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 1 GLY N :NH3+ -149:sc= -0.205 (180deg=-1.71!) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -166:sc=-0.00252 (180deg=0) USER MOD Set 2.1: A 68 GLN : amide:sc= -1.32 K(o=-0.22,f=-12!) USER MOD Set 2.2: A 94 LYS NZ :NH3+ 161:sc= 1.1 (180deg=-0.61) USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= -0.214 USER MOD Set 3.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 177:sc= -0.892 (180deg=-0.917) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -137:sc= 0.323 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0264) USER MOD Single : A 17 GLN : amide:sc= -2.59! X(o=-2.6!,f=-3.1) USER MOD Single : A 18 THR OG1 : rot -18:sc= 0.817 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -37:sc= 0.0286 USER MOD Single : A 28 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.22) USER MOD Single : A 30 THR OG1 : rot 137:sc= 1.32 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0686 K(o=-0.069,f=-4.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0627) USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0822 (180deg=-0.329) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -109:sc= -0.877 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0923) USER MOD Single : A 80 SER OG : rot 101:sc= 1.02 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 16:sc= 0.602 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -44:sc= 0.3 USER MOD Single : A 100 SER OG : rot -130:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.854) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.323 8.718 -1.513 1.00 0.00 N ATOM 2 CA GLY A 1 23.342 8.475 -0.040 1.00 0.00 C ATOM 3 C GLY A 1 21.953 8.304 0.530 1.00 0.00 C ATOM 4 O GLY A 1 21.402 7.205 0.504 1.00 0.00 O ATOM 0 H1 GLY A 1 24.185 8.324 -1.941 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.488 8.259 -1.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.283 9.741 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.932 7.583 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.837 9.309 0.457 1.00 0.00 H new ATOM 7 N SER A 2 21.387 9.391 1.043 1.00 0.00 N ATOM 8 CA SER A 2 20.043 9.380 1.600 1.00 0.00 C ATOM 9 C SER A 2 19.584 10.802 1.912 1.00 0.00 C ATOM 10 O SER A 2 20.409 11.693 2.145 1.00 0.00 O ATOM 11 CB SER A 2 19.979 8.505 2.863 1.00 0.00 C ATOM 12 OG SER A 2 20.948 8.906 3.823 1.00 0.00 O ATOM 0 H SER A 2 21.847 10.301 1.084 1.00 0.00 H new ATOM 0 HA SER A 2 19.371 8.952 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.983 8.569 3.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.142 7.462 2.593 1.00 0.00 H new ATOM 0 HG SER A 2 20.881 8.332 4.615 1.00 0.00 H new ATOM 18 N MET A 3 18.284 11.013 1.902 1.00 0.00 N ATOM 19 CA MET A 3 17.721 12.313 2.197 1.00 0.00 C ATOM 20 C MET A 3 16.654 12.188 3.269 1.00 0.00 C ATOM 21 O MET A 3 15.491 11.880 2.982 1.00 0.00 O ATOM 22 CB MET A 3 17.141 12.960 0.934 1.00 0.00 C ATOM 23 CG MET A 3 16.571 14.355 1.165 1.00 0.00 C ATOM 24 SD MET A 3 15.935 15.115 -0.344 1.00 0.00 S ATOM 25 CE MET A 3 14.631 13.963 -0.786 1.00 0.00 C ATOM 0 H MET A 3 17.593 10.293 1.691 1.00 0.00 H new ATOM 0 HA MET A 3 18.519 12.957 2.567 1.00 0.00 H new ATOM 0 HB2 MET A 3 17.921 13.017 0.175 1.00 0.00 H new ATOM 0 HB3 MET A 3 16.355 12.318 0.536 1.00 0.00 H new ATOM 0 HG2 MET A 3 15.770 14.297 1.902 1.00 0.00 H new ATOM 0 HG3 MET A 3 17.347 14.993 1.588 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.109 14.327 -1.671 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.065 12.986 -0.997 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.926 13.876 0.041 1.00 0.00 H new ATOM 35 N SER A 4 17.056 12.394 4.500 1.00 0.00 N ATOM 36 CA SER A 4 16.153 12.300 5.621 1.00 