USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=29 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 180:sc= -0.102 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.0253 USER MOD Set 2.1: A 3 MET CE :methyl -156:sc= -0.127 (180deg=-0.6) USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -173:sc= -0.0803 (180deg=-0.227) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -146:sc= 0.065 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 1.29 (180deg=1.27) USER MOD Single : A 17 GLN : amide:sc= -2.86 X(o=-2.9,f=-2.8) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 24 THR OG1 : rot -21:sc= 0.403 USER MOD Single : A 25 SER OG : rot -31:sc= 0.681 USER MOD Single : A 28 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.21) USER MOD Single : A 30 THR OG1 : rot 120:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.882 K(o=-0.88,f=-0.0025) USER MOD Single : A 37 SER OG : rot 90:sc= 0.957 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 146:sc= -0.931 (180deg=-2.48!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -30:sc= 0.241 USER MOD Single : A 60 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.024) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.22 K(o=-2.2,f=-0.15) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 96:sc= 1.25 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.088 USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.0907 (180deg=-0.475) USER MOD Single : A 80 SER OG : rot 93:sc= 0.277 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= -0.0233 (180deg=-0.267) USER MOD Single : A 88 THR OG1 : rot 7:sc= 0.878 USER MOD Single : A 92 SER OG : rot 63:sc= 0.792 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 154:sc= 1.28 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 142:sc= -0.202 (180deg=-0.789) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.497 8.455 3.497 1.00 0.00 N ATOM 2 CA GLY A 1 19.558 7.853 4.361 1.00 0.00 C ATOM 3 C GLY A 1 19.831 8.681 5.600 1.00 0.00 C ATOM 4 O GLY A 1 20.361 8.176 6.594 1.00 0.00 O ATOM 0 H1 GLY A 1 18.262 7.797 2.727 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.647 8.638 4.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.843 9.349 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.255 6.849 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.478 7.751 3.785 1.00 0.00 H new ATOM 7 N SER A 2 19.468 9.946 5.543 1.00 0.00 N ATOM 8 CA SER A 2 19.662 10.849 6.657 1.00 0.00 C ATOM 9 C SER A 2 18.430 11.727 6.838 1.00 0.00 C ATOM 10 O SER A 2 17.563 11.774 5.959 1.00 0.00 O ATOM 11 CB SER A 2 20.909 11.707 6.428 1.00 0.00 C ATOM 12 OG SER A 2 20.861 12.353 5.164 1.00 0.00 O ATOM 0 H SER A 2 19.032 10.375 4.727 1.00 0.00 H new ATOM 0 HA SER A 2 19.808 10.266 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.991 12.453 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.800 11.082 6.487 1.00 0.00 H new ATOM 0 HG SER A 2 21.668 12.896 5.043 1.00 0.00 H new ATOM 18 N MET A 3 18.348 12.414 7.969 1.00 0.00 N ATOM 19 CA MET A 3 17.213 13.283 8.249 1.00 0.00 C ATOM 20 C MET A 3 17.262 14.519 7.357 1.00 0.00 C ATOM 21 O MET A 3 18.156 15.361 7.484 1.00 0.00 O ATOM 22 CB MET A 3 17.191 13.674 9.739 1.00 0.00 C ATOM 23 CG MET A 3 15.939 14.439 10.179 1.00 0.00 C ATOM 24 SD MET A 3 16.025 16.215 9.849 1.00 0.00 S ATOM 25 CE MET A 3 17.310 16.708 11.001 1.00 0.00 C ATOM 0 H MET A 3 19.052 12.387 8.706 1.00 0.00 H new ATOM 0 HA MET A 3 16.292 12.743 8.029 1.00 0.00 H new ATOM 0 HB2 MET A 3 17.278 12.769 10.340 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.068 14.284 9.954 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.071 14.024 9.667 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.784 14.283 11.247 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.199 17.766 11.239 1.00 0.00 H new ATOM 0 HE2 MET A 3 17.225 16.119 11.914 1.00 0.00 H new ATOM 0 HE3 MET A 3 18.288 16.539 10.550 1.00 0.00 H new ATOM 35 N SER A 4 16.315 14.607 6.440 1.00 0.00 N ATOM 36 CA SER A 4 16.252 15.715 5.514 1.00 0.00 C ATOM 37 C SER A 4 15.689 16.958 6.197 1.00 0.00 C ATOM 38 O SER A 4 14.481 17.053 6.440 1.00 0.00 O ATOM 39 CB SER A 4 15.385 15.341 4.310 1.00 0.00 C ATOM 40 OG SER A 4 15.801 14.103 3.744 1.00 0.00 O ATOM 0 H SER A 4 15.575 13.916 6.319 1.00 0.00 H new ATOM 0 HA SER A 4 17.263 15.938 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 4 14.341 15.272 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.444 16.127 3.557 1.00 0.00 H new ATOM 0 HG SER A 4 15.230 13.886 2.978 1.00 0.00 H new ATOM 46 N SER A 5 16.562 17.898 6.519 1.00 0.00 N ATOM 47 CA SER A 5 16.140 19.136 7.141 1.00 0.00 C ATOM 48 C SER A 5 15.570 20.069 6.084 1.00 0.00 C ATOM 49 O SER A 5 16.182 21.068 5.707 1.00 0.00 O ATOM 50 CB SER A 5 17.306 19.786 7.872 1.00 0.00 C ATOM 51 OG SER A 5 17.990 18.830 8.667 1.00 0.00 O ATOM 0 H SER A 5 17.567 17.825 6.359 1.00 0.00 H new ATOM 0 HA SER A 5 15.362 18.924 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.994 20.227 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.941 20.597 8.502 1.00 0.00 H new ATOM 0 HG SER A 5 18.738 19.264 9.129 1.00 0.00 H new ATOM 57 N VAL A 6 14.406 19.705 5.598 1.00 0.00 N ATOM 58 CA VAL A 6 13.737 20.433 4.551 1.00 0.00 C ATOM 59 C VAL A 6 12.991 21.645 5.115 1.00 0.00 C ATOM 60 O VAL A 6 12.868 22.676 4.457 1.00 0.00 O ATOM 61 CB VAL A 6 12.763 19.490 3.791 1.00 0.00 C ATOM 62 CG1 VAL A 6 11.587 19.066 4.665 1.00 0.00 C ATOM 63 CG2 VAL A 6 12.289 20.113 2.495 1.00 0.00 C ATOM 0 H VAL A 6 13.893 18.886 5.924 1.00 0.00 H new ATOM 0 HA VAL A 6 14.486 20.803 3.851 1.00 0.00 H new ATOM 0 HB VAL A 6 13.321 18.588 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.930 18.408 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.958 18.538 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.031 19.949 4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.610 19.427 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.769 21.047 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.147 20.314 1.853 1.00 0.00 H new ATOM 73 N PHE A 7 12.530 21.521 6.347 1.00 0.00 N ATOM 74 CA PHE A 7 11.798 22.586 7.001 1.00 0.00 C ATOM 75 C PHE A 7 12.744 23.662 7.514 1.00 0.00 C ATOM 76 O PHE A 7 13.896 23.383 7.856 1.00 0.00 O ATOM 77 CB PHE A 7 10.941 22.028 8.154 1.00 0.00 C ATOM 78 CG PHE A 7 11.684 21.068 9.060 1.00 0.00 C ATOM 79 CD1 PHE A 7 12.509 21.537 10.071 1.00 0.00 C ATOM 80 CD2 PHE A 7 11.552 19.698 8.894 1.00 0.00 C ATOM 81 CE1 PHE A 7 13.188 20.660 10.895 1.00 0.00 C ATOM 82 CE2 PHE A 7 12.228 18.817 9.716 1.00 0.00 C ATOM 83 CZ PHE A 7 13.047 19.299 10.718 1.00 0.00 C ATOM 0 H PHE A 7 12.652 20.684 6.917 1.00 0.00 H new ATOM 0 HA PHE A 7 11.135 23.040 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 7 10.566 22.860 8.751 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.073 21.519 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.622 22.601 10.216 1.00 0.00 H new ATOM 0 HD2 PHE A 7 10.913 19.315 8.112 1.00 0.00 H new ATOM 0 HE1 PHE A 7 13.829 21.040 11.677 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.116 17.752 9.575 1.00 0.00 H new ATOM 0 HZ PHE A 7 13.576 18.612 11.362 1.00 0.00 H new ATOM 93 N GLY A 8 12.260 24.885 7.541 1.00 0.00 N ATOM 94 CA GLY A 8 13.041 25.987 8.042 1.00 0.00 C ATOM 95 C GLY A 8 12.814 26.210 9.519 1.00 0.00 C ATOM 96 O GLY A 8 13.020 25.310 10.329 1.00 0.00 O ATOM 0 H GLY A 8 11.326 25.138 7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.099 25.794 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.784 26.893 7.494 1.00 0.00 H new ATOM 100 N ALA A 9 12.366 27.400 9.868 1.00 0.00 N ATOM 101 CA ALA A 9 12.104 27.738 11.258 1.00 0.00 C ATOM 102 C ALA A 9 10.659 28.156 11.436 1.00 0.00 C ATOM 103 O ALA A 9 10.200 28.401 12.549 1.00 0.00 O ATOM 104 CB ALA A 9 13.037 28.848 11.717 1.00 0.00 C ATOM 0 H ALA A 9 12.174 28.153 9.207 1.00 0.00 H new ATOM 0 HA ALA A 9 12.287 26.855 11.870 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.829 29.090 12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.071 28.517 11.621 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.880 29.733 11.101 1.00 0.00 H new ATOM 110 N GLY A 10 9.946 28.232 10.332 1.00 0.00 N ATOM 111 CA GLY A 10 8.566 28.633 10.369 1.00 0.00 C ATOM 112 C GLY A 10 7.844 28.254 9.106 1.00 0.00 C ATOM 113 O GLY A 10 7.314 29.118 8.399 1.00 0.00 O ATOM 0 H GLY A 10 10.304 28.020 9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.074 28.167 11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.504 29.711 10.514 1.00 0.00 H new ATOM 117 N CYS A 11 7.839 26.967 8.799 1.00 0.00 N ATOM 118 CA CYS A 11 7.156 26.484 7.622 1.00 0.00 C ATOM 119 C CYS A 11 5.686 26.330 7.894 1.00 0.00 C ATOM 120 O CYS A 11 5.256 26.278 9.051 1.00 0.00 O ATOM 121 CB CYS A 11 7.720 25.140 7.182 1.00 0.00 C ATOM 122 SG CYS A 11 9.437 25.195 6.687 1.00 0.00 S ATOM 0 H CYS A 11 8.301 26.244 9.350 1.00 0.00 H new ATOM 0 HA CYS A 11 7.307 27.215 6.828 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.611 24.427 8.000 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.125 24.763 6.350 1.00 0.00 H new ATOM 127 N THR A 12 4.917 26.261 6.848 1.00 0.00 N ATOM 128 CA THR A 12 3.513 26.030 6.977 1.00 0.00 C ATOM 129 C THR A 12 3.279 24.545 7.141 1.00 0.00 C ATOM 130 O THR A 12 4.184 23.735 6.905 1.00 0.00 O ATOM 131 CB THR A 12 2.762 26.512 5.728 1.00 0.00 C ATOM 132 OG1 THR A 12 3.238 25.800 4.577 1.00 0.00 O ATOM 133 CG2 THR A 12 2.963 27.997 5.528 1.00 0.00 C ATOM 0 H THR A 12 5.245 26.363 5.888 1.00 0.00 H new ATOM 0 HA THR A 12 3.145 26.581 7.842 1.00 0.00 H new ATOM 0 HB THR A 12 1.698 26.320 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.215 26.390 