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 45 THR OG1 : rot -120:sc= -0.0983 USER MOD Set 1.2: A 60 ASN : amide:sc= -0.473 X(o=-0.57,f=-1.1) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 1.04 USER MOD Set 2.2: A 34 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 160:sc= -0.0921 (180deg=-0.103) 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 -35:sc= 0.668 USER MOD Single : A 12 THR OG1 : rot -175:sc= -0.678 USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -0.592 (180deg=-1.27) USER MOD Single : A 17 GLN : amide:sc= -2.46! X(o=-2.5!,f=-2) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 30 THR OG1 : rot 90:sc= 0.506 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 37 SER OG : rot 94:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= 0.927 (180deg=-0.778) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= -0.973 (180deg=-1.53) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00544 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.112! C(o=-0.11!,f=-4!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 159:sc= -3.79! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0481) USER MOD Single : A 80 SER OG : rot -45:sc= 0.223 USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= -0.0491 (180deg=-0.36) USER MOD Single : A 85 LYS NZ :NH3+ -106:sc= 0.759 (180deg=-0.401) USER MOD Single : A 88 THR OG1 : rot 20:sc= 0.774 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= 1.02 (180deg=0.767) USER MOD Single : A 98 SER OG : rot -123:sc= 1.32 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= -0.0523 (180deg=-0.0523) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.086 1.178 4.927 1.00 0.00 N ATOM 2 CA GLY A 1 4.598 0.799 3.578 1.00 0.00 C ATOM 3 C GLY A 1 4.315 1.862 2.531 1.00 0.00 C ATOM 4 O GLY A 1 4.423 1.610 1.328 1.00 0.00 O ATOM 0 H1 GLY A 1 3.990 0.325 5.514 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.752 1.836 5.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.158 1.637 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.673 0.627 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.141 -0.141 3.270 1.00 0.00 H new ATOM 7 N SER A 2 3.946 3.044 2.982 1.00 0.00 N ATOM 8 CA SER A 2 3.660 4.142 2.087 1.00 0.00 C ATOM 9 C SER A 2 4.005 5.471 2.746 1.00 0.00 C ATOM 10 O SER A 2 3.827 5.640 3.955 1.00 0.00 O ATOM 11 CB SER A 2 2.184 4.113 1.663 1.00 0.00 C ATOM 12 OG SER A 2 1.325 4.054 2.794 1.00 0.00 O ATOM 0 H SER A 2 3.837 3.267 3.971 1.00 0.00 H new ATOM 0 HA SER A 2 4.277 4.034 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.954 5.001 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.004 3.251 1.021 1.00 0.00 H new ATOM 0 HG SER A 2 0.392 4.038 2.495 1.00 0.00 H new ATOM 18 N MET A 3 4.517 6.400 1.958 1.00 0.00 N ATOM 19 CA MET A 3 4.871 7.713 2.466 1.00 0.00 C ATOM 20 C MET A 3 4.042 8.768 1.765 1.00 0.00 C ATOM 21 O MET A 3 4.267 9.060 0.587 1.00 0.00 O ATOM 22 CB MET A 3 6.366 8.021 2.253 1.00 0.00 C ATOM 23 CG MET A 3 7.309 6.859 2.530 1.00 0.00 C ATOM 24 SD MET A 3 7.396 5.698 1.146 1.00 0.00 S ATOM 25 CE MET A 3 8.572 4.505 1.783 1.00 0.00 C ATOM 0 H MET A 3 4.697 6.269 0.963 1.00 0.00 H new ATOM 0 HA MET A 3 4.670 7.722 3.537 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.511 8.349 1.224 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.644 8.856 2.896 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.306 7.246 2.740 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.978 6.331 3.424 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.733 3.722 1.042 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.518 5.004 1.995 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.182 4.063 2.700 1.00 0.00 H new ATOM 35 N SER A 4 3.082 9.324 2.471 1.00 0.00 N ATOM 36 CA SER A 4 2.225 10.351 1.912 1.00 0.00 C ATOM 37 C SER A 4 2.671 11.730 2.394 1.00 0.00 C ATOM 38 O SER A 4 2.007 12.739 2.138 1.00 0.00 O ATOM 39 CB SER A 4 0.762 10.090 2.298 1.00 0.00 C ATOM 40 OG SER A 4 -0.110 11.021 1.677 1.00 0.00 O ATOM 0 H SER A 4 2.873 9.081 3.439 1.00 0.00 H new ATOM 0 HA SER A 4 2.304 10.323 0.825 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.482 9.077 2.008 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.653 10.153 3.381 1.00 0.00 H new ATOM 0 HG SER A 4 0.331 11.895 1.621 1.00 0.00 H new ATOM 46 N SER A 5 3.806 11.760 3.077 1.00 0.00 N ATOM 47 CA SER A 5 4.361 12.988 3.611 1.00 0.00 C ATOM 48 C SER A 5 4.663 14.001 2.503 1.00 0.00 C ATOM 49 O SER A 5 5.159 13.639 1.429 1.00 0.00 O ATOM 50 CB SER A 5 5.627 12.675 4.409 1.00 0.00 C ATOM 51 OG SER A 5 6.480 11.794 3.687 1.00 0.00 O ATOM 0 H SER A 5 4.366 10.931 3.275 1.00 0.00 H new ATOM 0 HA SER A 5 3.619 13.439 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.159 13.600 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.357 12.224 5.364 1.00 0.00 H new ATOM 0 HG SER A 5 7.284 11.610 4.217 1.00 0.00 H new ATOM 57 N VAL A 6 4.345 15.258 2.761 1.00 0.00 N ATOM 58 CA VAL A 6 4.600 16.327 1.809 1.00 0.00 C ATOM 59 C VAL A 6 5.781 17.189 2.281 1.00 0.00 C ATOM 60 O VAL A 6 6.352 17.960 1.519 1.00 0.00 O ATOM 61 CB VAL A 6 3.333 17.216 1.609 1.00 0.00 C ATOM 62 CG1 VAL A 6 2.996 17.998 2.873 1.00 0.00 C ATOM 63 CG2 VAL A 6 3.499 18.152 0.420 1.00 0.00 C ATOM 0 H VAL A 6 3.906 15.565 3.629 1.00 0.00 H new ATOM 0 HA VAL A 6 4.851 15.872 0.851 1.00 0.00 H new ATOM 0 HB VAL A 6 2.497 16.549 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.109 18.606 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.805 17.303 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.834 18.645 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.600 18.758 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.357 18.803 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.658 17.566 -0.485 1.00 0.00 H new ATOM 73 N PHE A 7 6.157 17.023 3.539 1.00 0.00 N ATOM 74 CA PHE A 7 7.247 17.797 4.111 1.00 0.00 C ATOM 75 C PHE A 7 8.601 17.211 3.745 1.00 0.00 C ATOM 76 O PHE A 7 8.689 16.117 3.180 1.00 0.00 O ATOM 77 CB PHE A 7 7.108 17.906 5.640 1.00 0.00 C ATOM 78 CG PHE A 7 7.076 16.584 6.367 1.00 0.00 C ATOM 79 CD1 PHE A 7 8.249 15.973 6.782 1.00 0.00 C ATOM 80 CD2 PHE A 7 5.873 15.964 6.641 1.00 0.00 C ATOM 81 CE1 PHE A 7 8.217 14.767 7.454 1.00 0.00 C ATOM 82 CE2 PHE A 7 5.834 14.759 7.311 1.00 0.00 C ATOM 83 CZ PHE A 7 7.008 14.160 7.718 1.00 0.00 C ATOM 0 H PHE A 7 5.724 16.360 4.183 1.00 0.00 H new ATOM 0 HA PHE A 7 7.187 18.799 3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.939 18.497 6.025 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.194 18.454 5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.198 16.445 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.950 16.429 6.326 1.00 0.00 H new ATOM 0 HE1 PHE A 7 9.138 14.300 7.772 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.886 14.285 7.517 1.00 0.00 H new ATOM 0 HZ PHE A 7 6.980 13.217 8.243 1.00 0.00 H new ATOM 93 N GLY A 8 9.645 17.953 4.058 1.00 0.00 N ATOM 94 CA GLY A 8 10.988 17.507 3.792 1.00 0.00 C ATOM 95 C GLY A 8 11.638 16.873 4.997 1.00 0.00 C ATOM 96 O GLY A 8 11.262 15.781 5.409 1.00 0.00 O ATOM 0 H GLY A 8 9.583 18.871 4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.973 16.789 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.590 18.354 3.463 1.00 0.00 H new ATOM 100 N ALA A 9 12.614 17.562 5.566 1.00 0.00 N ATOM 101 CA ALA A 9 13.326 17.056 6.729 1.00 0.00 C ATOM 102 C ALA A 9 13.529 18.163 7.750 1.00 0.00 C ATOM 103 O ALA A 9 14.337 18.035 8.673 1.00 0.00 O ATOM 104 CB ALA A 9 14.667 16.470 6.307 1.00 0.00 C ATOM 0 H ALA A 9 12.932 18.475 5.241 1.00 0.00 H new ATOM 0 HA ALA A 9 12.729 16.269 7.190 1.00 0.00 H new ATOM 0 HB1 ALA A 9 15.192 16.094 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.502 15.653 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.268 17.244 5.829 1.00 0.00 H new ATOM 110 N GLY A 10 12.781 19.237 7.592 1.00 0.00 N ATOM 111 CA GLY A 10 12.901 20.366 8.489 1.00 0.00 C ATOM 112 C GLY A 10 12.366 21.637 7.871 1.00 0.00 C ATOM 113 O GLY A 10 13.125 22.549 7.553 1.00 0.00 O ATOM 0 H GLY A 10 12.087 19.350 6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.360 20.156 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.948 20.506 8.758 1.00 0.00 H new ATOM 117 N CYS A 11 11.067 21.683 7.671 1.00 0.00 N ATOM 118 CA CYS A 11 10.429 22.855 7.096 1.00 0.00 C ATOM 119 C CYS A 11 10.090 23.885 8.157 1.00 0.00 C ATOM 120 O CYS A 11 9.986 23.565 9.342 1.00 0.00 O ATOM 121 CB CYS A 11 9.153 22.467 6.353 1.00 0.00 C ATOM 122 SG CYS A 11 9.396 21.295 5.012 1.00 0.00 S ATOM 0 H CYS A 11 10.427 20.922 7.898 1.00 0.00 H new ATOM 0 HA CYS A 11 11.141 23.294 6.397 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.448 22.041 7.067 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.694 23.370 5.950 1.00 0.00 H new ATOM 127 N THR A 12 9.934 25.122 7.727 1.00 0.00 N ATOM 128 CA THR A 12 9.528 26.184 8.593 1.00 0.00 C ATOM 129 C THR A 12 8.000 26.216 8.683 1.00 0.00 C ATOM 130 O THR A 12 7.310 25.592 7.863 1.00 0.00 O ATOM 131 CB THR A 12 10.049 27.514 8.045 1.00 0.00 C ATOM 132 OG1 THR A 12 9.797 27.568 6.633 1.00 0.00 O ATOM 133 CG2 THR A 12 11.539 27.640 8.284 1.00 0.00 C ATOM 0 H THR A 12 10.089 25.408 6.760 1.00 0.00 H new ATOM 0 HA THR A 12 9.939 26.022 9.589 1.00 0.00 H new ATOM 0 HB THR A 12 9.539 28.331 8.555 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.197 28.381 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.892 28.592 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.741 27.595 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 12 12.058 26.823 7.782 1.00 0.00 H new ATOM 141 