0.00 C ATOM 37 C SER A 4 15.515 13.658 5.900 1.00 0.00 C ATOM 38 O SER A 4 14.319 13.755 6.182 1.00 0.00 O ATOM 39 CB SER A 4 16.910 11.799 6.851 1.00 0.00 C ATOM 40 OG SER A 4 17.695 10.655 6.528 1.00 0.00 O ATOM 0 H SER A 4 18.016 12.631 4.752 1.00 0.00 H new ATOM 0 HA SER A 4 15.359 11.592 5.384 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.553 12.591 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.203 11.550 7.642 1.00 0.00 H new ATOM 0 HG SER A 4 18.173 10.350 7.327 1.00 0.00 H new ATOM 46 N SER A 5 16.315 14.705 5.802 1.00 0.00 N ATOM 47 CA SER A 5 15.828 16.043 6.031 1.00 0.00 C ATOM 48 C SER A 5 15.447 16.703 4.717 1.00 0.00 C ATOM 49 O SER A 5 16.252 17.391 4.092 1.00 0.00 O ATOM 50 CB SER A 5 16.876 16.881 6.765 1.00 0.00 C ATOM 51 OG SER A 5 17.349 16.203 7.922 1.00 0.00 O ATOM 0 H SER A 5 17.305 14.649 5.565 1.00 0.00 H new ATOM 0 HA SER A 5 14.938 15.980 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.710 17.094 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.445 17.840 7.052 1.00 0.00 H new ATOM 0 HG SER A 5 18.019 16.757 8.374 1.00 0.00 H new ATOM 57 N VAL A 6 14.231 16.451 4.279 1.00 0.00 N ATOM 58 CA VAL A 6 13.733 17.047 3.057 1.00 0.00 C ATOM 59 C VAL A 6 13.084 18.390 3.377 1.00 0.00 C ATOM 60 O VAL A 6 12.768 19.176 2.493 1.00 0.00 O ATOM 61 CB VAL A 6 12.725 16.111 2.341 1.00 0.00 C ATOM 62 CG1 VAL A 6 11.414 16.020 3.102 1.00 0.00 C ATOM 63 CG2 VAL A 6 12.494 16.549 0.900 1.00 0.00 C ATOM 0 H VAL A 6 13.568 15.836 4.752 1.00 0.00 H new ATOM 0 HA VAL A 6 14.572 17.202 2.378 1.00 0.00 H new ATOM 0 HB VAL A 6 13.163 15.113 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.731 15.356 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.600 15.627 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.969 17.012 3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.783 15.874 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.095 17.563 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.438 16.524 0.356 1.00 0.00 H new ATOM 73 N PHE A 7 12.907 18.641 4.660 1.00 0.00 N ATOM 74 CA PHE A 7 12.344 19.882 5.126 1.00 0.00 C ATOM 75 C PHE A 7 13.406 20.665 5.864 1.00 0.00 C ATOM 76 O PHE A 7 14.557 20.235 5.945 1.00 0.00 O ATOM 77 CB PHE A 7 11.139 19.624 6.040 1.00 0.00 C ATOM 78 CG PHE A 7 10.039 18.846 5.374 1.00 0.00 C ATOM 79 CD1 PHE A 7 9.696 17.581 5.825 1.00 0.00 C ATOM 80 CD2 PHE A 7 9.359 19.373 4.289 1.00 0.00 C ATOM 81 CE1 PHE A 7 8.691 16.860 5.208 1.00 0.00 C ATOM 82 CE2 PHE A 7 8.354 18.657 3.668 1.00 0.00 C ATOM 83 CZ PHE A 7 8.020 17.400 4.127 1.00 0.00 C ATOM 0 H PHE A 7 13.151 17.987 5.404 1.00 0.00 H new ATOM 0 HA PHE A 7 11.997 20.459 4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 7 11.473 19.082 6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.742 20.579 6.383 1.00 0.00 H new ATOM 0 HD1 PHE A 7 10.220 17.154 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.618 20.356 3.924 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.430 15.876 5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 7 7.830 19.081 2.824 1.00 0.00 H new ATOM 0 HZ PHE A 7 7.235 16.838 3.642 1.00 0.00 H new ATOM 93 N GLY A 8 13.033 21.800 6.391 1.00 0.00 N ATOM 94 CA GLY A 8 13.972 22.610 7.104 1.00 0.00 C ATOM 95 C GLY A 8 13.688 22.664 8.580 1.00 0.00 C ATOM 96 O GLY A 8 13.489 21.636 9.221 1.00 0.00 O ATOM 0 H GLY A 8 12.088 22.180 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.977 22.219 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.956 23.621 6.698 1.00 0.00 H new ATOM 100 N ALA A 9 13.642 23.866 9.111 1.00 0.00 N ATOM 101 CA ALA A 9 13.421 24.078 10.529 1.00 0.00 C ATOM 102 C ALA A 9 12.344 25.117 10.722 1.00 0.00 C ATOM 103 O ALA A 9 12.258 25.768 