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.423 28.321 4.638 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.585 28.536 6.397 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.025 28.207 5.404 1.00 0.00 H new ATOM 141 N ASP A 13 2.091 24.171 7.533 1.00 0.00 N ATOM 142 CA ASP A 13 1.765 22.760 7.626 1.00 0.00 C ATOM 143 C ASP A 13 1.376 22.261 6.257 1.00 0.00 C ATOM 144 O ASP A 13 1.127 21.081 6.042 1.00 0.00 O ATOM 145 CB ASP A 13 0.660 22.510 8.642 1.00 0.00 C ATOM 146 CG ASP A 13 1.117 22.797 10.051 1.00 0.00 C ATOM 147 OD1 ASP A 13 0.556 23.713 10.690 1.00 0.00 O ATOM 148 OD2 ASP A 13 2.055 22.116 10.525 1.00 0.00 O ATOM 0 H ASP A 13 1.337 24.808 7.791 1.00 0.00 H new ATOM 0 HA ASP A 13 2.639 22.211 7.976 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.200 23.136 8.405 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.329 21.474 8.571 1.00 0.00 H new ATOM 153 N VAL A 14 1.357 23.195 5.327 1.00 0.00 N ATOM 154 CA VAL A 14 1.053 22.937 3.950 1.00 0.00 C ATOM 155 C VAL A 14 2.334 22.511 3.219 1.00 0.00 C ATOM 156 O VAL A 14 2.292 21.783 2.227 1.00 0.00 O ATOM 157 CB VAL A 14 0.471 24.212 3.293 1.00 0.00 C ATOM 158 CG1 VAL A 14 -0.031 23.932 1.902 1.00 0.00 C ATOM 159 CG2 VAL A 14 -0.641 24.795 4.152 1.00 0.00 C ATOM 0 H VAL A 14 1.559 24.176 5.522 1.00 0.00 H new ATOM 0 HA VAL A 14 0.315 22.138 3.884 1.00 0.00 H new ATOM 0 HB VAL A 14 1.275 24.944 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.433 24.848 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.791 23.569 1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.815 23.176 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.038 25.691 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.438 24.060 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.245 25.053 5.134 1.00 0.00 H new ATOM 169 N CYS A 15 3.469 22.958 3.747 1.00 0.00 N ATOM 170 CA CYS A 15 4.782 22.628 3.196 1.00 0.00 C ATOM 171 C CYS A 15 5.114 21.163 3.463 1.00 0.00 C ATOM 172 O CYS A 15 5.737 20.486 2.646 1.00 0.00 O ATOM 173 CB CYS A 15 5.848 23.527 3.840 1.00 0.00 C ATOM 174 SG CYS A 15 7.548 23.164 3.347 1.00 0.00 S ATOM 0 H CYS A 15 3.506 23.560 4.570 1.00 0.00 H new ATOM 0 HA CYS A 15 4.767 22.793 2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.626 24.565 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.772 23.437 4.924 1.00 0.00 H new ATOM 179 N LYS A 16 4.651 20.672 4.605 1.00 0.00 N ATOM 180 CA LYS A 16 4.921 19.304 5.031 1.00 0.00 C ATOM 181 C LYS A 16 4.018 18.315 4.305 1.00 0.00 C ATOM 182 O LYS A 16 4.106 17.101 4.517 1.00 0.00 O ATOM 183 CB LYS A 16 4.745 19.198 6.539 1.00 0.00 C ATOM 184 CG LYS A 16 5.550 20.242 7.290 1.00 0.00 C ATOM 185 CD LYS A 16 5.112 20.365 8.729 1.00 0.00 C ATOM 186 CE LYS A 16 5.342 21.777 9.228 1.00 0.00 C ATOM 187 NZ LYS A 16 4.760 21.990 10.581 1.00 0.00 N ATOM 0 H LYS A 16 4.080 21.207 5.260 1.00 0.00 H new ATOM 0 HA LYS A 16 5.950 19.051 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.690 19.309 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.047 18.204 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.607 19.980 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.444 21.207 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.057 20.107 8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.666 19.658 9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.412 21.982 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.901 22.486 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.147 22.863 10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.726 22.072 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.000 21.184 11.193 1.00 0.00 H new ATOM 201 N GLN A 17 3.143 18.839 3.458 1.00 0.00 N ATOM 202 CA GLN A 17 2.278 18.001 2.637 1.00 0.00 C ATOM 203 C GLN A 17 3.106 17.258 1.593 1.00 0.00 C ATOM 204 O GLN A 17 4.293 17.522 1.417 1.00 0.00 O ATOM 205 CB GLN A 17 1.200 18.832 1.925 1.00 0.00 C ATOM 206 CG GLN A 17 0.089 19.349 2.823 1.00 0.00 C ATOM 207 CD GLN A 17 -0.950 20.160 2.052 1.00 0.00 C ATOM 208 OE1 GLN A 17 -1.177 19.936 0.865 1.00 0.00 O ATOM 209 NE2 GLN A 17 -1.588 21.092 2.732 1.00 0.00 N ATOM 0 H GLN A 17 3.013 19.841 3.321 1.00 0.00 H new ATOM 0 HA GLN A 17 1.786 17.289 3.299 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.680 19.682 1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.756 18.224 1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.401 18.507 3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.520 19.969 3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.369 21.245 3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.301 21.660 2.274 1.00 0.00 H new ATOM 218 N THR A 18 2.480 16.343 0.907 1.00 0.00 N ATOM 219 CA THR A 18 3.141 15.571 -0.129 1.00 0.00 C ATOM 220 C THR A 18 2.110 15.113 -1.156 1.00 0.00 C ATOM 221 O THR A 18 1.293 14.237 -0.877 1.00 0.00 O ATOM 222 CB THR A 18 3.904 14.359 0.455 1.00 0.00 C ATOM 223 OG1 THR A 18 4.848 14.821 1.442 1.00 0.00 O ATOM 224 CG2 THR A 18 4.654 13.609 -0.641 1.00 0.00 C ATOM 0 H THR A 18 1.498 16.105 1.044 1.00 0.00 H new ATOM 0 HA THR A 18 3.880 16.210 -0.613 1.00 0.00 H new ATOM 0 HB THR A 18 3.181 13.682 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.332 14.055 1.815 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.183 12.761 -0.205 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.945 13.250 -1.387 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.371 14.279 -1.115 1.00 0.00 H new ATOM 232 N PRO A 19 2.123 15.706 -2.363 1.00 0.00 N ATOM 233 CA PRO A 19 3.127 16.704 -2.766 1.00 0.00 C ATOM 234 C PRO A 19 2.991 17.993 -1.988 1.00 0.00 C ATOM 235 O PRO A 19 1.961 18.230 -1.344 1.00 0.00 O ATOM 236 CB PRO A 19 2.819 16.945 -4.242 1.00 0.00 C ATOM 237 CG PRO A 19 1.381 16.604 -4.382 1.00 0.00 C ATOM 238 CD PRO A 19 1.121 15.495 -3.402 1.00 0.00 C ATOM 0 HA PRO A 19 4.143 16.357 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.011 17.980 -4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.440 16.320 -4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.752 17.469 -4.169 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.152 16.287 -5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.110 15.547 -2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.229 14.516 -3.868 1.00 0.00 H new ATOM 246 N CYS A 20 4.023 18.811 -2.040 1.00 0.00 N ATOM 247 CA CYS A 20 4.043 20.062 -1.321 1.00 0.00 C ATOM 248 C CYS A 20 2.803 20.874 -1.634 1.00 0.00 C ATOM 249 O CYS A 20 2.570 21.277 -2.781 1.00 0.00 O ATOM 250 CB CYS A 20 5.288 20.844 -1.663 1.00 0.00 C ATOM 251 SG CYS A 20 5.578 22.251 -0.589 1.00 0.00 S ATOM 0 H CYS A 20 4.867 18.625 -2.581 1.00 0.00 H new ATOM 0 HA CYS A 20 4.052 19.847 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.149 20.178 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.214 21.194 -2.693 1.00 0.00 H new ATOM 256 N GLY A 21 2.019 21.115 -0.611 1.00 0.00 N ATOM 257 CA GLY A 21 0.765 21.774 -0.783 1.00 0.00 C ATOM 258 C GLY A 21 0.899 23.240 -1.107 1.00 0.00 C ATOM 259 O GLY A 21 -0.024 23.834 -1.644 1.00 0.00 O ATOM 0 H GLY A 21 2.237 20.859 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.211 21.282 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.177 21.663 0.128 1.00 0.00 H new ATOM 263 N CYS A 22 2.053 23.828 -0.802 1.00 0.00 N ATOM 264 CA CYS A 22 2.276 25.256 -1.066 1.00 0.00 C ATOM 265 C CYS A 22 2.098 25.582 -2.549 1.00 0.00 C ATOM 266 O CYS A 22 1.772 26.710 -2.914 1.00 0.00 O ATOM 267 CB CYS A 22 3.668 25.685 -0.602 1.00 0.00 C ATOM 268 SG CYS A 22 3.896 25.713 1.193 1.00 0.00 S ATOM 0 H CYS A 22 2.845 23.347 -0.375 1.00 0.00 H new ATOM 0 HA CYS A 22 1.529 25.812 -0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.405 25.009 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.876 26.680 -0.996 1.00 0.00 H new ATOM 273 N ALA A 23 2.284 24.580 -3.396 1.00 0.00 N ATOM 274 CA ALA A 23 2.163 24.753 -4.834 1.00 0.00 C ATOM 275 C ALA A 23 0.706 24.944 -5.267 1.00 0.00 C ATOM 276 O ALA A 23 0.436 25.559 -6.298 1.00 0.00 O ATOM 277 CB ALA A 23 2.771 23.565 -5.556 1.00 0.00 C ATOM 0 H ALA A 23 2.521 23.631 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 23 2.707 25.658 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.675 23.705 -6.633 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.826 23.481 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.250 22.654 -5.261 1.00 0.00 H new ATOM 283 N THR A 24 -0.226 24.427 -4.478 1.00 0.00 N ATOM 284 CA THR A 24 -1.639 24.511 -4.831 1.00 0.00 C ATOM 285 C THR A 24 -2.457 25.236 -3.754 1.00 0.00 C ATOM 286 O THR A 24 -3.637 25.521 -3.951 1.00 0.00 O ATOM 287 CB THR A 24 -2.239 23.095 -5.081 1.00 0.00 C ATOM 288 OG1 THR A 24 -3.606 23.197 -5.518 1.00 0.00 O ATOM 289 CG2 THR A 24 -2.174 22.242 -3.818 1.00 0.00 C ATOM 0 H THR A 24 -0.034 23.949 -3.598 1.00 0.00 H new ATOM 0 HA THR A 24 -1.698 25.091 -5.752 1.00 0.00 H new ATOM 0 HB THR A 24 -1.645 22.617 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.973 24.064 -5.246 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.599 21.259 -4.021 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.135 22.131 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.741 22.726 -3.023 1.00 0.00 H new ATOM 297 N SER A 25 -1.837 25.531 -2.628 1.00 0.00 N ATOM 298 CA SER A 25 -2.532 26.183 -1.534 1.00 0.00 C ATOM 299 C SER A 25 -1.828 27.475 -1.113 1.00 0.00 C ATOM 300 O SER A 25 -2.248 28.138 -0.162 1.00 0.00 O ATOM 301 CB SER A 25 -2.646 25.217 -0.348 1.00 0.00 C ATOM 302 OG SER A 25 -3.330 25.807 0.744 1.00 0.00 O ATOM 0 H SER A 25 -0.854 25.330 -2.446 1.00 0.00 H new ATOM 0 HA SER A 25 -3.531 26.455 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.171 