -13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.409 28.702 -11.953 1.00 0.00 H new ATOM 769 N GLU A 63 17.202 22.200 -12.780 1.00 0.00 N ATOM 770 CA GLU A 63 17.902 21.091 -12.173 1.00 0.00 C ATOM 771 C GLU A 63 17.150 20.585 -10.944 1.00 0.00 C ATOM 772 O GLU A 63 17.003 19.382 -10.748 1.00 0.00 O ATOM 773 CB GLU A 63 19.306 21.518 -11.799 1.00 0.00 C ATOM 774 CG GLU A 63 19.367 22.774 -10.955 1.00 0.00 C ATOM 775 CD GLU A 63 20.765 23.291 -10.811 1.00 0.00 C ATOM 776 OE1 GLU A 63 21.480 22.847 -9.895 1.00 0.00 O ATOM 777 OE2 GLU A 63 21.166 24.150 -11.626 1.00 0.00 O ATOM 0 H GLU A 63 16.456 22.586 -12.201 1.00 0.00 H new ATOM 0 HA GLU A 63 17.959 20.274 -12.892 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.789 20.705 -11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.881 21.678 -12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.741 23.544 -11.407 1.00 0.00 H new ATOM 0 HG3 GLU A 63 18.955 22.567 -9.968 1.00 0.00 H new ATOM 784 N ASP A 64 16.669 21.515 -10.129 1.00 0.00 N ATOM 785 CA ASP A 64 15.908 21.203 -8.920 1.00 0.00 C ATOM 786 C ASP A 64 14.479 20.794 -9.263 1.00 0.00 C ATOM 787 O ASP A 64 13.517 21.391 -8.778 1.00 0.00 O ATOM 788 CB ASP A 64 15.874 22.428 -7.999 1.00 0.00 C ATOM 789 CG ASP A 64 17.183 22.718 -7.306 1.00 0.00 C ATOM 790 OD1 ASP A 64 18.238 22.677 -7.966 1.00 0.00 O ATOM 791 OD2 ASP A 64 17.160 23.026 -6.099 1.00 0.00 O ATOM 0 H ASP A 64 16.795 22.515 -10.287 1.00 0.00 H new ATOM 0 HA ASP A 64 16.398 20.370 -8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.585 23.301 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.101 22.280 -7.244 1.00 0.00 H new ATOM 796 N CYS A 65 14.346 19.819 -10.128 1.00 0.00 N ATOM 797 CA CYS A 65 13.044 19.322 -10.504 1.00 0.00 C ATOM 798 C CYS A 65 12.783 17.967 -9.883 1.00 0.00 C ATOM 799 O CYS A 65 13.548 17.019 -10.088 1.00 0.00 O ATOM 800 CB CYS A 65 12.912 19.224 -12.016 1.00 0.00 C ATOM 801 SG CYS A 65 11.299 18.620 -12.562 1.00 0.00 S ATOM 0 H CYS A 65 15.127 19.351 -10.587 1.00 0.00 H new ATOM 0 HA CYS A 65 12.304 20.031 -10.132 1.00 0.00 H new ATOM 0 HB2 CYS A 65 13.090 20.207 -12.453 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.688 18.560 -12.398 1.00 0.00 H new ATOM 806 N ARG A 66 11.700 17.882 -9.139 1.00 0.00 N ATOM 807 CA ARG A 66 11.293 16.642 -8.491 1.00 0.00 C ATOM 808 C ARG A 66 10.070 16.045 -9.163 1.00 0.00 C ATOM 809 O ARG A 66 9.326 15.267 -8.561 1.00 0.00 O ATOM 810 CB ARG A 66 11.043 16.861 -6.994 1.00 0.00 C ATOM 811 CG ARG A 66 10.444 18.206 -6.630 1.00 0.00 C ATOM 812 CD ARG A 66 9.113 18.453 -7.331 1.00 0.00 C ATOM 813 NE ARG A 66 8.434 19.644 -6.806 1.00 0.00 N ATOM 814 CZ ARG A 66 7.570 20.396 -7.494 1.00 0.00 C ATOM 815 NH1 ARG A 66 7.298 20.115 -8.756 1.00 0.00 N ATOM 816 NH2 ARG A 66 6.995 21.445 -6.918 1.00 0.00 N ATOM 0 H ARG A 66 11.074 18.668 -8.963 1.00 0.00 H new ATOM 0 HA ARG A 66 12.111 15.929 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.378 16.076 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.988 16.746 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.299 18.257 -5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.145 18.998 -6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.282 18.573 -8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.469 17.582 -7.206 1.00 0.00 H new ATOM 0 HE ARG A 66 8.637 19.918 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.748 19.320 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.638 20.693 -9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.213 21.678 -5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.336 22.018 -7.444 1.00 0.00 H new ATOM 830 N CYS A 67 9.858 16.416 -10.403 1.00 0.00 N ATOM 831 CA CYS A 67 8.755 15.881 -11.158 1.00 0.00 C ATOM 832 C CYS A 67 9.124 14.516 -11.698 1.00 0.00 C ATOM 833 O CYS A 67 10.215 14.324 -12.224 1.00 0.00 O ATOM 834 CB CYS A 67 8.376 16.800 -12.306 1.00 0.00 C ATOM 835 SG CYS A 67 6.950 16.225 -13.244 1.00 0.00 S ATOM 0 H CYS A 67 10.436 17.087 -10.909 1.00 0.00 H new ATOM 0 HA CYS A 67 7.896 15.796 -10.493 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.165 17.794 -11.911 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.228 16.899 -12.979 1.00 0.00 H new ATOM 840 N GLN A 68 8.217 13.577 -11.581 1.00 0.00 N ATOM 841 CA GLN A 68 8.476 12.227 -12.038 1.00 0.00 C ATOM 842 C GLN A 68 7.918 12.007 -13.437 1.00 0.00 C ATOM 843 O GLN A 68 7.931 10.892 -13.952 1.00 0.00 O ATOM 844 CB GLN A 68 7.890 11.198 -11.063 1.00 0.00 C ATOM 845 CG GLN A 68 6.404 11.362 -10.798 1.00 0.00 C ATOM 846 CD GLN A 68 6.098 12.060 -9.481 1.00 0.00 C ATOM 847 OE1 GLN A 68 5.038 11.851 -8.894 1.00 0.00 O ATOM 848 NE2 GLN A 68 7.025 12.863 -8.993 1.00 0.00 N ATOM 0 H GLN A 68 7.293 13.719 -11.174 1.00 0.00 H new ATOM 0 HA GLN A 68 9.557 12.091 -12.075 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.068 10.198 -11.458 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.425 11.266 -10.116 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.958 11.930 -11.614 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.932 10.380 -10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.893 13.013 -9.508 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.874 13.334 -8.101 1.00 0.00 H new ATOM 857 N SER A 69 7.454 13.074 -14.062 1.00 0.00 N ATOM 858 CA SER A 69 6.873 12.976 -15.373 1.00 0.00 C ATOM 859 C SER A 69 7.907 13.231 -16.463 1.00 0.00 C ATOM 860 O SER A 69 7.909 12.559 -17.489 1.00 0.00 O ATOM 861 CB SER A 69 5.712 13.952 -15.498 1.00 0.00 C ATOM 862 OG SER A 69 4.756 13.731 -14.471 1.00 0.00 O ATOM 0 H SER A 69 7.472 14.018 -13.675 1.00 0.00 H new ATOM 0 HA SER A 69 6.502 11.960 -15.506 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.083 14.975 -15.442 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.238 13.838 -16.473 1.00 0.00 H new ATOM 0 HG SER A 69 4.019 14.369 -14.568 1.00 0.00 H new ATOM 868 N CYS A 70 8.791 14.191 -16.243 1.00 0.00 N ATOM 869 CA CYS A 70 9.781 14.517 -17.253 1.00 0.00 C ATOM 870 C CYS A 70 11.198 14.169 -16.814 1.00 0.00 C ATOM 871 O CYS A 70 12.136 14.248 -17.610 1.00 0.00 O ATOM 872 CB CYS A 70 9.684 15.987 -17.643 1.00 0.00 C ATOM 873 SG CYS A 70 10.005 17.151 -16.299 1.00 0.00 S ATOM 0 H CYS A 70 8.843 14.748 -15.390 1.00 0.00 H new ATOM 0 HA CYS A 70 9.560 13.903 -18.126 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.391 16.182 -18.450 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.687 16.178 -18.040 1.00 0.00 H new ATOM 878 N SER A 71 11.356 13.785 -15.556 1.00 0.00 N ATOM 879 CA SER A 71 12.668 13.413 -15.040 1.00 0.00 C ATOM 880 C SER A 71 13.198 12.155 -15.739 1.00 0.00 C ATOM 881 O SER A 71 12.444 11.416 -16.378 1.00 0.00 O ATOM 882 CB SER A 71 12.614 13.194 -13.527 1.00 0.00 C ATOM 883 OG SER A 71 13.916 13.045 -12.974 1.00 0.00 O ATOM 0 H SER A 71 10.598 13.722 -14.876 1.00 0.00 H new ATOM 0 HA SER A 71 13.352 14.235 -15.248 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.111 14.038 -13.054 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.021 12.306 -13.308 1.00 0.00 H new ATOM 0 HG SER A 71 13.920 13.379 -12.053 1.00 0.00 H new ATOM 889 N THR A 72 14.489 11.923 -15.594 1.00 0.00 N ATOM 890 CA THR A 72 15.163 10.799 -16.223 1.00 0.00 C ATOM 891 C THR A 72 14.762 9.475 -15.566 1.00 0.00 C ATOM 892 O THR A 72 14.177 9.458 -14.463 1.00 0.00 O ATOM 893 CB THR A 72 16.712 10.974 -16.161 1.00 0.00 C ATOM 894 OG1 THR A 72 17.367 9.982 -16.964 1.00 0.00 O ATOM 895 CG2 THR A 72 17.220 10.874 -14.725 1.00 0.00 C ATOM 0 H THR A 72 15.105 12.512 -15.033 1.00 0.00 H new ATOM 0 HA THR A 72 14.853 10.775 -17.268 1.00 0.00 H new ATOM 0 HB THR A 72 16.944 11.965 -16.550 1.00 0.00 H new