11.764 1.00 0.00 O ATOM 104 CB ALA A 9 14.713 24.521 11.197 1.00 0.00 C ATOM 0 H ALA A 9 13.756 24.726 8.574 1.00 0.00 H new ATOM 0 HA ALA A 9 13.098 23.144 10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.537 24.678 12.261 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.474 23.752 11.064 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.056 25.452 10.745 1.00 0.00 H new ATOM 110 N GLY A 10 11.529 25.271 9.707 1.00 0.00 N ATOM 111 CA GLY A 10 10.467 26.235 9.749 1.00 0.00 C ATOM 112 C GLY A 10 9.550 26.115 8.562 1.00 0.00 C ATOM 113 O GLY A 10 9.073 27.123 8.035 1.00 0.00 O ATOM 0 H GLY A 10 11.585 24.737 8.840 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.893 26.102 10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.890 27.239 9.781 1.00 0.00 H new ATOM 117 N CYS A 11 9.319 24.884 8.117 1.00 0.00 N ATOM 118 CA CYS A 11 8.427 24.642 7.006 1.00 0.00 C ATOM 119 C CYS A 11 6.992 24.821 7.445 1.00 0.00 C ATOM 120 O CYS A 11 6.679 24.692 8.633 1.00 0.00 O ATOM 121 CB CYS A 11 8.611 23.233 6.474 1.00 0.00 C ATOM 122 SG CYS A 11 10.289 22.857 5.982 1.00 0.00 S ATOM 0 H CYS A 11 9.740 24.044 8.513 1.00 0.00 H new ATOM 0 HA CYS A 11 8.662 25.357 6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.300 22.523 7.240 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.951 23.089 5.618 1.00 0.00 H new ATOM 127 N THR A 12 6.124 25.111 6.509 1.00 0.00 N ATOM 128 CA THR A 12 4.729 25.261 6.815 1.00 0.00 C ATOM 129 C THR A 12 4.070 23.900 6.911 1.00 0.00 C ATOM 130 O THR A 12 4.659 22.879 6.531 1.00 0.00 O ATOM 131 CB THR A 12 4.007 26.070 5.732 1.00 0.00 C ATOM 132 OG1 THR A 12 4.063 25.364 4.489 1.00 0.00 O ATOM 133 CG2 THR A 12 4.641 27.422 5.568 1.00 0.00 C ATOM 0 H THR A 12 6.362 25.248 5.527 1.00 0.00 H new ATOM 0 HA THR A 12 4.656 25.788 7.766 1.00 0.00 H new ATOM 0 HB THR A 12 2.969 26.205 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.271 25.991 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.113 27.980 4.794 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.585 27.967 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.685 27.302 5.280 1.00 0.00 H new ATOM 141 N ASP A 13 2.852 23.881 7.401 1.00 0.00 N ATOM 142 CA ASP A 13 2.086 22.653 7.460 1.00 0.00 C ATOM 143 C ASP A 13 1.563 22.362 6.068 1.00 0.00 C ATOM 144 O ASP A 13 1.144 21.247 5.749 1.00 0.00 O ATOM 145 CB ASP A 13 0.930 22.791 8.449 1.00 0.00 C ATOM 146 CG ASP A 13 1.388 23.284 9.806 1.00 0.00 C ATOM 147 OD1 ASP A 13 1.241 24.497 10.082 1.00 0.00 O ATOM 148 OD2 ASP A 13 1.909 22.464 10.603 1.00 0.00 O ATOM 0 H ASP A 13 2.368 24.702 7.765 1.00 0.00 H new ATOM 0 HA ASP A 13 2.716 21.833 7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.190 23.482 8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.436 21.826 8.564 1.00 0.00 H new ATOM 153 N VAL A 14 1.628 23.393 5.239 1.00 0.00 N ATOM 154 CA VAL A 14 1.218 23.339 3.856 1.00 0.00 C ATOM 155 C VAL A 14 2.317 22.674 3.018 1.00 0.00 C ATOM 156 O VAL A 14 2.057 22.113 1.953 1.00 0.00 O ATOM 157 CB VAL A 14 0.954 24.772 3.323 1.00 0.00 C ATOM 158 CG1 VAL A 14 0.327 24.740 1.949 1.00 0.00 C ATOM 159 CG2 VAL A 14 0.078 25.553 4.292 1.00 0.00 C ATOM 0 H VAL A 14 1.976 24.309 5.522 1.00 0.00 H new ATOM 0 HA VAL A 14 0.300 22.756 3.781 1.00 0.00 H new ATOM 0 HB VAL A 14 1.916 25.278 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.155 25.759 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.996 24.230 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.623 24.207 1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.095 26.555 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.877 25.041 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.577 25.623 5.258 1.00 0.00 H new