24.315 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.649 24.911 -0.031 1.00 0.00 H new ATOM 0 HG SER A 25 -3.159 26.772 0.754 1.00 0.00 H new ATOM 308 N GLY A 26 -0.766 27.830 -1.816 1.00 0.00 N ATOM 309 CA GLY A 26 -0.048 29.042 -1.495 1.00 0.00 C ATOM 310 C GLY A 26 1.061 28.809 -0.496 1.00 0.00 C ATOM 311 O GLY A 26 0.952 27.949 0.378 1.00 0.00 O ATOM 0 H GLY A 26 -0.389 27.301 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.372 29.464 -2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.745 29.778 -1.095 1.00 0.00 H new ATOM 315 N CYS A 27 2.128 29.558 -0.638 1.00 0.00 N ATOM 316 CA CYS A 27 3.268 29.461 0.262 1.00 0.00 C ATOM 317 C CYS A 27 3.229 30.576 1.304 1.00 0.00 C ATOM 318 O CYS A 27 2.673 31.647 1.055 1.00 0.00 O ATOM 319 CB CYS A 27 4.572 29.538 -0.533 1.00 0.00 C ATOM 320 SG CYS A 27 6.061 29.574 0.491 1.00 0.00 S ATOM 0 H CYS A 27 2.237 30.253 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 27 3.218 28.502 0.778 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.627 28.681 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.552 30.431 -1.157 1.00 0.00 H new ATOM 325 N ASN A 28 3.812 30.315 2.472 1.00 0.00 N ATOM 326 CA ASN A 28 3.862 31.307 3.548 1.00 0.00 C ATOM 327 C ASN A 28 5.051 31.022 4.483 1.00 0.00 C ATOM 328 O ASN A 28 5.141 31.553 5.589 1.00 0.00 O ATOM 329 CB ASN A 28 2.524 31.308 4.326 1.00 0.00 C ATOM 330 CG ASN A 28 2.398 32.456 5.321 1.00 0.00 C ATOM 331 OD1 ASN A 28 2.088 33.585 4.942 1.00 0.00 O ATOM 332 ND2 ASN A 28 2.601 32.168 6.599 1.00 0.00 N ATOM 0 H ASN A 28 4.257 29.426 2.699 1.00 0.00 H new ATOM 0 HA ASN A 28 4.007 32.297 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.700 31.362 3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.423 30.363 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.501 32.895 7.308 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.857 31.220 6.874 1.00 0.00 H new ATOM 339 N CYS A 29 5.977 30.203 4.016 1.00 0.00 N ATOM 340 CA CYS A 29 7.140 29.839 4.816 1.00 0.00 C ATOM 341 C CYS A 29 8.123 30.989 4.903 1.00 0.00 C ATOM 342 O CYS A 29 8.086 31.913 4.090 1.00 0.00 O ATOM 343 CB CYS A 29 7.830 28.623 4.217 1.00 0.00 C ATOM 344 SG CYS A 29 6.758 27.197 4.048 1.00 0.00 S ATOM 0 H CYS A 29 5.949 29.777 3.090 1.00 0.00 H new ATOM 0 HA CYS A 29 6.794 29.601 5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.226 28.887 3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 29 8.681 28.354 4.843 1.00 0.00 H new ATOM 349 N THR A 30 8.990 30.939 5.892 1.00 0.00 N ATOM 350 CA THR A 30 10.001 31.952 6.059 1.00 0.00 C ATOM 351 C THR A 30 11.208 31.632 5.179 1.00 0.00 C ATOM 352 O THR A 30 11.257 30.571 4.551 1.00 0.00 O ATOM 353 CB THR A 30 10.439 32.058 7.534 1.00 0.00 C ATOM 354 OG1 THR A 30 10.899 30.782 8.007 1.00 0.00 O ATOM 355 CG2 THR A 30 9.287 32.536 8.406 1.00 0.00 C ATOM 0 H THR A 30 9.012 30.201 6.595 1.00 0.00 H new ATOM 0 HA THR A 30 9.578 32.911 5.759 1.00 0.00 H new ATOM 0 HB THR A 30 11.251 32.782 7.595 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.835 30.855 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.619 32.603 9.442 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.956 33.518 8.066 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.460 31.830 8.335 1.00 0.00 H new ATOM 363 N ASP A 31 12.187 32.528 5.145 1.00 0.00 N ATOM 364 CA ASP A 31 13.379 32.331 4.310 1.00 0.00 C ATOM 365 C ASP A 31 14.234 31.184 4.817 1.00 0.00 C ATOM 366 O ASP A 31 15.131 30.711 4.124 1.00 0.00 O ATOM 367 CB ASP A 31 14.217 33.600 4.236 1.00 0.00 C ATOM 368 CG ASP A 31 13.562 34.690 3.428 1.00 0.00 C ATOM 369 OD1 ASP A 31 13.354 34.491 2.218 1.00 0.00 O ATOM 370 OD2 ASP A 31 13.266 35.767 3.998 1.00 0.00 O ATOM 0 H ASP A 31 12.185 33.396 5.681 1.00 0.00 H new ATOM 0 HA ASP A 31 13.025 32.083 3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.403 33.966 5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.187 33.364 3.799 1.00 0.00 H new ATOM 375 N ASP A 32 13.941 30.733 6.025 1.00 0.00 N ATOM 376 CA ASP A 32 14.665 29.631 6.633 1.00 0.00 C ATOM 377 C ASP A 32 14.337 28.339 5.911 1.00 0.00 C ATOM 378 O ASP A 32 15.069 27.359 6.011 1.00 0.00 O ATOM 379 CB ASP A 32 14.280 29.488 8.104 1.00 0.00 C ATOM 380 CG ASP A 32 14.314 30.793 8.856 1.00 0.00 C ATOM 381 OD1 ASP A 32 13.293 31.514 8.836 1.00 0.00 O ATOM 382 OD2 ASP A 32 15.342 31.103 9.477 1.00 0.00 O ATOM 0 H ASP A 32 13.199 31.118 6.609 1.00 0.00 H new ATOM 0 HA ASP A 32 15.733 29.837 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.278 29.063 8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.958 28.782 8.583 1.00 0.00 H new ATOM 387 N CYS A 33 13.219 28.353 5.188 1.00 0.00 N ATOM 388 CA CYS A 33 12.738 27.197 4.448 1.00 0.00 C ATOM 389 C CYS A 33 13.800 26.678 3.487 1.00 0.00 C ATOM 390 O CYS A 33 14.341 27.433 2.668 1.00 0.00 O ATOM 391 CB CYS A 33 11.469 27.567 3.682 1.00 0.00 C ATOM 392 SG CYS A 33 10.749 26.219 2.736 1.00 0.00 S ATOM 0 H CYS A 33 12.620 29.174 5.101 1.00 0.00 H new ATOM 0 HA CYS A 33 12.513 26.402 5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.726 27.934 4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.696 28.389 3.004 1.00 0.00 H new ATOM 397 N LYS A 34 14.102 25.396 3.598 1.00 0.00 N ATOM 398 CA LYS A 34 15.099 24.769 2.769 1.00 0.00 C ATOM 399 C LYS A 34 14.451 23.753 1.824 1.00 0.00 C ATOM 400 O LYS A 34 15.107 22.807 1.367 1.00 0.00 O ATOM 401 CB LYS A 34 16.142 24.069 3.655 1.00 0.00 C ATOM 402 CG LYS A 34 16.852 24.998 4.646 1.00 0.00 C ATOM 403 CD LYS A 34 17.988 24.283 5.382 1.00 0.00 C ATOM 404 CE LYS A 34 18.974 23.696 4.388 1.00 0.00 C ATOM 405 NZ LYS A 34 20.172 23.129 5.044 1.00 0.00 N ATOM 0 H LYS A 34 13.659 24.766 4.267 1.00 0.00 H new ATOM 0 HA LYS A 34 15.589 25.536 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.652 23.270 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.889 23.600 3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.251 25.861 4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.131 25.376 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.500 24.983 6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.581 23.491 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.479 22.917 3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.281 24.471 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.813 22.742 4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.662 23.876 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.885 22.370 5.695 1.00 0.00 H new ATOM 419 N CYS A 35 13.174 23.957 1.515 1.00 0.00 N ATOM 420 CA CYS A 35 12.452 23.031 0.665 1.00 0.00 C ATOM 421 C CYS A 35 12.721 23.324 -0.810 1.00 0.00 C ATOM 422 O CYS A 35 12.993 24.456 -1.190 1.00 0.00 O ATOM 423 CB CYS A 35 10.943 23.081 0.960 1.00 0.00 C ATOM 424 SG CYS A 35 9.988 21.718 0.222 1.00 0.00 S ATOM 0 H CYS A 35 12.625 24.752 1.841 1.00 0.00 H new ATOM 0 HA CYS A 35 12.810 22.025 0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.795 23.069 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.545 24.027 0.594 1.00 0.00 H new ATOM 429 N GLN A 36 12.657 22.288 -1.627 1.00 0.00 N ATOM 430 CA GLN A 36 12.878 22.416 -3.067 1.00 0.00 C ATOM 431 C GLN A 36 11.554 22.274 -3.798 1.00 0.00 C ATOM 432 O GLN A 36 11.515 22.084 -5.005 1.00 0.00 O ATOM 433 CB GLN A 36 13.848 21.325 -3.559 1.00 0.00 C ATOM 434 CG GLN A 36 15.244 21.395 -2.952 1.00 0.00 C ATOM 435 CD GLN A 36 16.241 22.190 -3.794 1.00 0.00 C ATOM 436 OE1 GLN A 36 17.441 21.920 -3.761 1.00 0.00 O ATOM 437 NE2 GLN A 36 15.762 23.177 -4.528 1.00 0.00 N ATOM 0 H GLN A 36 12.452 21.337 -1.319 1.00 0.00 H new ATOM 0 HA GLN A 36 13.311 23.396 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.418 20.348 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.934 21.396 -4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.178 21.846 -1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.623 20.382 -2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.761 23.371 -4.530 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.393 23.745 -5.093 1.00 0.00 H new ATOM 446 N SER A 37 10.470 22.357 -3.052 1.00 0.00 N ATOM 447 CA SER A 37 9.151 22.172 -3.621 1.00 0.00 C ATOM 448 C SER A 37 8.406 23.489 -3.786 1.00 0.00 C ATOM 449 O SER A 37 7.986 23.830 -4.876 1.00 0.00 O ATOM 450 CB SER A 37 8.338 21.228 -2.748 1.00 0.00 C ATOM 451 OG SER A 37 9.105 20.111 -2.342 1.00 0.00 O ATOM 0 H SER A 37 10.477 22.551 -2.051 1.00 0.00 H new ATOM 0 HA SER A 37 9.282 21.741 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.978 21.763 -1.869 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.460 20.888 -3.297 1.00 0.00 H new ATOM 0 HG SER A 37 9.551 20.312 -1.493 1.00 0.00 H new ATOM 457 N CYS A 38 8.272 24.241 -2.708 1.00 0.00 N ATOM 458 CA CYS A 38 7.495 25.467 -2.735 1.00 0.00 C ATOM 459 C CYS A 38 8.340 26.615 -3.225 1.00 0.00 C ATOM 460 O CYS A 38 7.852 27.727 -3.439 1.00 0.00 O ATOM 461 CB CYS A 38 6.975 25.764 -1.340 1.00 0.00 C ATOM 462 SG CYS A 38 8.266 25.841 -0.088 1.00 0.00 S ATOM 0 H CYS A 38 8.691 24.024 -1.804 1.00 0.00 H new ATOM 0 HA CYS A 38 6.655 25.341 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.439 26.713 -1.356 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.254 24.996 -1.059 1.00 0.00 H new ATOM 467 N LYS A 39 9.601 26.335 -3.422 1.00 0.00 N ATOM 468 CA LYS A 39 10.543 27.338 -3.817 1.00 0.00 C ATOM 469 C LYS A 39 10.921 27.173 -5.291 1.00 0.00 C ATOM 470 O LYS A 39 12.099 27.229 -5.647 1.00 0.00 O ATOM 471 CB LYS A 39 11.785 27.248 -2.924 1.00 0.00 C ATOM 472 CG LYS A 39 11.481 27.120 -1.420 1.00 0.00 C ATOM 473 CD LYS A 39 10.551 28.220 -0.900 1.00 0.00 C ATOM 474 CE LYS A 39 11.128 29.592 -1.144 1.00 0.00 C ATOM 475 NZ LYS A 39 10.336 30.658 -0.481 1.00 0.00 N ATOM 0 H LYS A 39 10.000 25.403 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 39 10.090 28.322 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.380 26.390 -3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.397 28.135 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.027 26.148 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.417 27.150 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.581 28.140 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.381 28.080 0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.154 29.623 -0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.166 29.783 -2.