ATOM 0 HG1 THR A 72 18.337 10.109 -16.914 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.303 11.000 -14.712 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.757 11.654 -14.120 1.00 0.00 H new ATOM 0 HG23 THR A 72 16.963 9.897 -14.316 1.00 0.00 H new ATOM 903 N ALA A 73 15.070 8.378 -16.242 1.00 0.00 N ATOM 904 CA ALA A 73 14.763 7.061 -15.741 1.00 0.00 C ATOM 905 C ALA A 73 15.604 6.753 -14.517 1.00 0.00 C ATOM 906 O ALA A 73 16.824 6.620 -14.602 1.00 0.00 O ATOM 907 CB ALA A 73 14.976 6.011 -16.818 1.00 0.00 C ATOM 0 H ALA A 73 15.538 8.383 -17.149 1.00 0.00 H new ATOM 0 HA ALA A 73 13.712 7.039 -15.452 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.738 5.026 -16.417 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.327 6.224 -17.667 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.016 6.029 -17.143 1.00 0.00 H new ATOM 913 N CYS A 74 14.947 6.682 -13.384 1.00 0.00 N ATOM 914 CA CYS A 74 15.601 6.392 -12.123 1.00 0.00 C ATOM 915 C CYS A 74 16.131 4.951 -12.125 1.00 0.00 C ATOM 916 O CYS A 74 15.547 4.076 -12.764 1.00 0.00 O ATOM 917 CB CYS A 74 14.604 6.579 -10.986 1.00 0.00 C ATOM 918 SG CYS A 74 15.297 7.331 -9.516 1.00 0.00 S ATOM 0 H CYS A 74 13.940 6.824 -13.307 1.00 0.00 H new ATOM 0 HA CYS A 74 16.441 7.073 -11.985 1.00 0.00 H new ATOM 0 HB2 CYS A 74 13.778 7.195 -11.340 1.00 0.00 H new ATOM 0 HB3 CYS A 74 14.186 5.608 -10.721 1.00 0.00 H new ATOM 923 N LYS A 75 17.224 4.709 -11.411 1.00 0.00 N ATOM 924 CA LYS A 75 17.827 3.368 -11.368 1.00 0.00 C ATOM 925 C LYS A 75 17.224 2.514 -10.281 1.00 0.00 C ATOM 926 O LYS A 75 17.588 1.348 -10.115 1.00 0.00 O ATOM 927 CB LYS A 75 19.342 3.441 -11.205 1.00 0.00 C ATOM 928 CG LYS A 75 20.055 3.891 -12.455 1.00 0.00 C ATOM 929 CD LYS A 75 19.905 2.864 -13.567 1.00 0.00 C ATOM 930 CE LYS A 75 20.368 3.438 -14.900 1.00 0.00 C ATOM 931 NZ LYS A 75 21.785 3.878 -14.857 1.00 0.00 N ATOM 0 H LYS A 75 17.712 5.412 -10.856 1.00 0.00 H new ATOM 0 HA LYS A 75 17.607 2.896 -12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.580 4.127 -10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 75 19.717 2.460 -10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 75 19.652 4.849 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.112 4.047 -12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 75 20.487 1.974 -13.327 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.863 2.553 -13.642 1.00 0.00 H new ATOM 0 HE2 LYS A 75 20.246 2.686 -15.680 1.00 0.00 H new ATOM 0 HE3 LYS A 75 19.735 4.283 -15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.108 4.102 -15.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.868 4.724 -14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.373 3.116 -14.463 1.00 0.00 H new ATOM 945 N CYS A 76 16.326 3.084 -9.538 1.00 0.00 N ATOM 946 CA CYS A 76 15.637 2.358 -8.517 1.00 0.00 C ATOM 947 C CYS A 76 14.527 1.534 -9.152 1.00 0.00 C ATOM 948 O CYS A 76 13.832 2.018 -10.037 1.00 0.00 O ATOM 949 CB CYS A 76 15.095 3.327 -7.482 1.00 0.00 C ATOM 950 SG CYS A 76 16.395 4.270 -6.654 1.00 0.00 S ATOM 0 H CYS A 76 16.051 4.063 -9.622 1.00 0.00 H new ATOM 0 HA CYS A 76 16.319 1.676 -8.010 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.404 4.017 -7.965 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.524 2.773 -6.737 1.00 0.00 H new ATOM 955 N ALA A 77 14.376 0.289 -8.710 1.00 0.00 N ATOM 956 CA ALA A 77 13.393 -0.621 -9.294 1.00 0.00 C ATOM 957 C ALA A 77 13.301 -1.896 -8.487 1.00 0.00 C ATOM 958 O ALA A 77 14.242 -2.252 -7.796 1.00 0.00 O ATOM 959 CB ALA A 77 13.784 -0.962 -10.719 1.00 0.00 C ATOM 0 H ALA A 77 14.922 -0.114 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 77 12.423 -0.124 -9.287 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.046 -1.641 -11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.825 -0.049 -11.313 