N ASP A 13 7.468 26.934 9.661 1.00 0.00 N ATOM 142 CA ASP A 13 6.016 27.012 9.844 1.00 0.00 C ATOM 143 C ASP A 13 5.355 27.767 8.707 1.00 0.00 C ATOM 144 O ASP A 13 4.178 27.549 8.403 1.00 0.00 O ATOM 145 CB ASP A 13 5.656 27.657 11.183 1.00 0.00 C ATOM 146 CG ASP A 13 5.820 26.709 12.347 1.00 0.00 C ATOM 147 OD1 ASP A 13 6.901 26.701 12.969 1.00 0.00 O ATOM 148 OD2 ASP A 13 4.865 25.955 12.645 1.00 0.00 O ATOM 0 H ASP A 13 8.011 27.469 10.339 1.00 0.00 H new ATOM 0 HA ASP A 13 5.639 25.989 9.843 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.285 28.533 11.341 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.625 28.008 11.147 1.00 0.00 H new ATOM 153 N VAL A 14 6.115 28.639 8.068 1.00 0.00 N ATOM 154 CA VAL A 14 5.615 29.426 6.952 1.00 0.00 C ATOM 155 C VAL A 14 5.306 28.530 5.740 1.00 0.00 C ATOM 156 O VAL A 14 4.468 28.863 4.900 1.00 0.00 O ATOM 157 CB VAL A 14 6.617 30.552 6.558 1.00 0.00 C ATOM 158 CG1 VAL A 14 7.910 29.982 6.011 1.00 0.00 C ATOM 159 CG2 VAL A 14 5.999 31.515 5.569 1.00 0.00 C ATOM 0 H VAL A 14 7.090 28.822 8.305 1.00 0.00 H new ATOM 0 HA VAL A 14 4.687 29.899 7.274 1.00 0.00 H new ATOM 0 HB VAL A 14 6.854 31.104 7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.584 30.797 5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.379 29.354 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.698 29.385 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.723 32.289 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.712 30.975 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.117 31.976 6.013 1.00 0.00 H new ATOM 169 N CYS A 15 5.958 27.377 5.681 1.00 0.00 N ATOM 170 CA CYS A 15 5.746 26.434 4.595 1.00 0.00 C ATOM 171 C CYS A 15 4.440 25.676 4.806 1.00 0.00 C ATOM 172 O CYS A 15 3.788 25.248 3.853 1.00 0.00 O ATOM 173 CB CYS A 15 6.921 25.456 4.513 1.00 0.00 C ATOM 174 SG CYS A 15 6.732 24.157 3.274 1.00 0.00 S ATOM 0 H CYS A 15 6.640 27.073 6.376 1.00 0.00 H new ATOM 0 HA CYS A 15 5.682 26.984 3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.830 26.018 4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.059 24.991 5.489 1.00 0.00 H new ATOM 179 N LYS A 16 4.042 25.544 6.063 1.00 0.00 N ATOM 180 CA LYS A 16 2.832 24.818 6.406 1.00 0.00 C ATOM 181 C LYS A 16 1.601 25.726 6.310 1.00 0.00 C ATOM 182 O LYS A 16 0.496 25.348 6.713 1.00 0.00 O ATOM 183 CB LYS A 16 2.965 24.204 7.809 1.00 0.00 C ATOM 184 CG LYS A 16 4.231 23.360 7.985 1.00 0.00 C ATOM 185 CD LYS A 16 4.245 22.153 7.046 1.00 0.00 C ATOM 186 CE LYS A 16 5.642 21.864 6.544 1.00 0.00 C ATOM 187 NZ LYS A 16 5.633 20.845 5.471 1.00 0.00 N ATOM 0 H LYS A 16 4.542 25.932 6.863 1.00 0.00 H new ATOM 0 HA LYS A 16 2.696 24.008 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.965 25.004 8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.092 23.583 8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.109 23.978 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.299 23.018 9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.856 21.279 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.584 22.340 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.093 22.783 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.262 21.518 7.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.592 20.461 5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.982 20.076 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.319 21.281 4.581 1.00 0.00 H new ATOM 201 N GLN A 17 1.799 26.918 5.753 1.00 0.00 N ATOM 202 CA GLN A 17 0.716 27.873 5.557 1.00 0.00 C ATOM 203 C GLN A 17 -0.192 27.446 4.413 1.00 0.00 C ATOM 204 O GLN A 17 0.004 26.393 3.803 1.00 0.00 O ATOM 205 CB GLN A 17 1.261 29.270 5.272 1.00 0.00 C ATOM 206 CG GLN A 17 1.710 30.028 6.500 1.00 0.00 C ATOM 207 CD GLN A 17 2.230 31.409 6.162 1.00 0.00 C ATOM 208 OE1 GLN A 17 1.824 32.017 5.173 1.00 0.00 O ATOM 209 NE2 GLN A 17 3.119 31.919 6.991 1.00 0.00 N ATOM 0 H GLN A 17 2.708 27.246 5.427 1.00 0.00 H new ATOM 0 HA GLN A 17 0.138 27.897 6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.103 29.185 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.491 29.850 4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.875 30.116 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.491 29.462 7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.429 31.381 7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.497 32.852 6.823 1.00 0.00 H new ATOM 218 N THR A 18 -1.176 28.267 4.125 1.00 0.00 N ATOM 219 CA THR A 18 -2.126 27.990 3.062 1.00 0.00 C ATOM 220 C THR A 18 -2.738 29.298 2.536 1.00 0.00 C ATOM 221 O THR A 18 -3.538 29.937 3.222 1.00 0.00 O ATOM 222 CB THR A 18 -3.244 27.033 3.539 1.00 0.00 C ATOM 223 OG1 THR A 18 -2.652 25.829 4.051 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.178 26.679 2.391 1.00 0.00 C ATOM 0 H THR A 18 -1.344 29.144 4.617 1.00 0.00 H new ATOM 0 HA THR A 18 -1.585 27.499 2.253 1.00 0.00 H new ATOM 0 HB THR A 18 -3.819 27.532 4.319 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.358 25.221 4.356 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.956 26.005 2.750 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.636 27.588 2.001 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.611 26.190 1.599 1.00 0.00 H new ATOM 232 N PRO A 19 -2.337 29.734 1.324 1.00 0.00 N ATOM 233 CA PRO A 19 -1.352 29.026 0.498 1.00 0.00 C ATOM 234 C PRO A 19 0.039 29.069 1.117 1.00 0.00 C ATOM 235 O PRO A 19 0.276 29.807 2.079 1.00 0.00 O ATOM 236 CB PRO A 19 -1.368 29.804 -0.823 1.00 0.00 C ATOM 237 CG PRO A 19 -1.841 31.159 -0.453 1.00 0.00 C ATOM 238 CD PRO A 19 -2.813 30.961 0.672 1.00 0.00 C ATOM 0 HA PRO A 19 -1.593 27.969 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.376 29.840 -1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.032 29.337 -1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.009 31.792 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.319 31.651 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.810 31.808 1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.834 30.851 0.306 1.00 0.00 H new ATOM 246 N CYS A 20 0.939 28.273 0.573 1.00 0.00 N ATOM 247 CA CYS A 20 2.297 28.187 1.070 1.00 0.00 C ATOM 248 C CYS A 20 2.925 29.571 1.181 1.00 0.00 C ATOM 249 O CYS A 20 2.987 30.327 0.204 1.00 0.00 O ATOM 250 CB CYS A 20 3.127 27.301 0.166 1.00 0.00 C ATOM 251 SG CYS A 20 4.801 27.042 0.746 1.00 0.00 S ATOM 0 H CYS A 20 0.749 27.668 -0.226 1.00 0.00 H new ATOM 0 HA CYS A 20 2.271 27.748 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.633 26.334 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.162 27.744 -0.829 1.00 0.00 H new ATOM 256 N GLY A 21 3.397 29.889 2.369 1.00 0.00 N ATOM 257 CA GLY A 21 3.938 31.192 2.621 1.00 0.00 C ATOM 258 C GLY A 21 5.368 31.351 2.142 1.00 0.00 C ATOM 259 O GLY A 21 5.882 32.462 2.084 1.00 0.00 O ATOM 0 H GLY A 21 3.413 29.257 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.313 31.938 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.896 31.394 3.691 1.00 0.00 H new ATOM 263 N CYS A 22 6.011 30.249 1.774 1.00 0.00 N ATOM 264 CA CYS A 22 7.401 30.295 1.299 1.00 0.00 C ATOM 265 C CYS A 22 7.538 31.102 0.013 1.00 0.00 C ATOM 266 O CYS A 22 8.614 31.599 -0.304 1.00 0.00 O ATOM 267 CB CYS A 22 7.951 28.889 1.079 1.00 0.00 C ATOM 268 SG CYS A 22 8.295 27.984 2.592 1.00 0.00 S ATOM 0 H CYS A 22 5.601 29.315 1.793 1.00 0.00 H new ATOM 0 HA CYS A 22 7.981 30.791 2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.236 28.321 0.484 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.868 28.958 0.494 1.00 0.00 H new ATOM 273 N ALA A 23 6.449 31.250 -0.710 1.00 0.00 N ATOM 274 CA ALA A 23 6.482 31.954 -1.976 1.00 0.00 C ATOM 275 C ALA A 23 6.159 33.436 -1.822 1.00 0.00 C ATOM 276 O ALA A 23 6.226 34.192 -2.789 1.00 0.00 O ATOM 277 CB ALA A 23 5.530 31.306 -2.958 1.00 0.00 C ATOM 0 H ALA A 23 5.531 30.893 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 23 7.500 31.886 -2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.563 31.843 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.823 30.269 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.517 31.339 -2.558 1.00 0.00 H new ATOM 283 N THR A 24 5.815 33.852 -0.617 1.00 0.00 N ATOM 284 CA THR A 24 5.468 35.246 -0.381 1.00 0.00 C ATOM 285 C THR A 24 6.244 35.831 0.808 1.00 0.00 C ATOM 286 O THR A 24 6.439 37.038 0.896 1.00 0.00 O ATOM 287 CB THR A 24 3.937 35.417 -0.159 1.00 0.00 C ATOM 288 OG1 THR A 24 3.603 36.801 -0.024 1.00 0.00 O ATOM 289 CG2 THR A 24 3.472 34.659 1.077 1.00 0.00 C ATOM 0 H THR A 24 5.768 33.253 0.208 1.00 0.00 H new ATOM 0 HA THR A 24 5.753 35.799 -1.276 1.00 0.00 H new ATOM 0 HB THR A 24 3.429 35.006 -1.031 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.637 36.892 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.399 34.797 1.206 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.689 33.598 0.956 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.995 35.039 1.955 1.00 0.00 H new ATOM 297 N SER A 25 6.687 34.971 1.706 1.00 0.00 N ATOM 298 CA SER A 25 7.409 35.409 2.885 1.00 0.00 C ATOM 299 C SER A 25 8.879 34.991 2.817 1.00 0.00 C ATOM 300 O SER A 25 9.759 35.693 3.316 1.00 0.00 O ATOM 301 CB SER A 25 6.752 34.827 4.142 1.00 0.00 C ATOM 302 OG SER A 25 7.363 35.311 5.325 1.00 0.00 O ATOM 0 H SER A 25 6.559 33.961 1.640 1.00 0.00 H new ATOM 0 HA SER A 25 7.370 36.497 2.928 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.692 35.081 4.150 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.819 33.739 4.117 1.00 0.00 H new ATOM 0 HG SER A 25 6.918 34.921 6.106 1.00 0.00 H new ATOM 308 N GLY A 26 9.145 33.858 