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.769 31.584 -0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.363 30.647 -0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.321 30.492 0.546 1.00 0.00 H new ATOM 489 N TYR A 40 9.908 26.948 -6.138 1.00 0.00 N ATOM 490 CA TYR A 40 10.108 26.828 -7.591 1.00 0.00 C ATOM 491 C TYR A 40 10.925 28.000 -8.130 1.00 0.00 C ATOM 492 O TYR A 40 10.776 29.135 -7.674 1.00 0.00 O ATOM 493 CB TYR A 40 8.764 26.796 -8.328 1.00 0.00 C ATOM 494 CG TYR A 40 7.885 25.609 -8.012 1.00 0.00 C ATOM 495 CD1 TYR A 40 6.780 25.746 -7.186 1.00 0.00 C ATOM 496 CD2 TYR A 40 8.149 24.360 -8.557 1.00 0.00 C ATOM 497 CE1 TYR A 40 5.960 24.670 -6.910 1.00 0.00 C ATOM 498 CE2 TYR A 40 7.336 23.278 -8.284 1.00 0.00 C ATOM 499 CZ TYR A 40 6.243 23.438 -7.460 1.00 0.00 C ATOM 500 OH TYR A 40 5.426 22.365 -7.190 1.00 0.00 O ATOM 0 H TYR A 40 8.937 26.845 -5.842 1.00 0.00 H new ATOM 0 HA TYR A 40 10.646 25.896 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.216 27.707 -8.090 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.956 26.810 -9.401 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.557 26.709 -6.752 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.004 24.233 -9.205 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.101 24.793 -6.267 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.555 22.312 -8.714 1.00 0.00 H new ATOM 0 HH TYR A 40 5.764 21.571 -7.655 1.00 0.00 H new ATOM 510 N GLY A 41 11.768 27.727 -9.108 1.00 0.00 N ATOM 511 CA GLY A 41 12.587 28.768 -9.681 1.00 0.00 C ATOM 512 C GLY A 41 13.985 28.290 -9.992 1.00 0.00 C ATOM 513 O GLY A 41 14.682 28.878 -10.815 1.00 0.00 O ATOM 0 H GLY A 41 11.900 26.802 -9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.119 29.134 -10.595 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.638 29.609 -8.990 1.00 0.00 H new ATOM 517 N ALA A 42 14.397 27.216 -9.339 1.00 0.00 N ATOM 518 CA ALA A 42 15.737 26.684 -9.535 1.00 0.00 C ATOM 519 C ALA A 42 15.709 25.187 -9.844 1.00 0.00 C ATOM 520 O ALA A 42 16.727 24.503 -9.736 1.00 0.00 O ATOM 521 CB ALA A 42 16.577 26.955 -8.299 1.00 0.00 C ATOM 0 H ALA A 42 13.827 26.697 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 42 16.182 27.185 -10.395 1.00 0.00 H new ATOM 0 HB1 ALA A 42 17.581 26.556 -8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 42 16.635 28.030 -8.127 1.00 0.00 H new ATOM 0 HB3 ALA A 42 16.119 26.474 -7.435 1.00 0.00 H new ATOM 527 N GLY A 43 14.558 24.690 -10.266 1.00 0.00 N ATOM 528 CA GLY A 43 14.429 23.274 -10.528 1.00 0.00 C ATOM 529 C GLY A 43 13.545 22.937 -11.709 1.00 0.00 C ATOM 530 O GLY A 43 13.772 21.941 -12.388 1.00 0.00 O ATOM 0 H GLY A 43 13.714 25.239 -10.431 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.421 22.857 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.029 22.787 -9.639 1.00 0.00 H new ATOM 534 N CYS A 44 12.600 23.793 -11.987 1.00 0.00 N ATOM 535 CA CYS A 44 11.590 23.539 -13.018 1.00 0.00 C ATOM 536 C CYS A 44 11.691 24.542 -14.157 1.00 0.00 C ATOM 537 O CYS A 44 12.599 25.379 -14.195 1.00 0.00 O ATOM 538 CB CYS A 44 10.170 23.614 -12.419 1.00 0.00 C ATOM 539 SG CYS A 44 9.772 22.338 -11.203 1.00 0.00 S ATOM 0 H CYS A 44 12.495 24.691 -11.514 1.00 0.00 H new ATOM 0 HA CYS A 44 11.777 22.538 -13.407 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.043 24.590 -11.951 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.447 23.554 -13.233 1.00 0.00 H new ATOM 544 N THR A 45 10.751 24.446 -15.074 1.00 0.00 N ATOM 545 CA THR A 45 10.651 25.344 -16.190 1.00 0.00 C ATOM 546 C THR A 45 9.174 25.571 -16.495 1.00 0.00 C ATOM 547 O THR A 45 8.316 24.885 -15.933 1.00 0.00 O ATOM 548 CB THR A 45 11.365 24.771 -17.437 1.00 0.00 C ATOM 549 OG1 THR A 45 11.368 25.741 -18.486 1.00 0.00 O ATOM 550 CG2 THR A 45 10.683 23.498 -17.921 1.00 0.00 C ATOM 0 H THR A 45 10.027 23.728 -15.059 1.00 0.00 H new ATOM 0 HA THR A 45 11.137 26.286 -15.936 1.00 0.00 H new ATOM 0 HB THR A 45 12.391 24.530 -17.159 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.823 25.372 -19.272 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.205 23.117 -18.798 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.708 22.749 -17.130 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.647 23.717 -18.182 1.00 0.00 H new ATOM 558 N ASP A 46 8.873 26.500 -17.388 1.00 0.00 N ATOM 559 CA ASP A 46 7.476 26.820 -17.717 1.00 0.00 C ATOM 560 C ASP A 46 6.789 25.642 -18.407 1.00 0.00 C ATOM 561 O ASP A 46 5.563 25.524 -18.392 1.00 0.00 O ATOM 562 CB ASP A 46 7.383 28.072 -18.600 1.00 0.00 C ATOM 563 CG ASP A 46 7.760 27.817 -20.050 1.00 0.00 C ATOM 564 OD1 ASP A 46 8.969 27.813 -20.365 1.00 0.00 O ATOM 565 OD2 ASP A 46 6.847 27.633 -20.880 1.00 0.00 O ATOM 0 H ASP A 46 9.565 27.047 -17.900 1.00 0.00 H new ATOM 0 HA ASP A 46 6.961 27.022 -16.778 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.366 28.461 -18.560 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.036 28.844 -18.193 1.00 0.00 H new ATOM 570 N THR A 47 7.586 24.772 -18.983 1.00 0.00 N ATOM 571 CA THR A 47 7.099 23.605 -19.684 1.00 0.00 C ATOM 572 C THR A 47 6.592 22.549 -18.686 1.00 0.00 C ATOM 573 O THR A 47 5.786 21.688 -19.025 1.00 0.00 O ATOM 574 CB THR A 47 8.232 23.007 -20.535 1.00 0.00 C ATOM 575 OG1 THR A 47 9.079 24.069 -21.008 1.00 0.00 O ATOM 576 CG2 THR A 47 7.673 22.254 -21.727 1.00 0.00 C ATOM 0 H THR A 47 8.603 24.855 -18.978 1.00 0.00 H new ATOM 0 HA THR A 47 6.272 23.903 -20.329 1.00 0.00 H new ATOM 0 HB THR A 47 8.801 22.312 -19.917 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.804 23.693 -21.550 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.493 21.840 -22.313 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.032 21.444 -21.378 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.091 22.935 -22.348 1.00 0.00 H new ATOM 584 N CYS A 48 7.049 22.655 -17.450 1.00 0.00 N ATOM 585 CA CYS A 48 6.681 21.711 -16.401 1.00 0.00 C ATOM 586 C CYS A 48 5.486 22.238 -15.606 1.00 0.00 C ATOM 587 O CYS A 48 4.906 21.533 -14.782 1.00 0.00 O ATOM 588 CB CYS A 48 7.884 21.471 -15.470 1.00 0.00 C ATOM 589 SG CYS A 48 7.618 20.240 -14.167 1.00 0.00 S ATOM 0 H CYS A 48 7.683 23.393 -17.143 1.00 0.00 H new ATOM 0 HA CYS A 48 6.396 20.764 -16.860 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.735 21.158 -16.075 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.156 22.418 -15.003 1.00 0.00 H new ATOM 594 N LYS A 49 5.111 23.485 -15.871 1.00 0.00 N ATOM 595 CA LYS A 49 3.991 24.119 -15.169 1.00 0.00 C ATOM 596 C LYS A 49 2.673 23.748 -15.818 1.00 0.00 C ATOM 597 O LYS A 49 1.602 24.149 -15.353 1.00 0.00 O ATOM 598 CB LYS A 49 4.137 25.640 -15.186 1.00 0.00 C ATOM 599 CG LYS A 49 5.551 26.127 -14.968 1.00 0.00 C ATOM 600 CD LYS A 49 6.102 25.702 -13.620 1.00 0.00 C ATOM 601 CE LYS A 49 5.678 26.640 -12.486 1.00 0.00 C ATOM 602 NZ LYS A 49 4.225 26.560 -12.174 1.00 0.00 N ATOM 0 H LYS A 49 5.563 24.080 -16.565 1.00 0.00 H new ATOM 0 HA LYS A 49 4.003 23.762 -14.139 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.778 26.018 -16.143 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.495 26.064 -14.414 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.193 25.740 -15.759 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.574 27.214 -15.042 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.762 24.691 -13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.190 25.669 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.250 26.398 -11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.929 27.665 -12.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.080 26.705 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.715 27.295 -12.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.863 25.624 -12.445 1.00 0.00 H new ATOM 616 N GLN A 50 2.753 23.001 -16.900 1.00 0.00 N ATOM 617 CA GLN A 50 1.573 22.614 -17.639 1.00 0.00 C ATOM 618 C GLN A 50 0.848 21.473 -16.944 1.00 0.00 C ATOM 619 O GLN A 50 1.212 21.070 -15.840 1.00 0.00 O ATOM 620 CB GLN A 50 1.948 22.221 -19.055 1.00 0.00 C ATOM 621 CG GLN A 50 3.024 23.099 -19.643 1.00 0.00 C ATOM 622 CD GLN A 50 2.929 23.227 -21.133 1.00 0.00 C ATOM 623 OE1 GLN A 50 2.416 22.343 -21.822 1.00 0.00 O ATOM 624 NE2 GLN A 50 3.456 24.306 -21.642 1.00 0.00 N ATOM 0 H GLN A 50 3.629 22.649 -17.287 1.00 0.00 H new ATOM 0 HA GLN A 50 0.897 23.468 -17.679 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.288 21.185 -19.061 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.061 22.269 -19.687 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.961 24.090 -19.194 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.001 22.692 -19.381 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.869 25.010 -21.030 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.455 24.446 -22.652 1.00 0.00 H new ATOM 633 N THR A 51 -0.166 20.955 -17.590 1.00 0.00 N ATOM 634 CA THR A 51 -0.959 19.889 -17.024 1.00 0.00 C ATOM 635 C THR A 51 -1.222 18.796 -18.069 1.00 0.00 C ATOM 636 O THR A 51 -1.865 19.048 -19.084 1.00 0.00 O ATOM 637 CB THR A 51 -2.307 20.431 -16.510 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.089 21.651 -15.776 1.00 0.00 O ATOM 639 CG2 THR A 51 -2.982 19.413 -15.605 1.00 0.00 C ATOM 0 H THR A 51 -0.465 21.257 -18.517 1.00 0.00 H new ATOM 0 HA THR A 51 -0.399 19.463 -16.191 1.00 0.00 H new ATOM 0 HB THR A 51 -2.953 20.625 -17.