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.763 -1.442 -10.723 1.00 0.00 H new ATOM 965 N ALA A 78 12.163 -2.578 -8.588 1.00 0.00 N ATOM 966 CA ALA A 78 11.926 -3.850 -7.895 1.00 0.00 C ATOM 967 C ALA A 78 12.264 -3.756 -6.411 1.00 0.00 C ATOM 968 O ALA A 78 13.090 -4.518 -5.900 1.00 0.00 O ATOM 969 CB ALA A 78 12.711 -4.979 -8.560 1.00 0.00 C ATOM 0 H ALA A 78 11.374 -2.266 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 78 10.862 -4.074 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.522 -5.914 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.395 -5.079 -9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.776 -4.751 -8.525 1.00 0.00 H new ATOM 975 N GLY A 79 11.628 -2.812 -5.730 1.00 0.00 N ATOM 976 CA GLY A 79 11.875 -2.622 -4.311 1.00 0.00 C ATOM 977 C GLY A 79 13.325 -2.293 -4.007 1.00 0.00 C ATOM 978 O GLY A 79 13.892 -2.815 -3.057 1.00 0.00 O ATOM 0 H GLY A 79 10.944 -2.172 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.239 -1.818 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.592 -3.527 -3.773 1.00 0.00 H new ATOM 982 N SER A 80 13.924 -1.430 -4.815 1.00 0.00 N ATOM 983 CA SER A 80 15.316 -1.073 -4.623 1.00 0.00 C ATOM 984 C SER A 80 15.515 0.435 -4.722 1.00 0.00 C ATOM 985 O SER A 80 15.652 0.976 -5.806 1.00 0.00 O ATOM 986 CB SER A 80 16.189 -1.770 -5.660 1.00 0.00 C ATOM 987 OG SER A 80 17.527 -1.906 -5.210 1.00 0.00 O ATOM 0 H SER A 80 13.469 -0.969 -5.603 1.00 0.00 H new ATOM 0 HA SER A 80 15.608 -1.398 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.777 -2.755 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 80 16.173 -1.202 -6.590 1.00 0.00 H new ATOM 0 HG SER A 80 18.059 -2.358 -5.898 1.00 0.00 H new ATOM 993 N CYS A 81 15.470 1.092 -3.592 1.00 0.00 N ATOM 994 CA CYS A 81 15.741 2.512 -3.489 1.00 0.00 C ATOM 995 C CYS A 81 16.906 2.730 -2.520 1.00 0.00 C ATOM 996 O CYS A 81 17.079 1.965 -1.574 1.00 0.00 O ATOM 997 CB CYS A 81 14.497 3.247 -2.986 1.00 0.00 C ATOM 998 SG CYS A 81 14.748 5.011 -2.624 1.00 0.00 S ATOM 0 H CYS A 81 15.241 0.653 -2.700 1.00 0.00 H new ATOM 0 HA CYS A 81 16.005 2.905 -4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 81 13.709 3.152 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.140 2.752 -2.083 1.00 0.00 H new ATOM 1003 N LYS A 82 17.708 3.754 -2.762 1.00 0.00 N ATOM 1004 CA LYS A 82 18.845 4.044 -1.888 1.00 0.00 C ATOM 1005 C LYS A 82 18.739 5.441 -1.293 1.00 0.00 C ATOM 1006 O LYS A 82 19.725 6.008 -0.821 1.00 0.00 O ATOM 1007 CB LYS A 82 20.196 3.863 -2.614 1.00 0.00 C ATOM 1008 CG LYS A 82 20.390 4.717 -3.863 1.00 0.00 C ATOM 1009 CD LYS A 82 19.666 4.130 -5.059 1.00 0.00 C ATOM 1010 CE LYS A 82 19.998 4.883 -6.341 1.00 0.00 C ATOM 1011 NZ LYS A 82 19.356 4.270 -7.531 1.00 0.00 N ATOM 0 H LYS A 82 17.599 4.396 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 82 18.811 3.320 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.999 4.089 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.302 2.814 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.024 5.726 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.454 4.800 -4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.939 3.081 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.590 4.162 -4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 82 19.672 5.919 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.079 4.900 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.361 4.951 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.882 3.417 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.375 4.013 -7.302 1.00 0.00 H new ATOM 1025 N CYS A 83 17.546 5.992 -1.323 1.00 0.00 N ATOM 1026 CA CYS A 83 17.300 7.292 -0.736 1.00 0.00 C ATOM 1027 C CYS A 83 16.604 7.140 0.609 1.00 0.00 C ATOM 1028 O CYS A 83 17.042 7.699 1.612 1.00 0.00 O ATOM 1029 CB CYS A 83 16.467 