2.189 1.00 0.00 N ATOM 309 CA GLY A 26 10.503 33.377 2.108 1.00 0.00 C ATOM 310 C GLY A 26 10.583 31.881 2.267 1.00 0.00 C ATOM 311 O GLY A 26 9.862 31.297 3.074 1.00 0.00 O ATOM 0 H GLY A 26 8.448 33.267 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.932 33.663 1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.104 33.856 2.881 1.00 0.00 H new ATOM 315 N CYS A 27 11.450 31.266 1.496 1.00 0.00 N ATOM 316 CA CYS A 27 11.620 29.827 1.522 1.00 0.00 C ATOM 317 C CYS A 27 12.807 29.468 2.416 1.00 0.00 C ATOM 318 O CYS A 27 13.935 29.889 2.152 1.00 0.00 O ATOM 319 CB CYS A 27 11.848 29.334 0.098 1.00 0.00 C ATOM 320 SG CYS A 27 11.653 27.568 -0.116 1.00 0.00 S ATOM 0 H CYS A 27 12.058 31.746 0.833 1.00 0.00 H new ATOM 0 HA CYS A 27 10.729 29.348 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.152 29.847 -0.566 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.853 29.616 -0.214 1.00 0.00 H new ATOM 325 N ASN A 28 12.560 28.696 3.479 1.00 0.00 N ATOM 326 CA ASN A 28 13.621 28.397 4.453 1.00 0.00 C ATOM 327 C ASN A 28 13.727 26.912 4.787 1.00 0.00 C ATOM 328 O ASN A 28 14.517 26.530 5.652 1.00 0.00 O ATOM 329 CB ASN A 28 13.369 29.163 5.751 1.00 0.00 C ATOM 330 CG ASN A 28 13.404 30.663 5.589 1.00 0.00 C ATOM 331 OD1 ASN A 28 14.196 31.205 4.820 1.00 0.00 O ATOM 332 ND2 ASN A 28 12.528 31.336 6.303 1.00 0.00 N ATOM 0 H ASN A 28 11.655 28.273 3.687 1.00 0.00 H new ATOM 0 HA ASN A 28 14.557 28.705 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.397 28.873 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.117 28.869 6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.485 32.353 6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.891 30.841 6.928 1.00 0.00 H new ATOM 339 N CYS A 29 12.957 26.081 4.133 1.00 0.00 N ATOM 340 CA CYS A 29 12.977 24.661 4.439 1.00 0.00 C ATOM 341 C CYS A 29 14.086 23.920 3.691 1.00 0.00 C ATOM 342 O CYS A 29 14.869 24.519 2.953 1.00 0.00 O ATOM 343 CB CYS A 29 11.627 24.043 4.145 1.00 0.00 C ATOM 344 SG CYS A 29 10.946 24.523 2.575 1.00 0.00 S ATOM 0 H CYS A 29 12.312 26.352 3.391 1.00 0.00 H new ATOM 0 HA CYS A 29 13.192 24.560 5.503 1.00 0.00 H new ATOM 0 HB2 CYS A 29 11.721 22.957 4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.930 24.324 4.934 1.00 0.00 H new ATOM 349 N THR A 30 14.139 22.618 3.903 1.00 0.00 N ATOM 350 CA THR A 30 15.148 21.764 3.305 1.00 0.00 C ATOM 351 C THR A 30 14.798 21.406 1.860 1.00 0.00 C ATOM 352 O THR A 30 13.629 21.459 1.468 1.00 0.00 O ATOM 353 CB THR A 30 15.267 20.465 4.115 1.00 0.00 C ATOM 354 OG1 THR A 30 13.955 19.882 4.273 1.00 0.00 O ATOM 355 CG2 THR A 30 15.873 20.735 5.485 1.00 0.00 C ATOM 0 H THR A 30 13.478 22.120 4.499 1.00 0.00 H new ATOM 0 HA THR A 30 16.091 22.311 3.311 1.00 0.00 H new ATOM 0 HB THR A 30 15.920 19.776 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.775 19.274 3.526 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.947 19.800 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 30 16.867 21.166 5.365 1.00 0.00 H new ATOM 0 HG23 THR A 30 15.239 21.433 6.032 1.00 0.00 H new ATOM 363 N ASP A 31 15.813 21.014 1.087 1.00 0.00 N ATOM 364 CA ASP A 31 15.626 20.582 -0.311 1.00 0.00 C ATOM 365 C ASP A 31 14.693 19.395 -0.374 1.00 0.00 C ATOM 366 O ASP A 31 13.958 19.218 -1.335 1.00 0.00 O ATOM 367 CB ASP A 31 16.964 20.187 -0.949 1.00 0.00 C ATOM 368 CG ASP A 31 17.834 21.364 -1.317 1.00 0.00 C ATOM 369 OD1 ASP A 31 18.580 21.263 -2.313 1.00 0.00 O ATOM 370 OD2 ASP A 31 17.795 22.388 -0.612 1.00 0.00 O ATOM 0 H ASP A 31 16.782 20.985 1.403 1.00 0.00 H new ATOM 0 HA ASP A 31 15.199 21.422 -0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.510 19.545 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.769 19.597 -1.845 1.00 0.00 H new ATOM 375 N ASP A 32 14.718 18.591 0.684 1.00 0.00 N ATOM 376 CA ASP A 32 13.892 17.390 0.779 1.00 0.00 C ATOM 377 C ASP A 32 12.405 17.712 0.821 1.00 0.00 C ATOM 378 O ASP A 32 11.578 16.804 0.795 1.00 0.00 O ATOM 379 CB ASP A 32 14.275 16.564 2.012 1.00 0.00 C ATOM 380 CG ASP A 32 15.570 15.808 1.832 1.00 0.00 C ATOM 381 OD1 ASP A 32 16.642 16.375 2.132 1.00 0.00 O ATOM 382 OD2 ASP A 32 15.524 14.644 1.395 1.00 0.00 O ATOM 0 H ASP A 32 15.310 18.752 1.499 1.00 0.00 H new ATOM 0 HA ASP A 32 14.082 16.808 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.363 17.226 2.874 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.475 15.857 2.233 1.00 0.00 H new ATOM 387 N CYS A 33 12.064 18.999 0.915 1.00 0.00 N ATOM 388 CA CYS A 33 10.676 19.419 0.932 1.00 0.00 C ATOM 389 C CYS A 33 9.956 18.953 -0.327 1.00 0.00 C ATOM 390 O CYS A 33 10.290 19.363 -1.440 1.00 0.00 O ATOM 391 CB CYS A 33 10.573 20.928 1.062 1.00 0.00 C ATOM 392 SG CYS A 33 8.891 21.558 0.893 1.00 0.00 S ATOM 0 H CYS A 33 12.736 19.763 0.980 1.00 0.00 H new ATOM 0 HA CYS A 33 10.197 18.961 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.968 21.228 2.033 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.203 21.393 0.304 1.00 0.00 H new ATOM 397 N LYS A 34 8.960 18.118 -0.135 1.00 0.00 N ATOM 398 CA LYS A 34 8.221 17.536 -1.233 1.00 0.00 C ATOM 399 C LYS A 34 6.945 18.332 -1.542 1.00 0.00 C ATOM 400 O LYS A 34 6.042 17.832 -2.222 1.00 0.00 O ATOM 401 CB LYS A 34 7.891 16.075 -0.899 1.00 0.00 C ATOM 402 CG LYS A 34 9.128 15.176 -0.801 1.00 0.00 C ATOM 403 CD LYS A 34 8.773 13.734 -0.431 1.00 0.00 C ATOM 404 CE LYS A 34 8.246 13.634 0.994 1.00 0.00 C ATOM 405 NZ LYS A 34 7.842 12.247 1.341 1.00 0.00 N ATOM 0 H LYS A 34 8.639 17.823 0.787 1.00 0.00 H new ATOM 0 HA LYS A 34 8.839 17.572 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.350 16.040 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.223 15.678 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.656 15.184 -1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.811 15.582 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.023 13.354 -1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.655 13.103 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.014 13.973 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.392 14.301 1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.194 12.267 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.362 11.811 0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.686 11.690 1.584 1.00 0.00 H new ATOM 419 N CYS A 35 6.887 19.580 -1.059 1.00 0.00 N ATOM 420 CA CYS A 35 5.731 20.438 -1.285 1.00 0.00 C ATOM 421 C CYS A 35 5.693 20.883 -2.738 1.00 0.00 C ATOM 422 O CYS A 35 6.716 21.268 -3.310 1.00 0.00 O ATOM 423 CB CYS A 35 5.764 21.658 -0.345 1.00 0.00 C ATOM 424 SG CYS A 35 4.293 22.729 -0.424 1.00 0.00 S ATOM 0 H CYS A 35 7.630 20.012 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 35 4.827 19.870 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.884 21.306 0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.644 22.256 -0.581 1.00 0.00 H new ATOM 429 N GLN A 36 4.520 20.844 -3.327 1.00 0.00 N ATOM 430 CA GLN A 36 4.359 21.176 -4.731 1.00 0.00 C ATOM 431 C GLN A 36 4.067 22.662 -4.904 1.00 0.00 C ATOM 432 O GLN A 36 3.753 23.122 -6.002 1.00 0.00 O ATOM 433 CB GLN A 36 3.223 20.342 -5.326 1.00 0.00 C ATOM 434 CG GLN A 36 3.330 18.860 -4.999 1.00 0.00 C ATOM 435 CD GLN A 36 2.180 18.042 -5.553 1.00 0.00 C ATOM 436 OE1 GLN A 36 1.067 18.537 -5.713 1.00 0.00 O ATOM 437 NE2 GLN A 36 2.444 16.785 -5.840 1.00 0.00 N ATOM 0 H GLN A 36 3.654 20.584 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 36 5.287 20.949 -5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.271 20.721 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.217 20.469 -6.409 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.268 18.473 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.368 18.735 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.383 16.414 -5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.710 16.182 -6.211 1.00 0.00 H new ATOM 446 N SER A 37 4.188 23.408 -3.823 1.00 0.00 N ATOM 447 CA SER A 37 3.891 24.821 -3.841 1.00 0.00 C ATOM 448 C SER A 37 5.152 25.655 -4.061 1.00 0.00 C ATOM 449 O SER A 37 5.280 26.343 -5.075 1.00 0.00 O ATOM 450 CB SER A 37 3.220 25.216 -2.534 1.00 0.00 C ATOM 451 OG SER A 37 2.221 24.273 -2.180 1.00 0.00 O ATOM 0 H SER A 37 4.492 23.053 -2.917 1.00 0.00 H new ATOM 0 HA SER A 37 3.216 25.019 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.965 25.279 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.775 26.206 -2.632 1.00 0.00 H new ATOM 0 HG SER A 37 2.605 23.599 -1.581 1.00 0.00 H new ATOM 457 N CYS A 38 6.105 25.564 -3.137 1.00 0.00 N ATOM 458 CA CYS A 38 7.316 26.377 -3.220 1.00 0.00 C ATOM 459 C CYS A 38 8.324 25.814 -4.227 1.00 0.00 C ATOM 460 O CYS A 38 9.413 26.361 -4.404 1.00 0.00 O ATOM 461 CB CYS A 38 7.957 26.549 -1.826 1.00 0.00 C ATOM 462 SG CYS A 38 8.172 25.011 -0.881 1.00 0.00 S ATOM 0 H CYS A 38 6.064 24.942 -2.330 1.00 0.00 H new ATOM 0 HA CYS A 38 7.020 27.360 -3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.932 27.022 -1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.341 27.233 -1.242 1.00 0.00 H new ATOM 467 N LYS A 39 7.940 24.740 -4.909 1.00 0.00 N ATOM 468 CA LYS A 39 8.816 24.091 -5.883 1.00 0.00 C ATOM 469 C LYS A 39 8.429 24.439 -7.315 1.00 0.00 C ATOM 470 O LYS A 39 9.041 23.962 -8.270 1.00 0.00 O ATOM 471 CB LYS A 39 8.824 22.571 -5.674 1.00 0.00 C ATOM 472 CG LYS A 39 9.829 22.101 -4.631 1.00 0.00 C ATOM 473 CD LYS A 39 9.592 22.763 -3.288 1.00 0.00 C ATOM 474 CE LYS A 39 10.762 22.531 -2.342 1.00 0.00 C ATOM 475 NZ LYS A 39 10.633 23.318 -1.081 1.00 0.00 N ATOM 0 H LYS A 39 7.026 24.298 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 39 9.825 