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.947 21.995 -15.451 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.932 19.814 -15.252 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.160 18.493 -16.162 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.338 19.201 -14.751 1.00 0.00 H new ATOM 647 N PRO A 52 -0.711 17.566 -17.847 1.00 0.00 N ATOM 648 CA PRO A 52 0.127 17.232 -16.677 1.00 0.00 C ATOM 649 C PRO A 52 1.526 17.863 -16.754 1.00 0.00 C ATOM 650 O PRO A 52 2.060 18.330 -15.753 1.00 0.00 O ATOM 651 CB PRO A 52 0.228 15.703 -16.741 1.00 0.00 C ATOM 652 CG PRO A 52 0.016 15.368 -18.179 1.00 0.00 C ATOM 653 CD PRO A 52 -0.955 16.389 -18.707 1.00 0.00 C ATOM 0 HA PRO A 52 -0.302 17.610 -15.749 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.201 15.356 -16.393 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.524 15.230 -16.109 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.956 15.403 -18.730 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.381 14.359 -18.290 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.771 16.613 -19.758 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.985 16.042 -18.631 1.00 0.00 H new ATOM 661 N CYS A 53 2.102 17.863 -17.945 1.00 0.00 N ATOM 662 CA CYS A 53 3.407 18.446 -18.178 1.00 0.00 C ATOM 663 C CYS A 53 3.636 18.586 -19.675 1.00 0.00 C ATOM 664 O CYS A 53 3.038 17.850 -20.471 1.00 0.00 O ATOM 665 CB CYS A 53 4.498 17.566 -17.562 1.00 0.00 C ATOM 666 SG CYS A 53 6.151 18.318 -17.531 1.00 0.00 S ATOM 0 H CYS A 53 1.674 17.457 -18.777 1.00 0.00 H new ATOM 0 HA CYS A 53 3.449 19.430 -17.710 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.209 17.313 -16.542 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.549 16.631 -18.119 1.00 0.00 H new ATOM 671 N GLY A 54 4.465 19.533 -20.062 1.00 0.00 N ATOM 672 CA GLY A 54 4.765 19.714 -21.458 1.00 0.00 C ATOM 673 C GLY A 54 6.168 19.279 -21.798 1.00 0.00 C ATOM 674 O GLY A 54 6.538 19.225 -22.967 1.00 0.00 O ATOM 0 H GLY A 54 4.937 20.182 -19.432 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.054 19.145 -22.058 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.637 20.764 -21.723 1.00 0.00 H new ATOM 678 N CYS A 55 6.956 18.970 -20.778 1.00 0.00 N ATOM 679 CA CYS A 55 8.318 18.551 -20.977 1.00 0.00 C ATOM 680 C CYS A 55 8.372 17.178 -21.637 1.00 0.00 C ATOM 681 O CYS A 55 8.649 17.065 -22.831 1.00 0.00 O ATOM 682 CB CYS A 55 9.049 18.512 -19.644 1.00 0.00 C ATOM 683 SG CYS A 55 9.202 20.101 -18.809 1.00 0.00 S ATOM 0 H CYS A 55 6.664 19.005 -19.801 1.00 0.00 H new ATOM 0 HA CYS A 55 8.805 19.270 -21.636 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.528 17.820 -18.982 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.048 18.107 -19.807 1.00 0.00 H new ATOM 688 N GLY A 56 8.070 16.145 -20.864 1.00 0.00 N ATOM 689 CA GLY A 56 8.149 14.787 -21.369 1.00 0.00 C ATOM 690 C GLY A 56 9.555 14.441 -21.821 1.00 0.00 C ATOM 691 O GLY A 56 10.467 14.330 -21.001 1.00 0.00 O ATOM 0 H GLY A 56 7.770 16.222 -19.892 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.834 14.090 -20.592 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.458 14.668 -22.204 1.00 0.00 H new ATOM 695 N SER A 57 9.735 14.298 -23.123 1.00 0.00 N ATOM 696 CA SER A 57 11.038 13.996 -23.688 1.00 0.00 C ATOM 697 C SER A 57 11.721 15.288 -24.143 1.00 0.00 C ATOM 698 O SER A 57 12.872 15.285 -24.574 1.00 0.00 O ATOM 699 CB SER A 57 10.894 13.014 -24.860 1.00 0.00 C ATOM 700 OG SER A 57 12.162 12.584 -25.344 1.00 0.00 O ATOM 0 H SER A 57 8.989 14.387 -23.813 1.00 0.00 H new ATOM 0 HA SER A 57 11.658 13.526 -22.924 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.314 12.148 -24.541 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.338 13.490 -25.668 1.00 0.00 H new ATOM 0 HG SER A 57 12.825 13.291 -25.198 1.00 0.00 H new ATOM 706 N GLY A 58 10.998 16.386 -24.028 1.00 0.00 N ATOM 707 CA GLY A 58 11.523 17.679 -24.403 1.00 0.00 C ATOM 708 C GLY A 58 11.558 18.591 -23.210 1.00 0.00 C ATOM 709 O GLY A 58 10.895 19.628 -23.179 1.00 0.00 O ATOM 0 H GLY A 58 10.041 16.405 -23.676 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.526 17.567 -24.814 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.905 18.117 -25.187 1.00 0.00 H new ATOM 713 N CYS A 59 12.324 18.191 -22.224 1.00 0.00 N ATOM 714 CA CYS A 59 12.410 18.904 -20.974 1.00 0.00 C ATOM 715 C CYS A 59 13.363 20.086 -21.053 1.00 0.00 C ATOM 716 O CYS A 59 14.369 20.042 -21.762 1.00 0.00 O ATOM 717 CB CYS A 59 12.838 17.945 -19.876 1.00 0.00 C ATOM 718 SG CYS A 59 13.285 18.743 -18.328 1.00 0.00 S ATOM 0 H CYS A 59 12.909 17.356 -22.267 1.00 0.00 H new ATOM 0 HA CYS A 59 11.424 19.309 -20.746 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.027 17.242 -19.688 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.689 17.363 -20.230 1.00 0.00 H new ATOM 723 N ASN A 60 13.031 21.140 -20.314 1.00 0.00 N ATOM 724 CA ASN A 60 13.844 22.354 -20.263 1.00 0.00 C ATOM 725 C ASN A 60 13.991 22.824 -18.820 1.00 0.00 C ATOM 726 O ASN A 60 14.226 24.005 -18.566 1.00 0.00 O ATOM 727 CB ASN A 60 13.202 23.481 -21.098 1.00 0.00 C ATOM 728 CG ASN A 60 13.252 23.248 -22.603 1.00 0.00 C ATOM 729 OD1 ASN A 60 12.362 23.685 -23.337 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.285 22.580 -23.075 1.00 0.00 N ATOM 0 H ASN A 60 12.193 21.178 -19.734 1.00 0.00 H new ATOM 0 HA ASN A 60 14.825 22.121 -20.678 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.162 23.596 -20.794 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.707 24.420 -20.870 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.367 22.410 -24.077 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.002 22.233 -22.438 1.00 0.00 H new ATOM 737 N CYS A 61 13.847 21.899 -17.877 1.00 0.00 N ATOM 738 CA CYS A 61 13.942 22.228 -16.455 1.00 0.00 C ATOM 739 C CYS A 61 15.365 22.535 -16.020 1.00 0.00 C ATOM 740 O CYS A 61 16.281 22.627 -16.837 1.00 0.00 O ATOM 741 CB CYS A 61 13.360 21.111 -15.599 1.00 0.00 C ATOM 742 SG CYS A 61 11.589 21.255 -15.341 1.00 0.00 S ATOM 0 H CYS A 61 13.664 20.914 -18.070 1.00 0.00 H new ATOM 0 HA CYS A 61 13.355 23.135 -16.307 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.573 20.153 -16.072 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.861 21.107 -14.631 1.00 0.00 H new ATOM 747 N LYS A 62 15.538 22.696 -14.724 1.00 0.00 N ATOM 748 CA LYS A 62 16.818 23.042 -14.161 1.00 0.00 C ATOM 749 C LYS A 62 17.497 21.796 -13.606 1.00 0.00 C ATOM 750 O LYS A 62 18.467 21.301 -14.174 1.00 0.00 O ATOM 751 CB LYS A 62 16.619 24.098 -13.061 1.00 0.00 C ATOM 752 CG LYS A 62 15.969 25.413 -13.537 1.00 0.00 C ATOM 753 CD LYS A 62 16.971 26.394 -14.182 1.00 0.00 C ATOM 754 CE LYS A 62 17.606 25.833 -15.428 1.00 0.00 C ATOM 755 NZ LYS A 62 18.359 26.863 -16.180 1.00 0.00 N ATOM 0 H LYS A 62 14.793 22.590 -14.035 1.00 0.00 H new ATOM 0 HA LYS A 62 17.462 23.459 -14.935 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.001 23.669 -12.272 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.588 24.328 -12.618 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.184 25.182 -14.257 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.490 25.901 -12.688 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.458 27.324 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.750 26.640 -13.460 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.278 25.019 -15.157 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.833 25.409 -16.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.779 26.435 -17.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.714 27.628 -16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.113 27.250 -15.578 1.00 0.00 H new ATOM 769 N GLU A 63 16.956 21.286 -12.512 1.00 0.00 N ATOM 770 CA GLU A 63 17.455 20.075 -11.872 1.00 0.00 C ATOM 771 C GLU A 63 16.579 19.707 -10.712 1.00 0.00 C ATOM 772 O GLU A 63 16.154 18.574 -10.578 1.00 0.00 O ATOM 773 CB GLU A 63 18.883 20.230 -11.359 1.00 0.00 C ATOM 774 CG GLU A 63 19.311 19.053 -10.493 1.00 0.00 C ATOM 775 CD GLU A 63 20.650 19.234 -9.852 1.00 0.00 C ATOM 776 OE1 GLU A 63 20.753 19.991 -8.870 1.00 0.00 O ATOM 777 OE2 GLU A 63 21.620 18.598 -10.312 1.00 0.00 O ATOM 0 H GLU A 63 16.154 21.701 -12.038 1.00 0.00 H new ATOM 0 HA GLU A 63 17.444 19.295 -12.634 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.564 20.323 -12.205 1.00 0.00 H new ATOM 0 HB3 GLU A 63 18.963 21.152 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.564 18.895 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.330 18.151 -11.105 1.00 0.00 H new ATOM 784 N ASP A 64 16.312 20.683 -9.878 1.00 0.00 N ATOM 785 CA ASP A 64 15.524 20.503 -8.682 1.00 0.00 C ATOM 786 C ASP A 64 14.048 20.326 -9.019 1.00 0.00 C ATOM 787 O ASP A 64 13.182 21.040 -8.520 1.00 0.00 O ATOM 788 CB ASP A 64 15.756 21.693 -7.767 1.00 0.00 C ATOM 789 CG ASP A 64 17.163 21.693 -7.200 1.00 0.00 C ATOM 790 OD1 ASP A 64 17.512 20.757 -6.457 1.00 0.00 O ATOM 791 OD2 ASP A 64 17.938 22.621 -7.515 1.00 0.00 O ATOM 0 H ASP A 64 16.641 21.639 -10.013 1.00 0.00 H new ATOM 0 HA ASP A 64 15.834 19.593 -8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.585 22.617 -8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.034 21.672 -6.951 1.00 0.00 H new ATOM 796 N CYS