8.169 -1.677 1.00 0.00 C ATOM 1030 SG CYS A 83 15.680 9.576 -0.872 1.00 0.00 S ATOM 0 H CYS A 83 16.727 5.558 -1.749 1.00 0.00 H new ATOM 0 HA CYS A 83 18.260 7.784 -0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 83 17.109 8.535 -2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 83 15.697 7.554 -2.142 1.00 0.00 H new ATOM 1035 N GLY A 84 15.528 6.364 0.627 1.00 0.00 N ATOM 1036 CA GLY A 84 14.793 6.160 1.854 1.00 0.00 C ATOM 1037 C GLY A 84 13.300 6.222 1.646 1.00 0.00 C ATOM 1038 O GLY A 84 12.539 5.626 2.403 1.00 0.00 O ATOM 0 H GLY A 84 15.154 5.874 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.058 5.191 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.088 6.917 2.581 1.00 0.00 H new ATOM 1042 N LYS A 85 12.878 6.936 0.606 1.00 0.00 N ATOM 1043 CA LYS A 85 11.455 7.064 0.289 1.00 0.00 C ATOM 1044 C LYS A 85 10.906 5.725 -0.101 1.00 0.00 C ATOM 1045 O LYS A 85 9.937 5.230 0.470 1.00 0.00 O ATOM 1046 CB LYS A 85 11.252 8.008 -0.892 1.00 0.00 C ATOM 1047 CG LYS A 85 11.950 9.328 -0.765 1.00 0.00 C ATOM 1048 CD LYS A 85 11.418 10.133 0.391 1.00 0.00 C ATOM 1049 CE LYS A 85 12.061 11.492 0.404 1.00 0.00 C ATOM 1050 NZ LYS A 85 13.532 11.416 0.612 1.00 0.00 N ATOM 0 H LYS A 85 13.498 7.435 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 85 10.945 7.454 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.600 7.514 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.184 8.187 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.019 9.162 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.828 9.894 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.336 10.233 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.620 9.616 1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.855 11.999 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.615 12.096 1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.923 12.377 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.732 10.896 1.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.971 10.921 -0.190 1.00 0.00 H new ATOM 1064 N GLY A 86 11.543 5.152 -1.083 1.00 0.00 N ATOM 1065 CA GLY A 86 11.111 3.887 -1.610 1.00 0.00 C ATOM 1066 C GLY A 86 10.267 4.086 -2.833 1.00 0.00 C ATOM 1067 O GLY A 86 9.131 3.622 -2.904 1.00 0.00 O ATOM 0 H GLY A 86 12.368 5.543 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.978 3.274 -1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.543 3.346 -0.853 1.00 0.00 H new ATOM 1071 N CYS A 87 10.823 4.788 -3.801 1.00 0.00 N ATOM 1072 CA CYS A 87 10.101 5.109 -5.025 1.00 0.00 C ATOM 1073 C CYS A 87 10.129 3.931 -5.971 1.00 0.00 C ATOM 1074 O CYS A 87 9.157 3.661 -6.675 1.00 0.00 O ATOM 1075 CB CYS A 87 10.724 6.324 -5.692 1.00 0.00 C ATOM 1076 SG CYS A 87 12.442 6.080 -6.173 1.00 0.00 S ATOM 0 H CYS A 87 11.776 5.150 -3.767 1.00 0.00 H new ATOM 0 HA CYS A 87 9.065 5.334 -4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 87 10.141 6.582 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.663 7.173 -5.011 1.00 0.00 H new ATOM 1081 N THR A 88 11.265 3.234 -5.971 1.00 0.00 N ATOM 1082 CA THR A 88 11.496 2.056 -6.799 1.00 0.00 C ATOM 1083 C THR A 88 11.278 2.350 -8.282 1.00 0.00 C ATOM 1084 O THR A 88 10.843 1.487 -9.043 1.00 0.00 O ATOM 1085 CB THR A 88 10.639 0.838 -6.344 1.00 0.00 C ATOM 1086 OG1 THR A 88 9.239 1.072 -6.549 1.00 0.00 O ATOM 1087 CG2 THR A 88 10.885 0.548 -4.875 1.00 0.00 C ATOM 0 H THR A 88 12.063 3.478 -5.385 1.00 0.00 H new ATOM 0 HA THR A 88 12.544 1.788 -6.663 1.00 0.00 H new ATOM 0 HB THR A 88 10.938 -0.018 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.112 1.948 -6.969 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.281 -0.305 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 88 11.940 0.321 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.611 1.420 -4.281 1.00 0.00 H new ATOM 