24.470 -5.720 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.826 22.249 -5.375 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.045 22.084 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.760 21.019 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.840 22.323 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.443 23.833 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.678 22.370 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.827 21.470 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.691 22.801 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.578 23.493 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.170 24.227 -1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.062 22.784 -0.395 1.00 0.00 H new ATOM 489 N TYR A 40 7.423 25.270 -7.463 1.00 0.00 N ATOM 490 CA TYR A 40 6.995 25.704 -8.777 1.00 0.00 C ATOM 491 C TYR A 40 7.700 26.992 -9.161 1.00 0.00 C ATOM 492 O TYR A 40 8.032 27.813 -8.300 1.00 0.00 O ATOM 493 CB TYR A 40 5.467 25.854 -8.829 1.00 0.00 C ATOM 494 CG TYR A 40 4.939 26.717 -9.960 1.00 0.00 C ATOM 495 CD1 TYR A 40 4.745 26.196 -11.232 1.00 0.00 C ATOM 496 CD2 TYR A 40 4.632 28.055 -9.747 1.00 0.00 C ATOM 497 CE1 TYR A 40 4.263 26.986 -12.259 1.00 0.00 C ATOM 498 CE2 TYR A 40 4.149 28.849 -10.766 1.00 0.00 C ATOM 499 CZ TYR A 40 3.967 28.312 -12.020 1.00 0.00 C ATOM 500 OH TYR A 40 3.492 29.103 -13.040 1.00 0.00 O ATOM 0 H TYR A 40 6.884 25.660 -6.690 1.00 0.00 H new ATOM 0 HA TYR A 40 7.271 24.943 -9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.024 24.862 -8.913 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.127 26.276 -7.883 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.974 25.158 -11.422 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.774 28.481 -8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.119 26.567 -13.244 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.915 29.887 -10.581 1.00 0.00 H new ATOM 0 HH TYR A 40 3.333 30.010 -12.704 1.00 0.00 H new ATOM 510 N GLY A 41 7.953 27.150 -10.442 1.00 0.00 N ATOM 511 CA GLY A 41 8.643 28.319 -10.932 1.00 0.00 C ATOM 512 C GLY A 41 10.128 28.091 -10.987 1.00 0.00 C ATOM 513 O GLY A 41 10.741 28.181 -12.043 1.00 0.00 O ATOM 0 H GLY A 41 7.689 26.480 -11.164 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.274 28.572 -11.926 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.427 29.170 -10.286 1.00 0.00 H new ATOM 517 N ALA A 42 10.697 27.757 -9.849 1.00 0.00 N ATOM 518 CA ALA A 42 12.121 27.507 -9.744 1.00 0.00 C ATOM 519 C ALA A 42 12.429 26.027 -9.935 1.00 0.00 C ATOM 520 O ALA A 42 13.559 25.583 -9.739 1.00 0.00 O ATOM 521 CB ALA A 42 12.623 27.978 -8.392 1.00 0.00 C ATOM 0 H ALA A 42 10.188 27.651 -8.971 1.00 0.00 H new ATOM 0 HA ALA A 42 12.631 28.062 -10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.694 27.789 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.435 29.046 -8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.102 27.438 -7.602 1.00 0.00 H new ATOM 527 N GLY A 43 11.432 25.266 -10.341 1.00 0.00 N ATOM 528 CA GLY A 43 11.636 23.853 -10.502 1.00 0.00 C ATOM 529 C GLY A 43 10.741 23.205 -11.529 1.00 0.00 C ATOM 530 O GLY A 43 10.654 22.002 -11.571 1.00 0.00 O ATOM 0 H GLY A 43 10.493 25.600 -10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.675 23.678 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.478 23.364 -9.541 1.00 0.00 H new ATOM 534 N CYS A 44 10.103 23.984 -12.371 1.00 0.00 N ATOM 535 CA CYS A 44 9.206 23.412 -13.369 1.00 0.00 C ATOM 536 C CYS A 44 9.093 24.297 -14.583 1.00 0.00 C ATOM 537 O CYS A 44 9.532 25.448 -14.569 1.00 0.00 O ATOM 538 CB CYS A 44 7.809 23.138 -12.778 1.00 0.00 C ATOM 539 SG CYS A 44 7.678 21.588 -11.854 1.00 0.00 S ATOM 0 H CYS A 44 10.181 25.001 -12.393 1.00 0.00 H new ATOM 0 HA CYS A 44 9.640 22.462 -13.679 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.539 23.963 -12.119 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.081 23.126 -13.589 1.00 0.00 H new ATOM 544 N THR A 45 8.513 23.756 -15.629 1.00 0.00 N ATOM 545 CA THR A 45 8.301 24.483 -16.843 1.00 0.00 C ATOM 546 C THR A 45 6.839 24.354 -17.242 1.00 0.00 C ATOM 547 O THR A 45 6.110 23.524 -16.688 1.00 0.00 O ATOM 548 CB THR A 45 9.217 23.961 -17.984 1.00 0.00 C ATOM 549 OG1 THR A 45 9.083 24.783 -19.148 1.00 0.00 O ATOM 550 CG2 THR A 45 8.875 22.524 -18.341 1.00 0.00 C ATOM 0 H THR A 45 8.176 22.794 -15.654 1.00 0.00 H new ATOM 0 HA THR A 45 8.553 25.530 -16.676 1.00 0.00 H new ATOM 0 HB THR A 45 10.247 24.001 -17.628 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.767 24.238 -19.899 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.530 22.182 -19.142 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.011 21.889 -17.465 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.838 22.468 -18.672 1.00 0.00 H new ATOM 558 N ASP A 46 6.424 25.147 -18.200 1.00 0.00 N ATOM 559 CA ASP A 46 5.033 25.156 -18.658 1.00 0.00 C ATOM 560 C ASP A 46 4.657 23.830 -19.306 1.00 0.00 C ATOM 561 O ASP A 46 3.492 23.446 -19.334 1.00 0.00 O ATOM 562 CB ASP A 46 4.799 26.306 -19.651 1.00 0.00 C ATOM 563 CG ASP A 46 5.586 26.144 -20.943 1.00 0.00 C ATOM 564 OD1 ASP A 46 5.025 25.609 -21.923 1.00 0.00 O ATOM 565 OD2 ASP A 46 6.770 26.551 -20.984 1.00 0.00 O ATOM 0 H ASP A 46 7.029 25.806 -18.690 1.00 0.00 H new ATOM 0 HA ASP A 46 4.399 25.304 -17.784 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.736 26.367 -19.885 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.076 27.249 -19.179 1.00 0.00 H new ATOM 570 N THR A 47 5.649 23.125 -19.789 1.00 0.00 N ATOM 571 CA THR A 47 5.438 21.871 -20.467 1.00 0.00 C ATOM 572 C THR A 47 5.246 20.724 -19.459 1.00 0.00 C ATOM 573 O THR A 47 4.754 19.650 -19.804 1.00 0.00 O ATOM 574 CB THR A 47 6.630 21.582 -21.382 1.00 0.00 C ATOM 575 OG1 THR A 47 7.052 22.811 -21.994 1.00 0.00 O ATOM 576 CG2 THR A 47 6.248 20.604 -22.468 1.00 0.00 C ATOM 0 H THR A 47 6.628 23.405 -19.723 1.00 0.00 H new ATOM 0 HA THR A 47 4.530 21.944 -21.065 1.00 0.00 H new ATOM 0 HB THR A 47 7.434 21.150 -20.786 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.817 22.638 -22.582 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.111 20.414 -23.106 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.918 19.669 -22.016 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.439 21.023 -23.067 1.00 0.00 H new ATOM 584 N CYS A 48 5.602 20.978 -18.213 1.00 0.00 N ATOM 585 CA CYS A 48 5.474 19.975 -17.156 1.00 0.00 C ATOM 586 C CYS A 48 4.161 20.178 -16.410 1.00 0.00 C ATOM 587 O CYS A 48 3.772 19.375 -15.564 1.00 0.00 O ATOM 588 CB CYS A 48 6.664 20.064 -16.185 1.00 0.00 C ATOM 589 SG CYS A 48 6.686 18.798 -14.883 1.00 0.00 S ATOM 0 H CYS A 48 5.984 21.871 -17.901 1.00 0.00 H new ATOM 0 HA CYS A 48 5.475 18.983 -17.607 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.588 19.991 -16.758 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.658 21.047 -15.715 1.00 0.00 H new ATOM 594 N LYS A 49 3.471 21.264 -16.734 1.00 0.00 N ATOM 595 CA LYS A 49 2.191 21.567 -16.096 1.00 0.00 C ATOM 596 C LYS A 49 1.072 20.771 -16.733 1.00 0.00 C ATOM 597 O LYS A 49 -0.061 20.787 -16.259 1.00 0.00 O ATOM 598 CB LYS A 49 1.860 23.056 -16.199 1.00 0.00 C ATOM 599 CG LYS A 49 3.018 23.981 -15.914 1.00 0.00 C ATOM 600 CD LYS A 49 3.646 23.713 -14.555 1.00 0.00 C ATOM 601 CE LYS A 49 2.697 23.999 -13.386 1.00 0.00 C ATOM 602 NZ LYS A 49 1.843 22.830 -13.036 1.00 0.00 N ATOM 0 H LYS A 49 3.771 21.947 -17.430 1.00 0.00 H new ATOM 0 HA LYS A 49 2.282 21.293 -15.045 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.486 23.263 -17.202 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.052 23.283 -15.504 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.774 23.865 -16.691 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.674 25.015 -15.956 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.966 22.672 -14.509 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.540 24.327 -14.447 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.281 24.291 -12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.059 24.846 -13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.578 22.882 -12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.984 22.840 -13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.370 21.951 -13.210 1.00 0.00 H new ATOM 616 N GLN A 50 1.393 20.078 -17.808 1.00 0.00 N ATOM 617 CA GLN A 50 0.411 19.301 -18.531 1.00 0.00 C ATOM 618 C GLN A 50 0.110 17.998 -17.790 1.00 0.00 C ATOM 619 O GLN A 50 0.502 17.820 -16.639 1.00 0.00 O ATOM 620 CB GLN A 50 0.912 19.010 -19.942 1.00 0.00 C ATOM 621 CG GLN A 50 1.683 20.165 -20.544 1.00 0.00 C ATOM 622 CD GLN A 50 1.619 20.211 -22.046 1.00 0.00 C ATOM 623 OE1 GLN A 50 1.425 19.193 -22.710 1.00 0.00 O ATOM 624 NE2 GLN A 50 1.849 21.371 -22.583 1.00 0.00 N ATOM 0 H GLN A 50 2.334 20.039 -18.200 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.512 19.877 -18.599 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.550 18.126 -19.920 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.062 18.774 -20.582 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.293 21.100 -20.143 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.726 20.096 -20.235 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.004 22.186 -21.990 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.875 21.467 -23.598 1.00 0.00 H new ATOM 633 N THR A 51 -0.590 17.106 -18.434 1.00 0.00 N ATOM 634 CA THR A 51 -0.927 15.834 -17.836 1.00 0.00 C ATOM 635 C THR A 51 -0.907 14.725 -18.887 1.00 0.00 C ATOM 636 O THR A 51 -1.605 14.809 -19.893 1.00 0.00 O ATOM 637 CB THR