A 65 13.790 19.370 -9.879 1.00 0.00 N ATOM 797 CA CYS A 65 12.465 19.049 -10.325 1.00 0.00 C ATOM 798 C CYS A 65 11.992 17.772 -9.655 1.00 0.00 C ATOM 799 O CYS A 65 12.728 16.789 -9.596 1.00 0.00 O ATOM 800 CB CYS A 65 12.465 18.879 -11.839 1.00 0.00 C ATOM 801 SG CYS A 65 10.905 18.300 -12.512 1.00 0.00 S ATOM 0 H CYS A 65 14.514 18.784 -10.294 1.00 0.00 H new ATOM 0 HA CYS A 65 11.786 19.858 -10.057 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.715 19.834 -12.301 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.251 18.176 -12.115 1.00 0.00 H new ATOM 806 N ARG A 66 10.765 17.787 -9.165 1.00 0.00 N ATOM 807 CA ARG A 66 10.200 16.646 -8.454 1.00 0.00 C ATOM 808 C ARG A 66 9.185 15.925 -9.309 1.00 0.00 C ATOM 809 O ARG A 66 8.338 15.180 -8.804 1.00 0.00 O ATOM 810 CB ARG A 66 9.552 17.116 -7.162 1.00 0.00 C ATOM 811 CG ARG A 66 10.547 17.655 -6.173 1.00 0.00 C ATOM 812 CD ARG A 66 9.885 18.201 -4.939 1.00 0.00 C ATOM 813 NE ARG A 66 10.887 18.586 -3.950 1.00 0.00 N ATOM 814 CZ ARG A 66 11.503 17.722 -3.134 1.00 0.00 C ATOM 815 NH1 ARG A 66 11.131 16.449 -3.106 1.00 0.00 N ATOM 816 NH2 ARG A 66 12.473 18.138 -2.329 1.00 0.00 N ATOM 0 H ARG A 66 10.133 18.583 -9.246 1.00 0.00 H new ATOM 0 HA ARG A 66 11.006 15.950 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.818 17.889 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.011 16.285 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.241 16.863 -5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.136 18.441 -6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.272 19.064 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.217 17.451 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 66 11.133 19.573 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.373 16.126 -3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.603 15.793 -2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.751 19.119 -2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.940 17.476 -1.709 1.00 0.00 H new ATOM 830 N CYS A 67 9.270 16.136 -10.597 1.00 0.00 N ATOM 831 CA CYS A 67 8.352 15.530 -11.514 1.00 0.00 C ATOM 832 C CYS A 67 8.950 14.276 -12.138 1.00 0.00 C ATOM 833 O CYS A 67 10.061 14.298 -12.655 1.00 0.00 O ATOM 834 CB CYS A 67 7.970 16.517 -12.594 1.00 0.00 C ATOM 835 SG CYS A 67 6.706 15.905 -13.701 1.00 0.00 S ATOM 0 H CYS A 67 9.975 16.730 -11.034 1.00 0.00 H new ATOM 0 HA CYS A 67 7.458 15.241 -10.961 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.619 17.437 -12.127 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.857 16.772 -13.173 1.00 0.00 H new ATOM 840 N GLN A 68 8.192 13.189 -12.110 1.00 0.00 N ATOM 841 CA GLN A 68 8.651 11.914 -12.664 1.00 0.00 C ATOM 842 C GLN A 68 8.303 11.799 -14.145 1.00 0.00 C ATOM 843 O GLN A 68 8.527 10.761 -14.765 1.00 0.00 O ATOM 844 CB GLN A 68 8.038 10.728 -11.896 1.00 0.00 C ATOM 845 CG GLN A 68 6.511 10.763 -11.813 1.00 0.00 C ATOM 846 CD GLN A 68 6.002 11.188 -10.443 1.00 0.00 C ATOM 847 OE1 GLN A 68 4.901 10.822 -10.033 1.00 0.00 O ATOM 848 NE2 GLN A 68 6.816 11.944 -9.714 1.00 0.00 N ATOM 0 H GLN A 68 7.254 13.160 -11.710 1.00 0.00 H new ATOM 0 HA GLN A 68 9.735 11.885 -12.556 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.344 9.799 -12.378 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.446 10.713 -10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.127 11.450 -12.567 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.116 9.775 -12.051 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.721 12.227 -10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.536 12.241 -8.779 1.00 0.00 H new ATOM 857 N SER A 69 7.776 12.866 -14.708 1.00 0.00 N ATOM 858 CA SER A 69 7.365 12.854 -16.088 1.00 0.00 C ATOM 859 C SER A 69 8.520 13.253 -16.990 1.00 0.00 C ATOM 860 O SER A 69 8.761 12.625 -18.020 1.00 0.00 O ATOM 861 CB SER A 69 6.177 13.802 -16.294 1.00 0.00 C ATOM 862 OG SER A 69 5.568 13.603 -17.556 1.00 0.00 O ATOM 0 H SER A 69 7.624 13.752 -14.227 1.00 0.00 H new ATOM 0 HA SER A 69 7.056 11.842 -16.350 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.442 13.643 -15.505 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.515 14.835 -16.211 1.00 0.00 H new ATOM 0 HG SER A 69 4.814 14.221 -17.656 1.00 0.00 H new ATOM 868 N CYS A 70 9.250 14.277 -16.589 1.00 0.00 N ATOM 869 CA CYS A 70 10.320 14.784 -17.409 1.00 0.00 C ATOM 870 C CYS A 70 11.708 14.403 -16.889 1.00 0.00 C ATOM 871 O CYS A 70 12.673 14.377 -17.657 1.00 0.00 O ATOM 872 CB CYS A 70 10.179 16.283 -17.571 1.00 0.00 C ATOM 873 SG CYS A 70 10.131 17.207 -16.023 1.00 0.00 S ATOM 0 H CYS A 70 9.118 14.768 -15.705 1.00 0.00 H new ATOM 0 HA CYS A 70 10.234 14.310 -18.387 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.011 16.650 -18.172 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.267 16.490 -18.130 1.00 0.00 H new ATOM 878 N SER A 71 11.819 14.117 -15.593 1.00 0.00 N ATOM 879 CA SER A 71 13.091 13.678 -15.029 1.00 0.00 C ATOM 880 C SER A 71 13.519 12.360 -15.674 1.00 0.00 C ATOM 881 O SER A 71 12.668 11.541 -16.048 1.00 0.00 O ATOM 882 CB SER A 71 12.990 13.529 -13.511 1.00 0.00 C ATOM 883 OG SER A 71 12.696 14.776 -12.902 1.00 0.00 O ATOM 0 H SER A 71 11.053 14.181 -14.922 1.00 0.00 H new ATOM 0 HA SER A 71 13.846 14.435 -15.241 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.213 12.806 -13.263 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.928 13.138 -13.116 1.00 0.00 H new ATOM 0 HG SER A 71 11.730 14.849 -12.756 1.00 0.00 H new ATOM 889 N THR A 72 14.822 12.164 -15.817 1.00 0.00 N ATOM 890 CA THR A 72 15.345 10.975 -16.485 1.00 0.00 C ATOM 891 C THR A 72 15.070 9.690 -15.681 1.00 0.00 C ATOM 892 O THR A 72 14.581 9.740 -14.548 1.00 0.00 O ATOM 893 CB THR A 72 16.862 11.112 -16.796 1.00 0.00 C ATOM 894 OG1 THR A 72 17.296 10.035 -17.634 1.00 0.00 O ATOM 895 CG2 THR A 72 17.685 11.118 -15.520 1.00 0.00 C ATOM 0 H THR A 72 15.537 12.810 -15.481 1.00 0.00 H new ATOM 0 HA THR A 72 14.811 10.892 -17.432 1.00 0.00 H new ATOM 0 HB THR A 72 17.010 12.060 -17.312 1.00 0.00 H new ATOM 0 HG1 THR A 72 18.252 10.133 -17.824 1.00 0.00 H new ATOM 0 HG21 THR A 72 18.742 11.215 -15.769 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.381 11.958 -14.895 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.524 10.186 -14.979 1.00 0.00 H new ATOM 903 N ALA A 73 15.389 8.552 -16.284 1.00 0.00 N ATOM 904 CA ALA A 73 15.145 7.260 -15.678 1.00 0.00 C ATOM 905 C ALA A 73 16.043 7.025 -14.482 1.00 0.00 C ATOM 906 O ALA A 73 17.269 6.919 -14.617 1.00 0.00 O ATOM 907 CB ALA A 73 15.327 6.146 -16.697 1.00 0.00 C ATOM 0 H ALA A 73 15.823 8.504 -17.206 1.00 0.00 H new ATOM 0 HA ALA A 73 14.113 7.255 -15.328 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.139 5.183 -16.221 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.626 6.287 -17.520 1.00 0.00 H new ATOM 0 HB3 ALA A 73 16.347 6.168 -17.082 1.00 0.00 H new ATOM 913 N CYS A 74 15.426 6.968 -13.315 1.00 0.00 N ATOM 914 CA CYS A 74 16.129 6.676 -12.079 1.00 0.00 C ATOM 915 C CYS A 74 16.820 5.309 -12.211 1.00 0.00 C ATOM 916 O CYS A 74 16.243 4.364 -12.763 1.00 0.00 O ATOM 917 CB CYS A 74 15.131 6.663 -10.918 1.00 0.00 C ATOM 918 SG CYS A 74 15.748 7.410 -9.398 1.00 0.00 S ATOM 0 H CYS A 74 14.425 7.123 -13.198 1.00 0.00 H new ATOM 0 HA CYS A 74 16.882 7.440 -11.883 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.227 7.189 -11.226 1.00 0.00 H new ATOM 0 HB3 CYS A 74 14.845 5.631 -10.712 1.00 0.00 H new ATOM 923 N LYS A 75 18.041 5.206 -11.706 1.00 0.00 N ATOM 924 CA LYS A 75 18.854 3.979 -11.864 1.00 0.00 C ATOM 925 C LYS A 75 18.444 2.832 -10.934 1.00 0.00 C ATOM 926 O LYS A 75 19.279 2.035 -10.510 1.00 0.00 O ATOM 927 CB LYS A 75 20.339 4.299 -11.702 1.00 0.00 C ATOM 928 CG LYS A 75 20.940 4.948 -12.930 1.00 0.00 C ATOM 929 CD LYS A 75 20.988 3.969 -14.097 1.00 0.00 C ATOM 930 CE LYS A 75 21.181 4.699 -15.425 1.00 0.00 C ATOM 931 NZ LYS A 75 20.016 5.574 -15.764 1.00 0.00 N ATOM 0 H LYS A 75 18.502 5.949 -11.181 1.00 0.00 H new ATOM 0 HA LYS A 75 18.662 3.621 -12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.471 4.961 -10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.881 3.380 -11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.352 5.822 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.947 5.300 -12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.803 3.261 -13.947 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.064 3.391 -14.128 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.086 5.305 -15.376 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.328 3.969 -16.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 19.990 5.735 -16.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 19.135 5.110 -15.