1095 N GLY A 89 11.610 3.565 -8.686 1.00 0.00 N ATOM 1096 CA GLY A 89 11.470 3.937 -10.071 1.00 0.00 C ATOM 1097 C GLY A 89 10.925 5.334 -10.243 1.00 0.00 C ATOM 1098 O GLY A 89 10.314 5.882 -9.322 1.00 0.00 O ATOM 0 H GLY A 89 11.974 4.298 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.440 3.866 -10.563 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.808 3.229 -10.569 1.00 0.00 H new ATOM 1102 N PRO A 90 11.121 5.941 -11.430 1.00 0.00 N ATOM 1103 CA PRO A 90 10.629 7.286 -11.731 1.00 0.00 C ATOM 1104 C PRO A 90 9.112 7.342 -11.717 1.00 0.00 C ATOM 1105 O PRO A 90 8.533 8.406 -11.640 1.00 0.00 O ATOM 1106 CB PRO A 90 11.164 7.560 -13.144 1.00 0.00 C ATOM 1107 CG PRO A 90 11.395 6.212 -13.717 1.00 0.00 C ATOM 1108 CD PRO A 90 11.834 5.356 -12.570 1.00 0.00 C ATOM 0 HA PRO A 90 10.957 8.020 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.447 8.127 -13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.085 8.143 -13.115 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.486 5.819 -14.174 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.156 6.243 -14.497 1.00 0.00 H new ATOM 0 HD2 PRO A 90 11.565 4.310 -12.721 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.915 5.391 -12.431 1.00 0.00 H new ATOM 1116 N ASP A 91 8.484 6.174 -11.778 1.00 0.00 N ATOM 1117 CA ASP A 91 7.029 6.066 -11.742 1.00 0.00 C ATOM 1118 C ASP A 91 6.477 6.641 -10.444 1.00 0.00 C ATOM 1119 O ASP A 91 5.373 7.177 -10.410 1.00 0.00 O ATOM 1120 CB ASP A 91 6.594 4.601 -11.859 1.00 0.00 C ATOM 1121 CG ASP A 91 6.997 3.951 -13.162 1.00 0.00 C ATOM 1122 OD1 ASP A 91 8.107 3.381 -13.227 1.00 0.00 O ATOM 1123 OD2 ASP A 91 6.197 3.973 -14.119 1.00 0.00 O ATOM 0 H ASP A 91 8.966 5.278 -11.854 1.00 0.00 H new ATOM 0 HA ASP A 91 6.635 6.633 -12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.025 4.036 -11.033 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.511 4.543 -11.754 1.00 0.00 H new ATOM 1128 N SER A 92 7.252 6.529 -9.377 1.00 0.00 N ATOM 1129 CA SER A 92 6.813 7.004 -8.080 1.00 0.00 C ATOM 1130 C SER A 92 7.910 7.836 -7.400 1.00 0.00 C ATOM 1131 O SER A 92 7.896 8.024 -6.180 1.00 0.00 O ATOM 1132 CB SER A 92 6.412 5.806 -7.203 1.00 0.00 C ATOM 1133 OG SER A 92 5.689 6.218 -6.050 1.00 0.00 O ATOM 0 H SER A 92 8.184 6.115 -9.386 1.00 0.00 H new ATOM 0 HA SER A 92 5.946 7.651 -8.215 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.804 5.115 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.306 5.263 -6.897 1.00 0.00 H new ATOM 0 HG SER A 92 6.141 6.983 -5.637 1.00 0.00 H new ATOM 1139 N CYS A 93 8.850 8.344 -8.191 1.00 0.00 N ATOM 1140 CA CYS A 93 9.931 9.165 -7.652 1.00 0.00 C ATOM 1141 C CYS A 93 9.462 10.588 -7.447 1.00 0.00 C ATOM 1142 O CYS A 93 9.400 11.373 -8.391 1.00 0.00 O ATOM 1143 CB CYS A 93 11.162 9.148 -8.572 1.00 0.00 C ATOM 1144 SG CYS A 93 12.519 10.241 -8.041 1.00 0.00 S ATOM 0 H CYS A 93 8.886 8.204 -9.201 1.00 0.00 H new ATOM 0 HA CYS A 93 10.219 8.740 -6.690 1.00 0.00 H new ATOM 0 HB2 CYS A 93 11.539 8.127 -8.635 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.853 9.436 -9.577 1.00 0.00 H new ATOM 1149 N LYS A 94 9.117 10.912 -6.219 1.00 0.00 N ATOM 1150 CA LYS A 94 8.665 12.250 -5.881 1.00 0.00 C ATOM 1151 C LYS A 94 9.860 13.106 -5.467 1.00 0.00 C ATOM 1152 O LYS A 94 9.709 14.132 -4.801 1.00 0.00 O ATOM 1153 CB LYS A 94 7.633 12.184 -4.744 1.00 0.00 C ATOM 1154 CG LYS A 94 6.442 11.274 -5.042 1.00 0.00 C ATOM 1155 CD LYS A 94 5.434 11.262 -3.892 1.00 0.00 C ATOM 1156 CE LYS A 94 4.298 10.302 -4.164 1.00 0.00 C ATOM 1157 NZ LYS A 94 3.528 10.681 -5.376 1.00 0.00 N ATOM 0 H LYS A 94 9.140 10.264 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 94 8.192 12.702 -6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.127 11.834 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.267 13.190 