A 51 -2.315 15.889 -17.156 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.344 16.977 -16.214 1.00 0.00 O ATOM 639 CG2 THR A 51 -2.619 14.586 -16.426 1.00 0.00 C ATOM 0 H THR A 51 -0.943 17.234 -19.382 1.00 0.00 H new ATOM 0 HA THR A 51 -0.178 15.616 -17.075 1.00 0.00 H new ATOM 0 HB THR A 51 -3.070 16.039 -17.928 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.224 17.014 -15.784 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.601 14.652 -15.957 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.612 13.760 -17.137 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.862 14.413 -15.661 1.00 0.00 H new ATOM 647 N PRO A 52 -0.083 13.679 -18.678 1.00 0.00 N ATOM 648 CA PRO A 52 0.803 13.572 -17.506 1.00 0.00 C ATOM 649 C PRO A 52 1.948 14.592 -17.538 1.00 0.00 C ATOM 650 O PRO A 52 2.309 15.164 -16.512 1.00 0.00 O ATOM 651 CB PRO A 52 1.356 12.146 -17.604 1.00 0.00 C ATOM 652 CG PRO A 52 1.242 11.792 -19.047 1.00 0.00 C ATOM 653 CD PRO A 52 0.017 12.495 -19.555 1.00 0.00 C ATOM 0 HA PRO A 52 0.269 13.775 -16.578 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.391 12.099 -17.266 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.786 11.457 -16.981 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.128 12.108 -19.597 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.154 10.713 -19.177 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.121 12.778 -20.603 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.869 11.864 -19.481 1.00 0.00 H new ATOM 661 N CYS A 53 2.505 14.802 -18.719 1.00 0.00 N ATOM 662 CA CYS A 53 3.585 15.745 -18.912 1.00 0.00 C ATOM 663 C CYS A 53 3.830 15.932 -20.398 1.00 0.00 C ATOM 664 O CYS A 53 3.603 15.011 -21.189 1.00 0.00 O ATOM 665 CB CYS A 53 4.854 15.229 -18.239 1.00 0.00 C ATOM 666 SG CYS A 53 6.211 16.425 -18.178 1.00 0.00 S ATOM 0 H CYS A 53 2.218 14.320 -19.571 1.00 0.00 H new ATOM 0 HA CYS A 53 3.313 16.701 -18.465 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.611 14.922 -17.222 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.195 14.339 -18.768 1.00 0.00 H new ATOM 671 N GLY A 54 4.261 17.116 -20.786 1.00 0.00 N ATOM 672 CA GLY A 54 4.556 17.363 -22.171 1.00 0.00 C ATOM 673 C GLY A 54 6.048 17.399 -22.442 1.00 0.00 C ATOM 674 O GLY A 54 6.466 17.439 -23.599 1.00 0.00 O ATOM 0 H GLY A 54 4.411 17.910 -20.164 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.096 16.587 -22.783 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.111 18.311 -22.472 1.00 0.00 H new ATOM 678 N CYS A 55 6.854 17.400 -21.376 1.00 0.00 N ATOM 679 CA CYS A 55 8.300 17.458 -21.511 1.00 0.00 C ATOM 680 C CYS A 55 8.838 16.213 -22.210 1.00 0.00 C ATOM 681 O CYS A 55 9.234 16.268 -23.372 1.00 0.00 O ATOM 682 CB CYS A 55 8.958 17.618 -20.137 1.00 0.00 C ATOM 683 SG CYS A 55 8.519 19.135 -19.261 1.00 0.00 S ATOM 0 H CYS A 55 6.523 17.361 -20.412 1.00 0.00 H new ATOM 0 HA CYS A 55 8.545 18.325 -22.124 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.684 16.764 -19.517 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.040 17.587 -20.262 1.00 0.00 H new ATOM 688 N GLY A 56 8.825 15.091 -21.502 1.00 0.00 N ATOM 689 CA GLY A 56 9.350 13.853 -22.053 1.00 0.00 C ATOM 690 C GLY A 56 10.832 13.961 -22.375 1.00 0.00 C ATOM 691 O GLY A 56 11.668 13.992 -21.473 1.00 0.00 O ATOM 0 H GLY A 56 8.459 15.014 -20.553 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.191 13.043 -21.342 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.799 13.596 -22.958 1.00 0.00 H new ATOM 695 N SER A 57 11.153 14.026 -23.654 1.00 0.00 N ATOM 696 CA SER A 57 12.528 14.177 -24.093 1.00 0.00 C ATOM 697 C SER A 57 12.800 15.622 -24.509 1.00 0.00 C ATOM 698 O SER A 57 13.922 15.982 -24.868 1.00 0.00 O ATOM 699 CB SER A 57 12.825 13.211 -25.240 1.00 0.00 C ATOM 700 OG SER A 57 11.779 13.229 -26.200 1.00 0.00 O ATOM 0 H SER A 57 10.473 13.976 -24.413 1.00 0.00 H new ATOM 0 HA SER A 57 13.191 13.935 -23.263 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.766 13.484 -25.717 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.947 12.201 -24.848 1.00 0.00 H new ATOM 0 HG SER A 57 11.990 12.605 -26.926 1.00 0.00 H new ATOM 706 N GLY A 58 11.764 16.443 -24.436 1.00 0.00 N ATOM 707 CA GLY A 58 11.882 17.841 -24.786 1.00 0.00 C ATOM 708 C GLY A 58 11.576 18.707 -23.596 1.00 0.00 C ATOM 709 O GLY A 58 10.686 19.556 -23.638 1.00 0.00 O ATOM 0 H GLY A 58 10.831 16.160 -24.136 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.890 18.049 -25.145 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.198 18.077 -25.601 1.00 0.00 H new ATOM 713 N CYS A 59 12.313 18.477 -22.533 1.00 0.00 N ATOM 714 CA CYS A 59 12.109 19.157 -21.271 1.00 0.00 C ATOM 715 C CYS A 59 12.684 20.583 -21.276 1.00 0.00 C ATOM 716 O CYS A 59 13.501 20.939 -22.132 1.00 0.00 O ATOM 717 CB CYS A 59 12.729 18.317 -20.154 1.00 0.00 C ATOM 718 SG CYS A 59 12.790 19.118 -18.548 1.00 0.00 S ATOM 0 H CYS A 59 13.080 17.805 -22.519 1.00 0.00 H new ATOM 0 HA CYS A 59 11.037 19.264 -21.103 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.163 17.390 -20.060 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.743 18.043 -20.446 1.00 0.00 H new ATOM 723 N ASN A 60 12.235 21.390 -20.316 1.00 0.00 N ATOM 724 CA ASN A 60 12.673 22.774 -20.187 1.00 0.00 C ATOM 725 C ASN A 60 12.558 23.234 -18.715 1.00 0.00 C ATOM 726 O ASN A 60 12.507 24.427 -18.418 1.00 0.00 O ATOM 727 CB ASN A 60 11.815 23.666 -21.097 1.00 0.00 C ATOM 728 CG ASN A 60 12.284 25.106 -21.143 1.00 0.00 C ATOM 729 OD1 ASN A 60 13.479 25.394 -21.050 1.00 0.00 O ATOM 730 ND2 ASN A 60 11.348 26.014 -21.278 1.00 0.00 N ATOM 0 H ASN A 60 11.559 21.101 -19.609 1.00 0.00 H new ATOM 0 HA ASN A 60 13.717 22.854 -20.490 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.823 23.256 -22.107 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.782 23.639 -20.750 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.597 27.003 -21.310 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.371 25.732 -21.352 1.00 0.00 H new ATOM 737 N CYS A 61 12.532 22.274 -17.798 1.00 0.00 N ATOM 738 CA CYS A 61 12.397 22.576 -16.367 1.00 0.00 C ATOM 739 C CYS A 61 13.646 23.229 -15.776 1.00 0.00 C ATOM 740 O CYS A 61 14.652 23.424 -16.463 1.00 0.00 O ATOM 741 CB CYS A 61 12.036 21.327 -15.575 1.00 0.00 C ATOM 742 SG CYS A 61 10.288 20.932 -15.608 1.00 0.00 S ATOM 0 H CYS A 61 12.602 21.279 -18.013 1.00 0.00 H new ATOM 0 HA CYS A 61 11.585 23.299 -16.286 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.598 20.481 -15.971 1.00 0.00 H new ATOM 0 HB3 CYS A 61 12.350 21.461 -14.540 1.00 0.00 H new ATOM 747 N LYS A 62 13.572 23.542 -14.484 1.00 0.00 N ATOM 748 CA LYS A 62 14.646 24.237 -13.791 1.00 0.00 C ATOM 749 C LYS A 62 15.530 23.267 -12.973 1.00 0.00 C ATOM 750 O LYS A 62 16.454 22.658 -13.511 1.00 0.00 O ATOM 751 CB LYS A 62 14.065 25.340 -12.882 1.00 0.00 C ATOM 752 CG LYS A 62 13.184 26.366 -13.617 1.00 0.00 C ATOM 753 CD LYS A 62 13.704 27.803 -13.454 1.00 0.00 C ATOM 754 CE LYS A 62 15.124 27.939 -13.957 1.00 0.00 C ATOM 755 NZ LYS A 62 15.641 29.315 -13.789 1.00 0.00 N ATOM 0 H LYS A 62 12.770 23.321 -13.894 1.00 0.00 H new ATOM 0 HA LYS A 62 15.285 24.696 -14.546 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.476 24.872 -12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.887 25.866 -12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.144 26.114 -14.677 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.164 26.305 -13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.056 28.489 -13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.660 28.090 -12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.767 27.242 -13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.164 27.663 -15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.617 29.365 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.043 29.978 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.628 29.570 -12.781 1.00 0.00 H new ATOM 769 N GLU A 63 15.223 23.115 -11.685 1.00 0.00 N ATOM 770 CA GLU A 63 16.014 22.251 -10.794 1.00 0.00 C ATOM 771 C GLU A 63 15.102 21.487 -9.828 1.00 0.00 C ATOM 772 O GLU A 63 15.206 20.269 -9.679 1.00 0.00 O ATOM 773 CB GLU A 63 17.023 23.115 -9.993 1.00 0.00 C ATOM 774 CG GLU A 63 17.906 22.339 -9.003 1.00 0.00 C ATOM 775 CD GLU A 63 19.297 22.032 -9.543 1.00 0.00 C ATOM 776 OE1 GLU A 63 20.262 22.704 -9.132 1.00 0.00 O ATOM 777 OE2 GLU A 63 19.425 21.113 -10.384 1.00 0.00 O ATOM 0 H GLU A 63 14.434 23.576 -11.231 1.00 0.00 H new ATOM 0 HA GLU A 63 16.555 21.526 -11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.669 23.639 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.469 23.876 -9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.001 22.916 -8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.411 21.403 -8.743 1.00 0.00 H new ATOM 784 N ASP A 64 14.181 22.211 -9.228 1.00 0.00 N ATOM 785 CA ASP A 64 13.288 21.688 -8.197 1.00 0.00 C ATOM 786 C ASP A 64 12.089 20.928 -8.781 1.00 0.00 C ATOM 787 O ASP A 64 10.956 21.097 -8.322 1.00 0.00 O ATOM 788 CB ASP A 64 12.784 22.855 -7.337 1.00 0.00 C ATOM 789 CG ASP A 64 13.795 23.334 -6.312 1.00 0.00 C ATOM 790 OD1 ASP A 64 13.800 22.807 -5.182 1.00 0.00 O ATOM 791 OD2 ASP A 64 14.581 24.248 -6.630 1.00 0.00 O ATOM 0 H ASP A 64 14.023 23.196 -9.441 1.00 0.00 H new ATOM 0 HA ASP A 64 13.856 20.977 -7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.517 23.687 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.873 22.549 -6.822 1.00 0.00 H new ATOM 796 N CYS A 65 12.323 20.083 -9.776 1.00 0.00 N ATOM 797 CA CYS A 65 11.225 19.322 -10.368 1.00 0.00 C ATOM 798 C CYS