ATOM 169 N CYS A 15 3.542 22.732 3.526 1.00 0.00 N ATOM 170 CA CYS A 15 4.687 22.122 2.868 1.00 0.00 C ATOM 171 C CYS A 15 4.631 20.608 3.040 1.00 0.00 C ATOM 172 O CYS A 15 5.144 19.850 2.223 1.00 0.00 O ATOM 173 CB CYS A 15 5.986 22.687 3.465 1.00 0.00 C ATOM 174 SG CYS A 15 7.503 21.970 2.804 1.00 0.00 S ATOM 0 H CYS A 15 3.768 23.202 4.403 1.00 0.00 H new ATOM 0 HA CYS A 15 4.663 22.352 1.803 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.007 23.764 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.969 22.533 4.544 1.00 0.00 H new ATOM 179 N LYS A 16 3.957 20.173 4.101 1.00 0.00 N ATOM 180 CA LYS A 16 3.820 18.753 4.386 1.00 0.00 C ATOM 181 C LYS A 16 2.675 18.155 3.567 1.00 0.00 C ATOM 182 O LYS A 16 2.363 16.962 3.684 1.00 0.00 O ATOM 183 CB LYS A 16 3.585 18.519 5.886 1.00 0.00 C ATOM 184 CG LYS A 16 4.551 19.280 6.789 1.00 0.00 C ATOM 185 CD LYS A 16 6.008 18.871 6.566 1.00 0.00 C ATOM 186 CE LYS A 16 6.943 19.937 7.115 1.00 0.00 C ATOM 187 NZ LYS A 16 6.793 20.111 8.584 1.00 0.00 N ATOM 0 H LYS A 16 3.498 20.785 4.776 1.00 0.00 H new ATOM 0 HA LYS A 16 4.748 18.256 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.565 18.811 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.671 17.453 6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.446 20.350 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.283 19.105 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.205 17.917 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.194 18.727 5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.974 19.667 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.743 20.885 6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.528 20.759 8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.854 20.507 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.892 19.189 9.055 1.00 0.00 H new ATOM 201 N GLN A 17 2.050 18.994 2.734 1.00 0.00 N ATOM 202 CA GLN A 17 0.972 18.545 1.853 1.00 0.00 C ATOM 203 C GLN A 17 1.519 17.616 0.780 1.00 0.00 C ATOM 204 O GLN A 17 2.721 17.358 0.710 1.00 0.00 O ATOM 205 CB GLN A 17 0.252 19.730 1.178 1.00 0.00 C ATOM 206 CG GLN A 17 -0.799 20.425 2.036 1.00 0.00 C ATOM 207 CD GLN A 17 -1.570 21.497 1.264 1.00 0.00 C ATOM 208 OE1 GLN A 17 -1.739 21.408 0.048 1.00 0.00 O ATOM 209 NE2 GLN A 17 -2.052 22.503 1.973 1.00 0.00 N ATOM 0 H GLN A 17 2.273 19.986 2.653 1.00 0.00 H new ATOM 0 HA GLN A 17 0.250 18.013 2.473 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.999 20.466 0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.225 19.372 0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.500 19.683 2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.315 20.881 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.891 22.541 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.585 23.241 1.514 1.00 0.00 H new ATOM 218 N THR A 18 0.642 17.127 -0.054 1.00 0.00 N ATOM 219 CA THR A 18 1.017 16.229 -1.131 1.00 0.00 C ATOM 220 C THR A 18 -0.056 16.243 -2.214 1.00 0.00 C ATOM 221 O THR A 18 -1.138 15.676 -2.032 1.00 0.00 O ATOM 222 CB THR A 18 1.238 14.777 -0.628 1.00 0.00 C ATOM 223 OG1 THR A 18 2.252 14.769 0.392 1.00 0.00 O ATOM 224 CG2 THR A 18 1.674 13.868 -1.772 1.00 0.00 C ATOM 0 H THR A 18 -0.356 17.335 -0.012 1.00 0.00 H new ATOM 0 HA THR A 18 1.963 16.584 -1.541 1.00 0.00 H new ATOM 0 HB THR A 18 0.296 14.407 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.768 15.601 0.347 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.823 12.856 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.904 13.859 -2.543 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.607 14.239 -2.196 1.00 0.00 H new ATOM 232 N PRO A 19 0.209 16.918 -3.348 1.00 0.00 N ATOM 233 CA PRO A 