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 20.112 6.486 -15.273 1.00 0.00 H new ATOM 945 N CYS A 76 17.173 2.729 -10.665 1.00 0.00 N ATOM 946 CA CYS A 76 16.654 1.667 -9.838 1.00 0.00 C ATOM 947 C CYS A 76 15.795 0.737 -10.678 1.00 0.00 C ATOM 948 O CYS A 76 15.332 1.125 -11.753 1.00 0.00 O ATOM 949 CB CYS A 76 15.824 2.269 -8.741 1.00 0.00 C ATOM 950 SG CYS A 76 16.344 3.919 -8.298 1.00 0.00 S ATOM 0 H CYS A 76 16.465 3.377 -11.011 1.00 0.00 H new ATOM 0 HA CYS A 76 17.478 1.097 -9.408 1.00 0.00 H new ATOM 0 HB2 CYS A 76 14.781 2.295 -9.055 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.876 1.629 -7.860 1.00 0.00 H new ATOM 955 N ALA A 77 15.571 -0.480 -10.189 1.00 0.00 N ATOM 956 CA ALA A 77 14.759 -1.462 -10.909 1.00 0.00 C ATOM 957 C ALA A 77 14.533 -2.698 -10.063 1.00 0.00 C ATOM 958 O ALA A 77 15.449 -3.171 -9.421 1.00 0.00 O ATOM 959 CB ALA A 77 15.441 -1.853 -12.208 1.00 0.00 C ATOM 0 H ALA A 77 15.939 -0.811 -9.297 1.00 0.00 H new ATOM 0 HA ALA A 77 13.793 -1.007 -11.129 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.828 -2.584 -12.735 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.569 -0.969 -12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.417 -2.287 -11.990 1.00 0.00 H new ATOM 965 N ALA A 78 13.304 -3.200 -10.059 1.00 0.00 N ATOM 966 CA ALA A 78 12.946 -4.428 -9.328 1.00 0.00 C ATOM 967 C ALA A 78 13.473 -4.424 -7.889 1.00 0.00 C ATOM 968 O ALA A 78 14.276 -5.276 -7.503 1.00 0.00 O ATOM 969 CB ALA A 78 13.436 -5.663 -10.082 1.00 0.00 C ATOM 0 H ALA A 78 12.523 -2.775 -10.559 1.00 0.00 H new ATOM 0 HA ALA A 78 11.858 -4.461 -9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.163 -6.560 -9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.976 -5.693 -11.070 1.00 0.00 H new ATOM 0 HB3 ALA A 78 14.520 -5.618 -10.188 1.00 0.00 H new ATOM 975 N GLY A 79 13.044 -3.441 -7.117 1.00 0.00 N ATOM 976 CA GLY A 79 13.445 -3.357 -5.718 1.00 0.00 C ATOM 977 C GLY A 79 14.888 -2.917 -5.516 1.00 0.00 C ATOM 978 O GLY A 79 15.398 -2.963 -4.405 1.00 0.00 O ATOM 0 H GLY A 79 12.423 -2.694 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.787 -2.658 -5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.304 -4.331 -5.250 1.00 0.00 H new ATOM 982 N SER A 80 15.543 -2.474 -6.575 1.00 0.00 N ATOM 983 CA SER A 80 16.917 -2.071 -6.483 1.00 0.00 C ATOM 984 C SER A 80 17.055 -0.565 -6.333 1.00 0.00 C ATOM 985 O SER A 80 17.491 0.125 -7.243 1.00 0.00 O ATOM 986 CB SER A 80 17.685 -2.565 -7.691 1.00 0.00 C ATOM 987 OG SER A 80 17.643 -3.982 -7.765 1.00 0.00 O ATOM 0 H SER A 80 15.136 -2.388 -7.506 1.00 0.00 H new ATOM 0 HA SER A 80 17.340 -2.522 -5.586 1.00 0.00 H new ATOM 0 HB2 SER A 80 17.261 -2.135 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.720 -2.229 -7.633 1.00 0.00 H new ATOM 0 HG SER A 80 16.890 -4.258 -8.328 1.00 0.00 H new ATOM 993 N CYS A 81 16.608 -0.071 -5.208 1.00 0.00 N ATOM 994 CA CYS A 81 16.780 1.306 -4.838 1.00 0.00 C ATOM 995 C CYS A 81 17.593 1.328 -3.552 1.00 0.00 C ATOM 996 O CYS A 81 17.579 0.346 -2.806 1.00 0.00 O ATOM 997 CB CYS A 81 15.439 1.953 -4.606 1.00 0.00 C ATOM 998 SG CYS A 81 15.562 3.668 -4.085 1.00 0.00 S ATOM 0 H CYS A 81 16.106 -0.625 -4.513 1.00 0.00 H new ATOM 0 HA CYS A 81 17.288 1.856 -5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 81 14.853 1.900 -5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.896 1.388 -3.848 1.00 0.00 H new ATOM 1003 N LYS A 82 18.288 2.408 -3.260 1.00 0.00 N ATOM 1004 CA LYS A 82 19.117 2.409 -2.063 1.00 0.00 C ATOM 1005 C LYS A 82 18.898 3.622 -1.165 1.00 0.00 C ATOM 1006 O LYS A 82 19.445 3.676 -0.066 1.00 0.00 O ATOM 1007 CB LYS A 82 20.582 2.320 -2.426 1.00 0.00 C ATOM 1008 CG LYS A 82 21.139 3.600 -2.985 1.00 0.00 C ATOM 1009 CD LYS A 82 22.596 3.722 -2.654 1.00 0.00 C ATOM 1010 CE LYS A 82 23.439 2.730 -3.443 1.00 0.00 C ATOM 1011 NZ LYS A 82 24.889 2.908 -3.188 1.00 0.00 N ATOM 0 H LYS A 82 18.301 3.268 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 82 18.811 1.529 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 82 21.152 2.041 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.720 1.523 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.002 3.623 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.594 4.451 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.934 4.736 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.742 3.555 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.146 1.714 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.240 2.852 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.427 2.213 -3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 25.175 3.869 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 25.083 2.767 -2.176 1.00 0.00 H new ATOM 1025 N CYS A 83 18.115 4.590 -1.601 1.00 0.00 N ATOM 1026 CA CYS A 83 17.927 5.788 -0.778 1.00 0.00 C ATOM 1027 C CYS A 83 17.003 5.491 0.392 1.00 0.00 C ATOM 1028 O CYS A 83 17.108 6.106 1.457 1.00 0.00 O ATOM 1029 CB CYS A 83 17.376 6.944 -1.590 1.00 0.00 C ATOM 1030 SG CYS A 83 15.729 6.679 -2.199 1.00 0.00 S ATOM 0 H CYS A 83 17.611 4.583 -2.488 1.00 0.00 H new ATOM 0 HA CYS A 83 18.906 6.079 -0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 83 17.384 7.843 -0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 83 18.039 7.130 -2.435 1.00 0.00 H new ATOM 1035 N GLY A 84 16.109 4.535 0.198 1.00 0.00 N ATOM 1036 CA GLY A 84 15.184 4.179 1.242 1.00 0.00 C ATOM 1037 C GLY A 84 13.742 4.376 0.834 1.00 0.00 C ATOM 1038 O GLY A 84 12.832 3.870 1.490 1.00 0.00 O ATOM 0 H GLY A 84 16.010 4.001 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.340 3.137 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.392 4.780 2.127 1.00 0.00 H new ATOM 1042 N LYS A 85 13.526 5.122 -0.245 1.00 0.00 N ATOM 1043 CA LYS A 85 12.176 5.363 -0.744 1.00 0.00 C ATOM 1044 C LYS A 85 11.698 4.179 -1.550 1.00 0.00 C ATOM 1045 O LYS A 85 10.559 3.731 -1.407 1.00 0.00 O ATOM 1046 CB LYS A 85 12.137 6.619 -1.612 1.00 0.00 C ATOM 1047 CG LYS A 85 12.605 7.873 -0.898 1.00 0.00 C ATOM 1048 CD LYS A 85 11.660 8.273 0.244 1.00 0.00 C ATOM 1049 CE LYS A 85 10.333 8.809 -0.284 1.00 0.00 C ATOM 1050 NZ LYS A 85 10.510 10.079 -1.038 1.00 0.00 N ATOM 0 H LYS A 85 14.265 5.568 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 85 11.518 5.506 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.760 6.460 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.118 6.773 -1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.606 7.711 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.676 8.692 -1.613 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.475 7.409 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.138 9.032 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.872 8.063 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.650 8.973 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.592 10.558 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.173 10.696 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.889 9.871 -1.984 1.00 0.00 H new ATOM 1064 N GLY A 86 12.569 3.679 -2.403 1.00 0.00 N ATOM 1065 CA GLY A 86 12.227 2.553 -3.219 1.00 0.00 C ATOM 1066 C GLY A 86 11.618 2.965 -4.532 1.00 0.00 C ATOM 1067 O GLY A 86 10.537 2.507 -4.884 1.00 0.00 O ATOM 0 H GLY A 86 13.513 4.039 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.121 1.958 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.526 1.915 -2.680 1.00 0.00 H new ATOM 1071 N CYS A 87 12.302 3.845 -5.258 1.00 0.00 N ATOM 1072 CA CYS A 87 11.809 4.293 -6.567 1.00 0.00 C ATOM 1073 C CYS A 87 11.683 3.115 -7.519 1.00 0.00 C ATOM 1074 O CYS A 87 10.699 2.991 -8.236 1.00 0.00 O ATOM 1075 CB CYS A 87 12.732 5.342 -7.170 1.00 0.00 C ATOM 1076 SG CYS A 87 13.128 6.695 -6.049 1.00 0.00 S ATOM 0 H CYS A 87 13.188 4.260 -4.971 1.00 0.00 H new ATOM 0 HA CYS A 87 10.826 4.740 -6.417 1.00 0.00 H new ATOM 0 HB2 CYS A 87 13.658 4.860 -7.484 1.00 0.00 H new ATOM 0 HB3 CYS A 87 12.265 5.750 -8.066 1.00 0.00 H new ATOM 1081 N THR A 88 12.705 2.255 -7.510 1.00 0.00 N ATOM 1082 CA THR A 88 12.748 1.033 -8.333 1.00 0.00 C ATOM 1083 C THR A 88 12.509 1.318 -9.817 1.00 0.00 C ATOM 1084 O THR A 88 12.056 0.452 -10.561 1.00 0.00 O ATOM 1085 CB THR A 88 11.747 -0.038 -7.827 1.00 0.00 C ATOM 1086 OG1 THR A 88 10.397 0.428 -7.937 1.00 0.00 O ATOM 1087 CG2 THR A 88 12.033 -0.375 -6.381 1.00 0.00 C ATOM 0 H THR A 88 13.534 2.384 -6.929 1.00 0.00 H new ATOM 0 HA THR A 88 13.759 0.638 -8.229 1.00 0.00 H new ATOM 0 HB THR A 88 11.868 -0.926 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.384 1.281 -8.419 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.324 -1.128 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.047 -0.764 -6.292 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.934 0.523 -5.772 1.00 0.00 H new ATOM 1095 N GLY A 89 12.872 2.512 -10.243 1.00 0.00 N ATOM 1096 CA GLY A 89 12.654 2.898 -11.622 1.00 0.00 C ATOM 1097 C GLY A 89 11.790 4.125 -11.730 1.00 0.00 C ATOM 1098 O GLY A 89 11.232 4.573 -10.735 1.00 0.00 O ATOM 0 H GLY A 89 13.314 3.224 -9.661 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.614 3.086 -12.103 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.184 2.074 -12.160 1.00 0.00 H new ATOM 1102 N PRO A 90 11.644 4.681 -12.935 1.00 0.00 N ATOM 1103 CA PRO A 90 10.854 5.901 -13.165 1.00 0.00 C ATOM 1104 C PRO A 90 9.350 5.664 -13.014 1.00 0.00 C ATOM 1105 O PRO A 90 8.571 6.608 -12.861 1.00 0.00 O ATOM 1106 CB PRO A 90 11.186 6.256 -14.613 1.00 0.00 C ATOM 1107 CG PRO A 90 11.546 4.955 -15.242 1.00 0.00 C ATOM 1108 CD PRO A 90 12.236 4.164 -14.181 1.00 0.00 C ATOM 0 HA PRO A 90 11.092 6.683 -12.444 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.335 6.717 -15.114 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.011 6.966 -14.669 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.657 4.436 -15.601 1.00 0.00 H new ATOM 0 HG3 PRO A 90 12.197 5.105 -16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 90 12.059 3.095 -14.297 1.00 0.00 H new ATOM 0 HD3 PRO A 90 13.315 4.313 -14.206 1.00 0.00 H new ATOM 1116 N ASP A 91 8.957 4.404 -13.039 1.00 0.00 N ATOM 1117 CA ASP A 91 7.556 4.026 -12.943 1.00 0.00 C ATOM 1118 C ASP A 91 7.030 4.220 -11.526 1.00 0.00 C ATOM 1119 O ASP A 91 5.886 4.623 -11.332 1.00 0.00 O ATOM 1120 CB ASP A 91 7.371 2.571 -13.375 1.00 0.00 C ATOM 1121 CG ASP A 91 8.016 1.599 -12.417 1.00 0.00 C ATOM 1122 OD1 ASP A 91 9.256 1.566 -12.353 1.00 0.00 O ATOM 1123 OD2 ASP A 91 7.280 0.866 -11.721 1.00 0.00 O ATOM 0 H ASP A 91 9.597 3.614 -13.126 1.00 0.00 H new ATOM 0 HA ASP A 91 6.986 4.673 -13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.306 