A 65 11.083 17.969 -9.699 1.00 0.00 C ATOM 799 O CYS A 65 12.061 17.230 -9.560 1.00 0.00 O ATOM 800 CB CYS A 65 11.403 19.158 -11.874 1.00 0.00 C ATOM 801 SG CYS A 65 10.155 18.084 -12.658 1.00 0.00 S ATOM 0 H CYS A 65 13.241 19.907 -10.185 1.00 0.00 H new ATOM 0 HA CYS A 65 10.309 19.889 -10.201 1.00 0.00 H new ATOM 0 HB2 CYS A 65 11.367 20.141 -12.343 1.00 0.00 H new ATOM 0 HB3 CYS A 65 12.394 18.748 -12.070 1.00 0.00 H new ATOM 806 N ARG A 66 9.857 17.643 -9.307 1.00 0.00 N ATOM 807 CA ARG A 66 9.571 16.404 -8.593 1.00 0.00 C ATOM 808 C ARG A 66 9.047 15.336 -9.551 1.00 0.00 C ATOM 809 O ARG A 66 8.626 14.261 -9.126 1.00 0.00 O ATOM 810 CB ARG A 66 8.525 16.640 -7.476 1.00 0.00 C ATOM 811 CG ARG A 66 8.918 17.666 -6.401 1.00 0.00 C ATOM 812 CD ARG A 66 8.790 19.111 -6.901 1.00 0.00 C ATOM 813 NE ARG A 66 7.476 19.389 -7.478 1.00 0.00 N ATOM 814 CZ ARG A 66 7.263 20.286 -8.445 1.00 0.00 C ATOM 815 NH1 ARG A 66 8.269 21.033 -8.895 1.00 0.00 N ATOM 816 NH2 ARG A 66 6.044 20.445 -8.952 1.00 0.00 N ATOM 0 H ARG A 66 9.037 18.226 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 66 10.503 16.061 -8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.593 16.965 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.322 15.688 -6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.286 17.530 -5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.945 17.483 -6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.972 19.796 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.560 19.303 -7.649 1.00 0.00 H new ATOM 0 HE ARG A 66 6.675 18.868 -7.122 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.203 20.921 -8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.105 21.718 -9.633 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.269 19.881 -8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.884 21.131 -9.690 1.00 0.00 H new ATOM 830 N CYS A 67 9.062 15.641 -10.835 1.00 0.00 N ATOM 831 CA CYS A 67 8.566 14.718 -11.838 1.00 0.00 C ATOM 832 C CYS A 67 9.664 13.802 -12.322 1.00 0.00 C ATOM 833 O CYS A 67 10.752 14.251 -12.679 1.00 0.00 O ATOM 834 CB CYS A 67 7.977 15.476 -13.023 1.00 0.00 C ATOM 835 SG CYS A 67 7.084 14.430 -14.191 1.00 0.00 S ATOM 0 H CYS A 67 9.413 16.523 -11.208 1.00 0.00 H new ATOM 0 HA CYS A 67 7.785 14.116 -11.374 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.301 16.245 -12.650 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.782 15.987 -13.551 1.00 0.00 H new ATOM 840 N GLN A 68 9.362 12.517 -12.343 1.00 0.00 N ATOM 841 CA GLN A 68 10.295 11.510 -12.800 1.00 0.00 C ATOM 842 C GLN A 68 10.015 11.120 -14.243 1.00 0.00 C ATOM 843 O GLN A 68 10.630 10.198 -14.775 1.00 0.00 O ATOM 844 CB GLN A 68 10.258 10.264 -11.911 1.00 0.00 C ATOM 845 CG GLN A 68 8.890 9.605 -11.779 1.00 0.00 C ATOM 846 CD GLN A 68 7.954 10.401 -10.934 1.00 0.00 C ATOM 847 OE1 GLN A 68 7.123 11.165 -11.440 1.00 0.00 O ATOM 848 NE2 GLN A 68 8.138 10.309 -9.648 1.00 0.00 N ATOM 0 H GLN A 68 8.461 12.144 -12.043 1.00 0.00 H new ATOM 0 HA GLN A 68 11.292 11.947 -12.739 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.960 9.531 -12.309 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.611 10.536 -10.916 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.457 9.472 -12.770 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.009 8.611 -11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.836 9.664 -9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.584 10.882 -9.011 1.00 0.00 H new ATOM 857 N SER A 69 9.093 11.825 -14.878 1.00 0.00 N ATOM 858 CA SER A 69 8.728 11.516 -16.240 1.00 0.00 C ATOM 859 C SER A 69 9.655 12.235 -17.206 1.00 0.00 C ATOM 860 O SER A 69 9.970 11.719 -18.277 1.00 0.00 O ATOM 861 CB SER A 69 7.264 11.894 -16.506 1.00 0.00 C ATOM 862 OG SER A 69 6.829 11.423 -17.774 1.00 0.00 O ATOM 0 H SER A 69 8.588 12.611 -14.469 1.00 0.00 H new ATOM 0 HA SER A 69 8.832 10.442 -16.395 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.631 11.475 -15.724 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.152 12.977 -16.461 1.00 0.00 H new ATOM 0 HG SER A 69 5.893 11.678 -17.914 1.00 0.00 H new ATOM 868 N CYS A 70 10.095 13.426 -16.826 1.00 0.00 N ATOM 869 CA CYS A 70 11.000 14.178 -17.663 1.00 0.00 C ATOM 870 C CYS A 70 12.414 14.204 -17.078 1.00 0.00 C ATOM 871 O CYS A 70 13.383 14.487 -17.787 1.00 0.00 O ATOM 872 CB CYS A 70 10.463 15.592 -17.914 1.00 0.00 C ATOM 873 SG CYS A 70 10.184 16.588 -16.427 1.00 0.00 S ATOM 0 H CYS A 70 9.839 13.883 -15.951 1.00 0.00 H new ATOM 0 HA CYS A 70 11.064 13.673 -18.627 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.165 16.120 -18.559 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.524 15.514 -18.461 1.00 0.00 H new ATOM 878 N SER A 71 12.530 13.898 -15.783 1.00 0.00 N ATOM 879 CA SER A 71 13.839 13.843 -15.124 1.00 0.00 C ATOM 880 C SER A 71 14.679 12.703 -15.677 1.00 0.00 C ATOM 881 O SER A 71 14.153 11.777 -16.306 1.00 0.00 O ATOM 882 CB SER A 71 13.671 13.660 -13.618 1.00 0.00 C ATOM 883 OG SER A 71 12.994 12.458 -13.331 1.00 0.00 O ATOM 0 H SER A 71 11.740 13.686 -15.173 1.00 0.00 H new ATOM 0 HA SER A 71 14.349 14.786 -15.321 1.00 0.00 H new ATOM 0 HB2 SER A 71 14.649 13.655 -13.137 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.116 14.502 -13.205 1.00 0.00 H new ATOM 0 HG SER A 71 13.184 12.188 -12.408 1.00 0.00 H new ATOM 889 N THR A 72 15.976 12.761 -15.446 1.00 0.00 N ATOM 890 CA THR A 72 16.853 11.700 -15.905 1.00 0.00 C ATOM 891 C THR A 72 16.884 10.563 -14.891 1.00 0.00 C ATOM 892 O THR A 72 16.541 10.754 -13.717 1.00 0.00 O ATOM 893 CB THR A 72 18.295 12.207 -16.189 1.00 0.00 C ATOM 894 OG1 THR A 72 18.994 11.251 -16.996 1.00 0.00 O ATOM 895 CG2 THR A 72 19.071 12.423 -14.895 1.00 0.00 C ATOM 0 H THR A 72 16.442 13.521 -14.950 1.00 0.00 H new ATOM 0 HA THR A 72 16.448 11.333 -16.848 1.00 0.00 H new ATOM 0 HB THR A 72 18.217 13.160 -16.713 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.902 11.575 -17.174 1.00 0.00 H new ATOM 0 HG21 THR A 72 20.075 12.777 -15.128 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.558 13.164 -14.282 1.00 0.00 H new ATOM 0 HG23 THR A 72 19.136 11.482 -14.348 1.00 0.00 H new ATOM 903 N ALA A 73 17.277 9.389 -15.354 1.00 0.00 N ATOM 904 CA ALA A 73 17.347 8.216 -14.513 1.00 0.00 C ATOM 905 C ALA A 73 18.361 8.394 -13.405 1.00 0.00 C ATOM 906 O ALA A 73 19.541 8.648 -13.653 1.00 0.00 O ATOM 907 CB ALA A 73 17.677 6.989 -15.342 1.00 0.00 C ATOM 0 H ALA A 73 17.555 9.227 -16.322 1.00 0.00 H new ATOM 0 HA ALA A 73 16.369 8.075 -14.052 1.00 0.00 H new ATOM 0 HB1 ALA A 73 17.726 6.114 -14.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 16.903 6.840 -16.095 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.639 7.130 -15.834 1.00 0.00 H new ATOM 913 N CYS A 74 17.882 8.289 -12.192 1.00 0.00 N ATOM 914 CA CYS A 74 18.710 8.383 -11.000 1.00 0.00 C ATOM 915 C CYS A 74 19.778 7.304 -10.962 1.00 0.00 C ATOM 916 O CYS A 74 19.784 6.376 -11.779 1.00 0.00 O ATOM 917 CB CYS A 74 17.838 8.241 -9.765 1.00 0.00 C ATOM 918 SG CYS A 74 16.690 9.576 -9.531 1.00 0.00 S ATOM 0 H CYS A 74 16.894 8.134 -11.994 1.00 0.00 H new ATOM 0 HA CYS A 74 19.203 9.355 -11.021 1.00 0.00 H new ATOM 0 HB2 CYS A 74 17.282 7.306 -9.831 1.00 0.00 H new ATOM 0 HB3 CYS A 74 18.479 8.169 -8.887 1.00 0.00 H new ATOM 923 N LYS A 75 20.674 7.421 -9.998 1.00 0.00 N ATOM 924 CA LYS A 75 21.689 6.414 -9.788 1.00 0.00 C ATOM 925 C LYS A 75 21.122 5.297 -8.939 1.00 0.00 C ATOM 926 O LYS A 75 21.827 4.372 -8.546 1.00 0.00 O ATOM 927 CB LYS A 75 22.938 7.010 -9.129 1.00 0.00 C ATOM 928 CG LYS A 75 23.690 7.993 -10.010 1.00 0.00 C ATOM 929 CD LYS A 75 24.056 7.366 -11.348 1.00 0.00 C ATOM 930 CE LYS A 75 24.834 8.340 -12.223 1.00 0.00 C ATOM 931 NZ LYS A 75 26.205 8.576 -11.708 1.00 0.00 N ATOM 0 H LYS A 75 20.716 8.207 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 75 21.989 6.016 -10.757 1.00 0.00 H new ATOM 0 HB2 LYS A 75 22.645 7.513 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 75 23.611 6.199 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 75 23.077 8.879 -10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 75 24.595 8.323 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 75 24.652 6.469 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.149 7.054 -11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.891 7.949 -13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.298 9.288 -12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 26.734 9.163 -12.