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.948 11.609 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.797 10.260 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.938 10.979 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.036 12.266 -3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.696 9.295 -4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.630 10.277 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.656 10.116 -5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.285 11.691 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.104 10.501 -6.223 1.00 0.00 H new ATOM 1171 N CYS A 95 11.040 12.681 -5.894 1.00 0.00 N ATOM 1172 CA CYS A 95 12.278 13.342 -5.546 1.00 0.00 C ATOM 1173 C CYS A 95 12.883 14.048 -6.741 1.00 0.00 C ATOM 1174 O CYS A 95 12.553 13.751 -7.900 1.00 0.00 O ATOM 1175 CB CYS A 95 13.272 12.325 -5.012 1.00 0.00 C ATOM 1176 SG CYS A 95 12.639 11.330 -3.660 1.00 0.00 S ATOM 0 H CYS A 95 11.161 11.865 -6.493 1.00 0.00 H new ATOM 0 HA CYS A 95 12.055 14.086 -4.781 1.00 0.00 H new ATOM 0 HB2 CYS A 95 13.574 11.665 -5.825 1.00 0.00 H new ATOM 0 HB3 CYS A 95 14.168 12.848 -4.677 1.00 0.00 H new ATOM 1181 N ASP A 96 13.763 14.991 -6.453 1.00 0.00 N ATOM 1182 CA ASP A 96 14.464 15.741 -7.465 1.00 0.00 C ATOM 1183 C ASP A 96 15.362 14.842 -8.275 1.00 0.00 C ATOM 1184 O ASP A 96 15.778 13.771 -7.825 1.00 0.00 O ATOM 1185 CB ASP A 96 15.276 16.851 -6.829 1.00 0.00 C ATOM 1186 CG ASP A 96 14.430 17.763 -5.968 1.00 0.00 C ATOM 1187 OD1 ASP A 96 14.129 17.381 -4.813 1.00 0.00 O ATOM 1188 OD2 ASP A 96 14.064 18.850 -6.443 1.00 0.00 O ATOM 0 H ASP A 96 14.009 15.256 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 96 13.725 16.181 -8.134 1.00 0.00 H new ATOM 0 HB2 ASP A 96 16.069 16.415 -6.222 1.00 0.00 H new ATOM 0 HB3 ASP A 96 15.759 17.438 -7.610 1.00 0.00 H new ATOM 1193 N ARG A 97 15.687 15.292 -9.459 1.00 0.00 N ATOM 1194 CA ARG A 97 16.494 14.515 -10.386 1.00 0.00 C ATOM 1195 C ARG A 97 17.937 14.425 -9.934 1.00 0.00 C ATOM 1196 O ARG A 97 18.722 13.651 -10.468 1.00 0.00 O ATOM 1197 CB ARG A 97 16.426 15.119 -11.772 1.00 0.00 C ATOM 1198 CG ARG A 97 16.961 16.530 -11.862 1.00 0.00 C ATOM 1199 CD ARG A 97 16.664 17.137 -13.215 1.00 0.00 C ATOM 1200 NE ARG A 97 17.748 17.995 -13.677 1.00 0.00 N ATOM 1201 CZ ARG A 97 17.759 18.628 -14.850 1.00 0.00 C ATOM 1202 NH1 ARG A 97 16.690 18.594 -15.643 1.00 0.00 N ATOM 1203 NH2 ARG A 97 18.830 19.318 -15.217 1.00 0.00 N ATOM 0 H ARG A 97 15.404 16.205 -9.815 1.00 0.00 H new ATOM 0 HA ARG A 97 16.086 13.504 -10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.987 14.486 -12.460 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.389 15.114 -12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.515 17.143 -11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 97 18.037 16.526 -11.689 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.497 16.341 -13.941 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.742 17.716 -13.158 1.00 0.00 H new ATOM 0 HE ARG A 97 18.552 18.119 -13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.857 18.082 -15.354 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.704 19.080 -16.539 1.00 0.00 H new ATOM 0 HH21 ARG A 97 19.643 19.363 -14.602 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.841 19.803 -16.114 1.00 0.00 H new ATOM 1217 N SER A 98 18.268 15.207 -8.959 1.00 0.00 N ATOM 1218 CA SER A 98 19.596 15.245 -8.432 1.00 0.00 C ATOM 1219 C SER A 98 19.571 14.849 -6.961 1.00 0.00 C ATOM 1220 O SER A 98 20.342 15.362 -6.155 1.00 0.00 O ATOM 1221 CB SER A 98 20.139 16.655 -8.601 1.00 0.00 C ATOM 1222 OG SER A 98 20.235 17.008 -9.974 1.00 0.00 O ATOM 0 H SER A 98 17.618 15.845 -8.500 1.00 0.00 H new ATOM 0 HA SER A 98 20.240 14.544 -8.963 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.489 17.362 