2.350 -13.450 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.796 2.433 -14.369 1.00 0.00 H new ATOM 1128 N SER A 92 7.869 3.946 -10.542 1.00 0.00 N ATOM 1129 CA SER A 92 7.476 4.088 -9.153 1.00 0.00 C ATOM 1130 C SER A 92 8.284 5.204 -8.501 1.00 0.00 C ATOM 1131 O SER A 92 8.283 5.381 -7.277 1.00 0.00 O ATOM 1132 CB SER A 92 7.668 2.762 -8.413 1.00 0.00 C ATOM 1133 OG SER A 92 6.947 1.711 -9.055 1.00 0.00 O ATOM 0 H SER A 92 8.827 3.624 -10.680 1.00 0.00 H new ATOM 0 HA SER A 92 6.420 4.353 -9.100 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.728 2.512 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.329 2.864 -7.382 1.00 0.00 H new ATOM 0 HG SER A 92 7.298 1.580 -9.961 1.00 0.00 H new ATOM 1139 N CYS A 93 8.975 5.950 -9.339 1.00 0.00 N ATOM 1140 CA CYS A 93 9.767 7.067 -8.903 1.00 0.00 C ATOM 1141 C CYS A 93 8.889 8.257 -8.594 1.00 0.00 C ATOM 1142 O CYS A 93 7.938 8.548 -9.328 1.00 0.00 O ATOM 1143 CB CYS A 93 10.761 7.446 -9.976 1.00 0.00 C ATOM 1144 SG CYS A 93 11.745 8.875 -9.576 1.00 0.00 S ATOM 0 H CYS A 93 8.999 5.792 -10.346 1.00 0.00 H new ATOM 0 HA CYS A 93 10.298 6.775 -7.997 1.00 0.00 H new ATOM 0 HB2 CYS A 93 11.424 6.600 -10.158 1.00 0.00 H new ATOM 0 HB3 CYS A 93 10.223 7.636 -10.905 1.00 0.00 H new ATOM 1149 N LYS A 94 9.211 8.939 -7.514 1.00 0.00 N ATOM 1150 CA LYS A 94 8.476 10.109 -7.081 1.00 0.00 C ATOM 1151 C LYS A 94 9.405 11.068 -6.369 1.00 0.00 C ATOM 1152 O LYS A 94 8.995 11.780 -5.451 1.00 0.00 O ATOM 1153 CB LYS A 94 7.328 9.703 -6.154 1.00 0.00 C ATOM 1154 CG LYS A 94 6.155 9.072 -6.882 1.00 0.00 C ATOM 1155 CD LYS A 94 5.140 8.490 -5.922 1.00 0.00 C ATOM 1156 CE LYS A 94 5.658 7.223 -5.261 1.00 0.00 C ATOM 1157 NZ LYS A 94 4.632 6.596 -4.391 1.00 0.00 N ATOM 0 H LYS A 94 9.995 8.695 -6.909 1.00 0.00 H new ATOM 0 HA LYS A 94 8.057 10.604 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.704 9.001 -5.410 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.979 10.583 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.672 9.821 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.519 8.287 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.897 9.227 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.216 8.270 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.967 6.513 -6.028 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.543 7.458 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.023 5.735 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.355 7.264 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.798 6.349 -4.961 1.00 0.00 H new ATOM 1171 N CYS A 95 10.652 11.101 -6.797 1.00 0.00 N ATOM 1172 CA CYS A 95 11.629 11.967 -6.161 1.00 0.00 C ATOM 1173 C CYS A 95 12.115 13.037 -7.127 1.00 0.00 C ATOM 1174 O CYS A 95 11.532 13.236 -8.201 1.00 0.00 O ATOM 1175 CB CYS A 95 12.816 11.157 -5.608 1.00 0.00 C ATOM 1176 SG CYS A 95 14.037 10.628 -6.838 1.00 0.00 S ATOM 0 H CYS A 95 11.011 10.546 -7.573 1.00 0.00 H new ATOM 0 HA CYS A 95 11.138 12.460 -5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 95 13.323 11.757 -4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 95 12.427 10.273 -5.104 1.00 0.00 H new ATOM 1181 N ASP A 96 13.160 13.732 -6.734 1.00 0.00 N ATOM 1182 CA ASP A 96 13.740 14.774 -7.544 1.00 0.00 C ATOM 1183 C ASP A 96 15.132 14.390 -7.993 1.00 0.00 C ATOM 1184 O ASP A 96 15.693 13.394 -7.539 1.00 0.00 O ATOM 1185 CB ASP A 96 13.781 16.100 -6.780 1.00 0.00 C ATOM 1186 CG ASP A 96 14.448 15.990 -5.425 1.00 0.00 C ATOM 1187 OD1 ASP A 96 13.850 15.391 -4.502 1.00 0.00 O ATOM 1188 OD2 ASP A 96 15.555 16.514 -5.270 1.00 0.00 O ATOM 0 H ASP A 96 13.631 13.588 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 96 13.111 14.902 -8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.311 16.840 -7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.763 16.467 -6.648 1.00 0.00 H new ATOM 1193 N ARG A 97 15.704 15.196 -8.868 1.00 0.00 N ATOM 1194 CA ARG A 97 17.037 14.921 -9.402 1.00 0.00 C ATOM 1195 C ARG A 97 18.103 15.128 -8.337 1.00 0.00 C ATOM 1196 O ARG A 97 19.275 14.789 -8.531 1.00 0.00 O ATOM 1197 CB ARG A 97 17.333 15.803 -10.609 1.00 0.00 C ATOM 1198 CG ARG A 97 16.270 15.733 -11.684 1.00 0.00 C ATOM 1199 CD ARG A 97 16.621 16.588 -12.894 1.00 0.00 C ATOM 1200 NE ARG A 97 18.020 16.456 -13.320 1.00 0.00 N ATOM 1201 CZ ARG A 97 18.588 17.218 -14.271 1.00 0.00 C ATOM 1202 NH1 ARG A 97 17.863 18.130 -14.918 1.00 0.00 N ATOM 1203 NH2 ARG A 97 19.871 17.062 -14.575 1.00 0.00 N ATOM 0 H ARG A 97 15.272 16.047 -9.228 1.00 0.00 H new ATOM 0 HA ARG A 97 17.056 13.878 -9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.435 16.836 -10.277 1.00 0.00 H new ATOM 0 HB3 ARG A 97 18.291 15.509 -11.037 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.140 14.697 -11.998 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.316 16.063 -11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.970 16.314 -13.724 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.418 17.633 -12.661 1.00 0.00 H new ATOM 0 HE ARG A 97 18.594 15.745 -12.868 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.876 18.251 -14.692 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.295 18.707 -15.639 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.429 16.362 -14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.298 17.642 -15.297 1.00 0.00 H new ATOM 1217 N SER A 98 17.687 15.670 -7.224 1.00 0.00 N ATOM 1218 CA SER A 98 18.561 15.935 -6.117 1.00 0.00 C ATOM 1219 C SER A 98 18.306 14.929 -4.979 1.00 0.00 C ATOM 1220 O SER A 98 18.617 15.202 -3.817 1.00 0.00 O ATOM 1221 CB SER A 98 18.327 17.371 -5.632 1.00 0.00 C ATOM 1222 OG SER A 98 18.604 18.312 -6.660 1.00 0.00 O ATOM 0 H SER A 98 16.718 15.943 -7.060 1.00 0.00 H new ATOM 0 HA SER A 98 19.598 15.825 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.294 17.482 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.961 17.574 -4.769 1.00 0.00 H new ATOM 0 HG SER A 98 18.083 19.128 -6.506 1.00 0.00 H new ATOM 1228 N CYS A 99 17.774 13.746 -5.331 1.00 0.00 N ATOM 1229 CA CYS A 99 17.454 12.726 -4.330 1.00 0.00 C ATOM 1230 C CYS A 99 18.736 12.058 -3.830 1.00 0.00 C ATOM 1231 O CYS A 99 19.824 12.307 -4.363 1.00 0.00 O ATOM 1232 CB CYS A 99 16.496 11.676 -4.914 1.00 0.00 C ATOM 1233 SG CYS A 99 15.553 10.726 -3.680 1.00 0.00 S ATOM 0 H CYS A 99 17.560 13.479 -6.292 1.00 0.00 H new ATOM 0 HA CYS A 99 16.959 13.210 -3.488 1.00 0.00 H new ATOM 0 HB2 CYS A 99 15.793 12.177 -5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 99 17.072 10.980 -5.524 1.00 0.00 H new ATOM 1238 N SER A 100 18.608 11.205 -2.825 1.00 0.00 N ATOM 1239 CA SER A 100 19.755 10.543 -2.221 1.00 0.00 C ATOM 1240 C SER A 100 20.471 9.619 -3.202 1.00 0.00 C ATOM 1241 O SER A 100 21.694 9.484 -3.153 1.00 0.00 O ATOM 1242 CB SER A 100 19.319 9.768 -0.993 1.00 0.00 C ATOM 1243 OG SER A 100 18.559 10.588 -0.123 1.00 0.00 O ATOM 0 H SER A 100 17.712 10.953 -2.407 1.00 0.00 H new ATOM 0 HA SER A 100 20.465 11.318 -1.931 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.727 8.904 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 100 20.195 9.387 -0.468 1.00 0.00 H new ATOM 0 HG SER A 100 18.286 10.068 0.662 1.00 0.00 H new ATOM 1249 N CYS A 101 19.723 8.991 -4.087 1.00 0.00 N ATOM 1250 CA CYS A 101 20.323 8.100 -5.058 1.00 0.00 C ATOM 1251 C CYS A 101 20.634 8.846 -6.344 1.00 0.00 C ATOM 1252 O CYS A 101 21.643 8.579 -6.991 1.00 0.00 O ATOM 1253 CB CYS A 101 19.418 6.903 -5.328 1.00 0.00 C ATOM 1254 SG CYS A 101 17.742 7.343 -5.798 1.00 0.00 S ATOM 0 H CYS A 101 18.709 9.080 -4.154 1.00 0.00 H new ATOM 0 HA CYS A 101 21.260 7.725 -4.646 1.00 0.00 H new ATOM 0 HB2 CYS A 101 19.859 6.299 -6.121 1.00 0.00 H new ATOM 0 HB3 CYS A 101 19.382 6.280 -4.435 1.00 0.00 H new ATOM 1259 N LYS A 102 19.761 9.779 -6.718 1.00 0.00 N ATOM 1260 CA LYS A 102 19.961 10.574 -7.882 1.00 0.00 C ATOM 1261 C LYS A 102 20.954 11.703 -7.601 1.00 0.00 C ATOM 1262 O LYS A 102 22.180 11.416 -7.542 1.00 0.00 O ATOM 1263 CB LYS A 102 18.635 11.160 -8.309 1.00 0.00 C ATOM 1264 CG LYS A 102 18.641 11.616 -9.723 1.00 0.00 C ATOM 1265 CD LYS A 102 17.769 10.740 -10.574 1.00 0.00 C ATOM 1266 CE LYS A 102 17.888 11.080 -12.018 1.00 0.00 C ATOM 1267 NZ LYS A 102 19.293 11.027 -12.486 1.00 0.00 N ATOM 0 H LYS A 102 18.902 9.989 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 102 20.368 9.947 -8.676 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.852 10.414 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.388 12.001 -7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.291 12.647 -9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.661 11.605 -10.108 1.00 0.00 H new ATOM 0 HD2 LYS A 102 18.044 9.696 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.731 10.845 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.284 10.388 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.486 12.078 -12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.324 10.634 -13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.694 11.987 -12.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.849 10.423 -11.847 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 13.658 8.405 -7.960 1.00 0.00 CD HETATM 1283 CD CD A 202 15.747 5.248 -6.131 1.00 0.00 CD HETATM 1284 CD CD A 203 15.545 8.015 -4.334 1.00 0.00 CD HETATM 1285 CD CD A 204 7.649 17.925 -15.378 1.00 0.00 CD HETATM 1286 CD CD A 205 9.970 20.531 -13.302 1.00 0.00 CD HETATM 1287 CD CD A 206 11.049 19.344 -17.120 1.00 0.00 CD HETATM 1288 CD CD A 207 8.615 25.412 4.207 1.00 0.00 CD HETATM 1289 CD CD A 208 6.243 27.093 1.417 1.00 0.00 CD HETATM 1290 CD CD A 209 7.845 23.214 0.726 1.00 0.00 CD