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 26.152 9.066 -10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 26.692 7.665 -11.586 1.00 0.00 H new ATOM 945 N CYS A 76 19.835 5.393 -8.655 1.00 0.00 N ATOM 946 CA CYS A 76 19.170 4.384 -7.903 1.00 0.00 C ATOM 947 C CYS A 76 18.719 3.286 -8.853 1.00 0.00 C ATOM 948 O CYS A 76 17.795 3.479 -9.632 1.00 0.00 O ATOM 949 CB CYS A 76 17.947 4.951 -7.176 1.00 0.00 C ATOM 950 SG CYS A 76 18.156 6.606 -6.452 1.00 0.00 S ATOM 0 H CYS A 76 19.241 6.170 -8.943 1.00 0.00 H new ATOM 0 HA CYS A 76 19.861 3.991 -7.157 1.00 0.00 H new ATOM 0 HB2 CYS A 76 17.114 4.984 -7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 76 17.667 4.260 -6.381 1.00 0.00 H new ATOM 955 N ALA A 77 19.377 2.153 -8.793 1.00 0.00 N ATOM 956 CA ALA A 77 19.055 1.028 -9.669 1.00 0.00 C ATOM 957 C ALA A 77 19.749 -0.234 -9.198 1.00 0.00 C ATOM 958 O ALA A 77 20.895 -0.181 -8.766 1.00 0.00 O ATOM 959 CB ALA A 77 19.466 1.340 -11.106 1.00 0.00 C ATOM 0 H ALA A 77 20.145 1.975 -8.146 1.00 0.00 H new ATOM 0 HA ALA A 77 17.977 0.867 -9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.220 0.493 -11.747 1.00 0.00 H new ATOM 0 HB2 ALA A 77 18.932 2.225 -11.453 1.00 0.00 H new ATOM 0 HB3 ALA A 77 20.539 1.525 -11.145 1.00 0.00 H new ATOM 965 N ALA A 78 19.031 -1.361 -9.256 1.00 0.00 N ATOM 966 CA ALA A 78 19.574 -2.682 -8.877 1.00 0.00 C ATOM 967 C ALA A 78 20.199 -2.678 -7.475 1.00 0.00 C ATOM 968 O ALA A 78 21.116 -3.454 -7.188 1.00 0.00 O ATOM 969 CB ALA A 78 20.591 -3.141 -9.912 1.00 0.00 C ATOM 0 H ALA A 78 18.059 -1.390 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 78 18.740 -3.383 -8.850 1.00 0.00 H new ATOM 0 HB1 ALA A 78 20.987 -4.115 -9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 78 20.109 -3.217 -10.887 1.00 0.00 H new ATOM 0 HB3 ALA A 78 21.406 -2.420 -9.966 1.00 0.00 H new ATOM 975 N GLY A 79 19.684 -1.828 -6.605 1.00 0.00 N ATOM 976 CA GLY A 79 20.220 -1.734 -5.264 1.00 0.00 C ATOM 977 C GLY A 79 21.360 -0.740 -5.174 1.00 0.00 C ATOM 978 O GLY A 79 22.406 -1.029 -4.597 1.00 0.00 O ATOM 0 H GLY A 79 18.904 -1.201 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.427 -1.439 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.569 -2.716 -4.944 1.00 0.00 H new ATOM 982 N SER A 80 21.161 0.429 -5.756 1.00 0.00 N ATOM 983 CA SER A 80 22.176 1.466 -5.739 1.00 0.00 C ATOM 984 C SER A 80 21.604 2.758 -5.142 1.00 0.00 C ATOM 985 O SER A 80 22.170 3.843 -5.306 1.00 0.00 O ATOM 986 CB SER A 80 22.696 1.703 -7.161 1.00 0.00 C ATOM 987 OG SER A 80 23.893 2.460 -7.162 1.00 0.00 O ATOM 0 H SER A 80 20.304 0.684 -6.247 1.00 0.00 H new ATOM 0 HA SER A 80 23.009 1.145 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 80 22.872 0.744 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.936 2.223 -7.744 1.00 0.00 H new ATOM 0 HG SER A 80 23.800 3.220 -6.550 1.00 0.00 H new ATOM 993 N CYS A 81 20.478 2.627 -4.448 1.00 0.00 N ATOM 994 CA CYS A 81 19.834 3.744 -3.797 1.00 0.00 C ATOM 995 C CYS A 81 20.655 4.190 -2.578 1.00 0.00 C ATOM 996 O CYS A 81 21.388 3.385 -1.997 1.00 0.00 O ATOM 997 CB CYS A 81 18.444 3.311 -3.360 1.00 0.00 C ATOM 998 SG CYS A 81 17.618 4.449 -2.271 1.00 0.00 S ATOM 0 H CYS A 81 19.992 1.739 -4.326 1.00 0.00 H new ATOM 0 HA CYS A 81 19.762 4.585 -4.487 1.00 0.00 H new ATOM 0 HB2 CYS A 81 17.828 3.167 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 81 18.519 2.344 -2.863 1.00 0.00 H new ATOM 1003 N LYS A 82 20.555 5.466 -2.203 1.00 0.00 N ATOM 1004 CA LYS A 82 21.281 5.953 -1.029 1.00 0.00 C ATOM 1005 C LYS A 82 20.585 7.129 -0.349 1.00 0.00 C ATOM 1006 O LYS A 82 21.044 7.597 0.693 1.00 0.00 O ATOM 1007 CB LYS A 82 22.704 6.357 -1.385 1.00 0.00 C ATOM 1008 CG LYS A 82 22.804 7.551 -2.311 1.00 0.00 C ATOM 1009 CD LYS A 82 24.032 8.369 -1.983 1.00 0.00 C ATOM 1010 CE LYS A 82 24.344 9.386 -3.073 1.00 0.00 C ATOM 1011 NZ LYS A 82 24.722 8.737 -4.358 1.00 0.00 N ATOM 0 H LYS A 82 19.991 6.168 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 82 21.301 5.118 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 82 23.246 6.580 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 82 23.203 5.508 -1.852 1.00 0.00 H new ATOM 0 HG2 LYS A 82 22.850 7.214 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.911 8.169 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.881 8.887 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 82 24.886 7.705 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.474 10.023 -3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 82 25.157 10.033 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.226 9.421 -4.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 25.341 7.923 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.864 8.412 -4.848 1.00 0.00 H new ATOM 1025 N CYS A 83 19.487 7.603 -0.912 1.00 0.00 N ATOM 1026 CA CYS A 83 18.798 8.758 -0.339 1.00 0.00 C ATOM 1027 C CYS A 83 17.909 8.343 0.831 1.00 0.00 C ATOM 1028 O CYS A 83 17.432 9.183 1.595 1.00 0.00 O ATOM 1029 CB CYS A 83 17.986 9.475 -1.404 1.00 0.00 C ATOM 1030 SG CYS A 83 16.892 8.393 -2.322 1.00 0.00 S ATOM 0 H CYS A 83 19.055 7.217 -1.752 1.00 0.00 H new ATOM 0 HA CYS A 83 19.552 9.447 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 83 17.395 10.259 -0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 83 18.667 9.965 -2.100 1.00 0.00 H new ATOM 1035 N GLY A 84 17.684 7.044 0.962 1.00 0.00 N ATOM 1036 CA GLY A 84 16.904 6.548 2.073 1.00 0.00 C ATOM 1037 C GLY A 84 15.453 6.303 1.722 1.00 0.00 C ATOM 1038 O GLY A 84 14.628 6.096 2.607 1.00 0.00 O ATOM 0 H GLY A 84 18.027 6.328 0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.346 5.619 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.957 7.264 2.893 1.00 0.00 H new ATOM 1042 N LYS A 85 15.132 6.340 0.442 1.00 0.00 N ATOM 1043 CA LYS A 85 13.764 6.079 0.008 1.00 0.00 C ATOM 1044 C LYS A 85 13.596 4.612 -0.309 1.00 0.00 C ATOM 1045 O LYS A 85 12.494 4.072 -0.233 1.00 0.00 O ATOM 1046 CB LYS A 85 13.408 6.914 -1.224 1.00 0.00 C ATOM 1047 CG LYS A 85 13.692 8.391 -1.061 1.00 0.00 C ATOM 1048 CD LYS A 85 12.839 9.029 0.025 1.00 0.00 C ATOM 1049 CE LYS A 85 13.484 10.316 0.492 1.00 0.00 C ATOM 1050 NZ LYS A 85 13.814 11.225 -0.645 1.00 0.00 N ATOM 0 H LYS A 85 15.789 6.545 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 85 13.092 6.358 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.967 6.538 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.350 6.779 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.746 8.531 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.510 8.900 -2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.838 9.231 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.728 8.342 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.813 10.828 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.394 10.085 1.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.841 11.218 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.325 10.900 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.507 12.192 -0.417 1.00 0.00 H new ATOM 1064 N GLY A 86 14.706 3.970 -0.654 1.00 0.00 N ATOM 1065 CA GLY A 86 14.679 2.563 -1.012 1.00 0.00 C ATOM 1066 C GLY A 86 13.793 2.321 -2.210 1.00 0.00 C ATOM 1067 O GLY A 86 12.956 1.423 -2.206 1.00 0.00 O ATOM 0 H GLY A 86 15.630 4.401 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.691 2.221 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.320 1.977 -0.166 1.00 0.00 H new ATOM 1071 N CYS A 87 13.987 3.121 -3.238 1.00 0.00 N ATOM 1072 CA CYS A 87 13.148 3.063 -4.424 1.00 0.00 C ATOM 1073 C CYS A 87 13.817 2.257 -5.522 1.00 0.00 C ATOM 1074 O CYS A 87 13.167 1.478 -6.221 1.00 0.00 O ATOM 1075 CB CYS A 87 12.841 4.482 -4.899 1.00 0.00 C ATOM 1076 SG CYS A 87 14.271 5.578 -4.841 1.00 0.00 S ATOM 0 H CYS A 87 14.724 3.825 -3.279 1.00 0.00 H new ATOM 0 HA CYS A 87 12.213 2.562 -4.174 1.00 0.00 H new ATOM 0 HB2 CYS A 87 12.464 4.442 -5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 87 12.046 4.900 -4.282 1.00 0.00 H new ATOM 1081 N THR A 88 15.129 2.446 -5.653 1.00 0.00 N ATOM 1082 CA THR A 88 15.948 1.747 -6.643 1.00 0.00 C ATOM 1083 C THR A 88 15.346 1.805 -8.046 1.00 0.00 C ATOM 1084 O THR A 88 15.008 0.779 -8.636 1.00 0.00 O ATOM 1085 CB THR A 88 16.240 0.274 -6.239 1.00 0.00 C ATOM 1086 OG1 THR A 88 15.019 -0.429 -5.966 1.00 0.00 O ATOM 1087 CG2 THR A 88 17.132 0.224 -5.013 1.00 0.00 C ATOM 0 H THR A 88 15.658 3.094 -5.070 1.00 0.00 H new ATOM 0 HA THR A 88 16.898 2.282 -6.666 1.00 0.00 H new ATOM 0 HB THR A 88 16.750 -0.206 -7.074 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.269 0.042 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 88 17.325 -0.815 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 88 18.076 0.725 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 88 16.637 0.726 -4.182 1.00 0.00 H new ATOM 1095 N GLY A 89 15.191 3.004 -8.556 1.00 0.00 N ATOM 1096 CA GLY A 89 14.677 3.168 -9.895 1.00 0.00 C ATOM 1097 C GLY A 89 13.844 4.415 -10.035 1.00 0.00 C ATOM 1098 O GLY A 89 13.113 4.771 -9.115 1.00 0.00 O ATOM 0 H GLY A 89 15.411 3.873 -8.069 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.508 3.207 -10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.075 2.299 -10.160 1.00 0.00 H new ATOM 1102 N PRO A 90 13.912 5.087 -11.197 1.00 0.00 N ATOM 1103 CA PRO A 90 13.206 6.353 -11.428 1.00 0.00 C ATOM 1104 C PRO A 90 11.683 6.194 -11.405 1.00 0.00 C ATOM 1105 O PRO A 90 10.961 7.134 -11.096 1.00 0.00 O ATOM 1106 CB PRO A 90 13.678 6.782 -12.825 1.00 0.00 C ATOM 1107 CG PRO A 90 14.123 5.521 -13.482 1.00 0.00 C ATOM 1108 CD PRO A 90 14.673 4.656 -12.387 1.00 0.00 C ATOM 0 HA PRO A 90 13.424 7.081 -10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.873 7.257 -13.386 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.492 7.504 -12.763 1.00 0.00 H new ATOM 0 HG2 PRO A 90 13.291 5.030 -13.987 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.881 5.722 -14.239 1.00 0.00 H new ATOM 0 HD2 PRO A 90 14.524 3.597 -12.598 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.744 4.807 -12.255 1.00 0.00 H new ATOM 1116 N ASP A 91 11.207 4.995 -11.729 1.00 0.00 N ATOM 1117 CA ASP A 91 9.769 4.718 -11.750 1.00 0.00 C ATOM 1118 C ASP A 91 9.197 4.771 -10.347 1.00 0.00 C ATOM 1119 O ASP A 91 8.086 5.259 -10.132 1.00 0.00 O ATOM 1120 CB ASP A 91 9.482 3.337 -12.351 1.00 0.00 C ATOM 1121 CG ASP A 91 10.060 3.153 -13.735 1.00 0.00 C ATOM 1122 OD1 ASP A 91 9.301 3.241 -14.719 1.00 0.00 O ATOM 1123 OD2 ASP A 91 11.276 2.903 -13.841 1.00 0.00 O ATOM 0 H ASP A 91 11.793 4.199 -11.981 1.00 0.00 H new ATOM 0 HA ASP A 91 9.298 5.482 -12.368 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.888 2.570 -11.691 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.404 