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 98 21.122 16.727 -8.135 1.00 0.00 H new ATOM 0 HG SER A 98 20.585 17.920 -10.054 1.00 0.00 H new ATOM 1228 N CYS A 99 18.695 13.908 -6.624 1.00 0.00 N ATOM 1229 CA CYS A 99 18.520 13.513 -5.234 1.00 0.00 C ATOM 1230 C CYS A 99 19.525 12.423 -4.816 1.00 0.00 C ATOM 1231 O CYS A 99 20.445 12.102 -5.563 1.00 0.00 O ATOM 1232 CB CYS A 99 17.091 13.045 -5.001 1.00 0.00 C ATOM 1233 SG CYS A 99 16.647 12.923 -3.265 1.00 0.00 S ATOM 0 H CYS A 99 18.102 13.410 -7.288 1.00 0.00 H new ATOM 0 HA CYS A 99 18.715 14.386 -4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 99 16.407 13.735 -5.495 1.00 0.00 H new ATOM 0 HB3 CYS A 99 16.956 12.071 -5.471 1.00 0.00 H new ATOM 1238 N SER A 100 19.319 11.854 -3.619 1.00 0.00 N ATOM 1239 CA SER A 100 20.209 10.848 -3.062 1.00 0.00 C ATOM 1240 C SER A 100 20.143 9.557 -3.864 1.00 0.00 C ATOM 1241 O SER A 100 21.118 8.808 -3.939 1.00 0.00 O ATOM 1242 CB SER A 100 19.838 10.589 -1.603 1.00 0.00 C ATOM 1243 OG SER A 100 19.766 11.811 -0.886 1.00 0.00 O ATOM 0 H SER A 100 18.528 12.084 -3.017 1.00 0.00 H new ATOM 0 HA SER A 100 21.232 11.220 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.879 10.073 -1.551 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.578 9.934 -1.144 1.00 0.00 H new ATOM 0 HG SER A 100 18.920 11.852 -0.393 1.00 0.00 H new ATOM 1249 N CYS A 101 18.992 9.285 -4.441 1.00 0.00 N ATOM 1250 CA CYS A 101 18.841 8.133 -5.291 1.00 0.00 C ATOM 1251 C CYS A 101 19.088 8.536 -6.733 1.00 0.00 C ATOM 1252 O CYS A 101 19.685 7.794 -7.508 1.00 0.00 O ATOM 1253 CB CYS A 101 17.449 7.519 -5.129 1.00 0.00 C ATOM 1254 SG CYS A 101 16.094 8.702 -5.277 1.00 0.00 S ATOM 0 H CYS A 101 18.149 9.849 -4.334 1.00 0.00 H new ATOM 0 HA CYS A 101 19.571 7.377 -5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 101 17.319 6.739 -5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 101 17.389 7.036 -4.154 1.00 0.00 H new ATOM 1259 N LYS A 102 18.627 9.721 -7.075 1.00 0.00 N ATOM 1260 CA LYS A 102 18.797 10.266 -8.388 1.00 0.00 C ATOM 1261 C LYS A 102 20.078 11.082 -8.490 1.00 0.00 C ATOM 1262 O LYS A 102 21.131 10.491 -8.840 1.00 0.00 O ATOM 1263 CB LYS A 102 17.610 11.120 -8.716 1.00 0.00 C ATOM 1264 CG LYS A 102 17.044 10.805 -10.054 1.00 0.00 C ATOM 1265 CD LYS A 102 15.550 10.853 -10.022 1.00 0.00 C ATOM 1266 CE LYS A 102 14.949 10.419 -11.326 1.00 0.00 C ATOM 1267 NZ LYS A 102 13.481 10.601 -11.325 1.00 0.00 N ATOM 0 H LYS A 102 18.119 10.333 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 102 18.875 9.446 -9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.842 10.979 -7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.900 12.170 -8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.420 11.516 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.374 9.815 -10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.183 10.211 -9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.224 11.867 -9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.389 10.993 -12.141 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.188 9.371 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.042 9.886 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.119 10.494 -10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.249 11.551 -11.679 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 14.067 8.195 -7.379 1.00 0.00 CD HETATM 1283 CD CD A 202 14.912 5.891 -5.047 1.00 0.00 CD HETATM 1284 CD CD A 203 15.260 10.607 -3.267 1.00 0.00 CD HETATM 1285 CD CD A 204 7.529 17.874 -15.221 1.00 0.00 CD HETATM 1286 CD CD A 205 10.090 20.686 -13.424 1.00 0.00 CD HETATM 1287 CD CD A 206 11.042 19.500 -17.292 1.00 0.00 CD HETATM 1288 CD CD A 207 8.746 23.747 4.312 1.00 0.00 CD HETATM 1289 CD CD A 208 6.676 26.036 1.680 1.00 0.00 CD HETATM 1290 CD CD A 209 7.979 22.193 0.588 1.00 0.00 CD