3.184 -12.392 1.00 0.00 H new ATOM 1128 N SER A 92 9.964 4.280 -9.391 1.00 0.00 N ATOM 1129 CA SER A 92 9.522 4.223 -8.018 1.00 0.00 C ATOM 1130 C SER A 92 9.980 5.450 -7.257 1.00 0.00 C ATOM 1131 O SER A 92 9.341 5.861 -6.283 1.00 0.00 O ATOM 1132 CB SER A 92 10.052 2.957 -7.359 1.00 0.00 C ATOM 1133 OG SER A 92 9.695 1.814 -8.121 1.00 0.00 O ATOM 0 H SER A 92 10.903 3.913 -9.547 1.00 0.00 H new ATOM 0 HA SER A 92 8.432 4.203 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.136 3.015 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.649 2.869 -6.350 1.00 0.00 H new ATOM 0 HG SER A 92 10.044 1.008 -7.686 1.00 0.00 H new ATOM 1139 N CYS A 93 11.075 6.037 -7.709 1.00 0.00 N ATOM 1140 CA CYS A 93 11.620 7.205 -7.074 1.00 0.00 C ATOM 1141 C CYS A 93 10.664 8.374 -7.235 1.00 0.00 C ATOM 1142 O CYS A 93 10.163 8.649 -8.331 1.00 0.00 O ATOM 1143 CB CYS A 93 13.002 7.548 -7.644 1.00 0.00 C ATOM 1144 SG CYS A 93 13.993 8.628 -6.586 1.00 0.00 S ATOM 0 H CYS A 93 11.601 5.714 -8.521 1.00 0.00 H new ATOM 0 HA CYS A 93 11.745 6.996 -6.011 1.00 0.00 H new ATOM 0 HB2 CYS A 93 13.552 6.623 -7.816 1.00 0.00 H new ATOM 0 HB3 CYS A 93 12.874 8.027 -8.615 1.00 0.00 H new ATOM 1149 N LYS A 94 10.396 9.034 -6.144 1.00 0.00 N ATOM 1150 CA LYS A 94 9.466 10.146 -6.119 1.00 0.00 C ATOM 1151 C LYS A 94 10.136 11.379 -5.540 1.00 0.00 C ATOM 1152 O LYS A 94 9.531 12.144 -4.776 1.00 0.00 O ATOM 1153 CB LYS A 94 8.226 9.757 -5.311 1.00 0.00 C ATOM 1154 CG LYS A 94 8.540 8.971 -4.044 1.00 0.00 C ATOM 1155 CD LYS A 94 7.272 8.597 -3.295 1.00 0.00 C ATOM 1156 CE LYS A 94 7.583 7.875 -1.995 1.00 0.00 C ATOM 1157 NZ LYS A 94 6.359 7.632 -1.195 1.00 0.00 N ATOM 0 H LYS A 94 10.814 8.821 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 94 9.155 10.384 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.681 10.662 -5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.564 9.163 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.092 8.067 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.185 9.564 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.695 9.497 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.650 7.961 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.069 6.924 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.288 8.466 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.561 6.929 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.051 8.521 -0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.604 7.275 -1.815 1.00 0.00 H new ATOM 1171 N CYS A 95 11.370 11.573 -5.929 1.00 0.00 N ATOM 1172 CA CYS A 95 12.173 12.678 -5.445 1.00 0.00 C ATOM 1173 C CYS A 95 12.331 13.748 -6.524 1.00 0.00 C ATOM 1174 O CYS A 95 11.810 13.611 -7.637 1.00 0.00 O ATOM 1175 CB CYS A 95 13.548 12.163 -5.013 1.00 0.00 C ATOM 1176 SG CYS A 95 13.485 10.805 -3.816 1.00 0.00 S ATOM 0 H CYS A 95 11.853 10.969 -6.594 1.00 0.00 H new ATOM 0 HA CYS A 95 11.668 13.128 -4.590 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.093 11.830 -5.896 1.00 0.00 H new ATOM 0 HB3 CYS A 95 14.114 12.988 -4.581 1.00 0.00 H new ATOM 1181 N ASP A 96 13.027 14.815 -6.180 1.00 0.00 N ATOM 1182 CA ASP A 96 13.302 15.891 -7.110 1.00 0.00 C ATOM 1183 C ASP A 96 14.707 15.723 -7.698 1.00 0.00 C ATOM 1184 O ASP A 96 15.312 14.660 -7.585 1.00 0.00 O ATOM 1185 CB ASP A 96 13.182 17.243 -6.402 1.00 0.00 C ATOM 1186 CG ASP A 96 14.294 17.474 -5.409 1.00 0.00 C ATOM 1187 OD1 ASP A 96 14.457 16.648 -4.495 1.00 0.00 O ATOM 1188 OD2 ASP A 96 15.016 18.474 -5.560 1.00 0.00 O ATOM 0 H ASP A 96 13.417 14.959 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 96 12.573 15.856 -7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.191 18.041 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.223 17.297 -5.888 1.00 0.00 H new ATOM 1193 N ARG A 97 15.233 16.772 -8.317 1.00 0.00 N ATOM 1194 CA ARG A 97 16.546 16.687 -8.946 1.00 0.00 C ATOM 1195 C ARG A 97 17.652 17.207 -8.034 1.00 0.00 C ATOM 1196 O ARG A 97 18.820 17.217 -8.414 1.00 0.00 O ATOM 1197 CB ARG A 97 16.578 17.461 -10.258 1.00 0.00 C ATOM 1198 CG ARG A 97 15.475 17.099 -11.227 1.00 0.00 C ATOM 1199 CD ARG A 97 15.789 17.661 -12.615 1.00 0.00 C ATOM 1200 NE ARG A 97 14.931 17.191 -13.741 1.00 0.00 N ATOM 1201 CZ ARG A 97 13.600 16.972 -13.728 1.00 0.00 C ATOM 1202 NH1 ARG A 97 12.939 16.765 -12.597 1.00 0.00 N ATOM 1203 NH2 ARG A 97 12.952 16.869 -14.880 1.00 0.00 N ATOM 0 H ARG A 97 14.778 17.681 -8.397 1.00 0.00 H new ATOM 0 HA ARG A 97 16.725 15.630 -9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.516 18.527 -10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.540 17.291 -10.742 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.368 16.016 -11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.524 17.496 -10.872 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.719 18.748 -12.565 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.825 17.419 -12.853 1.00 0.00 H new ATOM 0 HE ARG A 97 15.407 17.014 -14.626 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.437 16.769 -11.707 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.932 16.602 -12.617 1.00 0.00 H new ATOM 0 HH21 ARG A 97 13.460 16.955 -15.760 1.00 0.00 H new ATOM 0 HH22 ARG A 97 11.946 16.703 -14.886 1.00 0.00 H new ATOM 1217 N SER A 98 17.294 17.638 -6.854 1.00 0.00 N ATOM 1218 CA SER A 98 18.274 18.180 -5.927 1.00 0.00 C ATOM 1219 C SER A 98 18.498 17.234 -4.737 1.00 0.00 C ATOM 1220 O SER A 98 19.198 17.578 -3.778 1.00 0.00 O ATOM 1221 CB SER A 98 17.824 19.571 -5.443 1.00 0.00 C ATOM 1222 OG SER A 98 18.870 20.261 -4.774 1.00 0.00 O ATOM 0 H SER A 98 16.336 17.628 -6.505 1.00 0.00 H new ATOM 0 HA SER A 98 19.225 18.279 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.487 20.161 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.972 19.464 -4.772 1.00 0.00 H new ATOM 0 HG SER A 98 18.576 20.504 -3.871 1.00 0.00 H new ATOM 1228 N CYS A 99 17.927 16.033 -4.804 1.00 0.00 N ATOM 1229 CA CYS A 99 18.085 15.082 -3.717 1.00 0.00 C ATOM 1230 C CYS A 99 19.475 14.451 -3.734 1.00 0.00 C ATOM 1231 O CYS A 99 20.258 14.652 -4.670 1.00 0.00 O ATOM 1232 CB CYS A 99 17.008 13.992 -3.751 1.00 0.00 C ATOM 1233 SG CYS A 99 16.834 13.079 -2.180 1.00 0.00 S ATOM 0 H CYS A 99 17.361 15.704 -5.586 1.00 0.00 H new ATOM 0 HA CYS A 99 17.967 15.640 -2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 99 16.051 14.448 -4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 99 17.244 13.286 -4.547 1.00 0.00 H new ATOM 1238 N SER A 100 19.760 13.668 -2.708 1.00 0.00 N ATOM 1239 CA SER A 100 21.050 13.028 -2.545 1.00 0.00 C ATOM 1240 C SER A 100 21.280 11.931 -3.589 1.00 0.00 C ATOM 1241 O SER A 100 22.418 11.563 -3.868 1.00 0.00 O ATOM 1242 CB SER A 100 21.148 12.444 -1.143 1.00 0.00 C ATOM 1243 OG SER A 100 20.882 13.438 -0.163 1.00 0.00 O ATOM 0 H SER A 100 19.098 13.458 -1.961 1.00 0.00 H new ATOM 0 HA SER A 100 21.824 13.782 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 100 20.440 11.623 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.144 12.029 -0.986 1.00 0.00 H new ATOM 0 HG SER A 100 20.948 13.042 0.731 1.00 0.00 H new ATOM 1249 N CYS A 101 20.205 11.423 -4.163 1.00 0.00 N ATOM 1250 CA CYS A 101 20.296 10.354 -5.149 1.00 0.00 C ATOM 1251 C CYS A 101 20.815 10.874 -6.488 1.00 0.00 C ATOM 1252 O CYS A 101 21.416 10.122 -7.262 1.00 0.00 O ATOM 1253 CB CYS A 101 18.938 9.724 -5.338 1.00 0.00 C ATOM 1254 SG CYS A 101 17.676 10.916 -5.774 1.00 0.00 S ATOM 0 H CYS A 101 19.254 11.733 -3.964 1.00 0.00 H new ATOM 0 HA CYS A 101 21.002 9.610 -4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 101 19.000 8.965 -6.118 1.00 0.00 H new ATOM 0 HB3 CYS A 101 18.648 9.214 -4.419 1.00 0.00 H new ATOM 1259 N LYS A 102 20.571 12.153 -6.769 1.00 0.00 N ATOM 1260 CA LYS A 102 21.054 12.756 -8.011 1.00 0.00 C ATOM 1261 C LYS A 102 22.482 13.273 -7.840 1.00 0.00 C ATOM 1262 O LYS A 102 23.429 12.422 -7.850 1.00 0.00 O ATOM 1263 CB LYS A 102 20.138 13.902 -8.469 1.00 0.00 C ATOM 1264 CG LYS A 102 18.730 13.480 -8.900 1.00 0.00 C ATOM 1265 CD LYS A 102 18.743 12.481 -10.061 1.00 0.00 C ATOM 1266 CE LYS A 102 19.505 13.000 -11.273 1.00 0.00 C ATOM 1267 NZ LYS A 102 18.868 14.202 -11.869 1.00 0.00 N ATOM 0 H LYS A 102 20.049 12.785 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 102 21.045 11.980 -8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 102 20.051 14.623 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 102 20.616 14.417 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.212 13.036 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.164 14.364 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.194 11.547 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.717 12.254 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 102 20.527 13.241 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 102 19.566 12.213 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 19.423 14.518 -12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.901 13.968 -12.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.833 14.963 -11.161 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 16.612 8.935 -7.072 1.00 0.00 CD HETATM 1283 CD CD A 202 16.724 6.277 -3.957 1.00 0.00 CD HETATM 1284 CD CD A 203 16.208 10.798 -3.541 1.00 0.00 CD HETATM 1285 CD CD A 204 7.536 16.583 -15.934 1.00 0.00 CD HETATM 1286 CD CD A 205 8.696 19.854 -13.754 1.00 0.00 CD HETATM 1287 CD CD A 206 10.430 18.962 -17.468 1.00 0.00 CD HETATM 1288 CD CD A 207 8.984 22.912 2.970 1.00 0.00 CD HETATM 1289 CD CD A 208 9.764 26.259 1.048 1.00 0.00 CD HETATM 1290 CD CD A 209 5.994 24.715 0.671 1.00 0.00 CD