19 1.479 17.628 -3.598 1.00 0.00 C ATOM 234 C PRO A 19 1.644 18.837 -2.687 1.00 0.00 C ATOM 235 O PRO A 19 0.683 19.269 -2.046 1.00 0.00 O ATOM 236 CB PRO A 19 1.352 18.080 -5.055 1.00 0.00 C ATOM 237 CG PRO A 19 -0.114 18.145 -5.303 1.00 0.00 C ATOM 238 CD PRO A 19 -0.728 17.061 -4.462 1.00 0.00 C ATOM 0 HA PRO A 19 2.346 16.996 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.824 19.050 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.837 17.377 -5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.512 19.122 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.338 17.993 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.724 17.338 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.832 16.131 -5.020 1.00 0.00 H new ATOM 246 N CYS A 20 2.854 19.373 -2.629 1.00 0.00 N ATOM 247 CA CYS A 20 3.143 20.505 -1.771 1.00 0.00 C ATOM 248 C CYS A 20 2.197 21.654 -2.067 1.00 0.00 C ATOM 249 O CYS A 20 2.058 22.085 -3.216 1.00 0.00 O ATOM 250 CB CYS A 20 4.582 20.950 -1.934 1.00 0.00 C ATOM 251 SG CYS A 20 5.053 22.269 -0.813 1.00 0.00 S ATOM 0 H CYS A 20 3.652 19.039 -3.169 1.00 0.00 H new ATOM 0 HA CYS A 20 2.996 20.193 -0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.239 20.095 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.737 21.283 -2.960 1.00 0.00 H new ATOM 256 N GLY A 21 1.559 22.149 -1.034 1.00 0.00 N ATOM 257 CA GLY A 21 0.564 23.163 -1.209 1.00 0.00 C ATOM 258 C GLY A 21 1.131 24.561 -1.303 1.00 0.00 C ATOM 259 O GLY A 21 0.429 25.481 -1.709 1.00 0.00 O ATOM 0 H GLY A 21 1.715 21.863 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.004 22.949 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.137 23.120 -0.375 1.00 0.00 H new ATOM 263 N CYS A 22 2.402 24.735 -0.954 1.00 0.00 N ATOM 264 CA CYS A 22 3.026 26.066 -0.991 1.00 0.00 C ATOM 265 C CYS A 22 3.017 26.652 -2.399 1.00 0.00 C ATOM 266 O CYS A 22 3.060 27.866 -2.574 1.00 0.00 O ATOM 267 CB CYS A 22 4.460 26.019 -0.474 1.00 0.00 C ATOM 268 SG CYS A 22 4.621 25.780 1.304 1.00 0.00 S ATOM 0 H CYS A 22 3.019 23.984 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 22 2.432 26.708 -0.340 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.987 25.212 -0.983 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.959 26.949 -0.747 1.00 0.00 H new ATOM 273 N ALA A 23 2.934 25.787 -3.396 1.00 0.00 N ATOM 274 CA ALA A 23 2.949 26.218 -4.782 1.00 0.00 C ATOM 275 C ALA A 23 1.626 26.860 -5.201 1.00 0.00 C ATOM 276 O ALA A 23 1.569 27.568 -6.206 1.00 0.00 O ATOM 277 CB ALA A 23 3.288 25.049 -5.695 1.00 0.00 C ATOM 0 H ALA A 23 2.855 24.778 -3.269 1.00 0.00 H new ATOM 0 HA ALA A 23 3.721 26.981 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.296 25.387 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.271 24.657 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.541 24.265 -5.575 1.00 0.00 H new ATOM 283 N THR A 24 0.568 26.620 -4.437 1.00 0.00 N ATOM 284 CA THR A 24 -0.735 27.178 -4.773 1.00 0.00 C ATOM 285 C THR A 24 -1.348 27.961 -3.595 1.00 0.00 C ATOM 286 O THR A 24 -2.258 28.765 -3.781 1.00 0.00 O ATOM 287 CB THR A 24 -1.721 26.072 -5.251 1.00 0.00 C ATOM 288 OG1 THR A 24 -2.944 26.661 -5.708 1.00 0.00 O ATOM 289 CG2 THR A 24 -2.023 25.080 -4.131 1.00 0.00 C ATOM 0 H THR A 24 0.585 26.050 -3.591 1.00 0.00 H new ATOM 0 HA THR A 24 -0.572 27.877 -5.594 1.00 0.00 H new ATOM 0 HB THR A 24 -1.245 25.536 -6.072 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.555 25.956 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.714 24.320 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.097 24.604 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.473 25.607 -3.290 1.00 0.00 H new ATOM 297 N SER A 25 -0.848 27.728 -2.395 1.00 0.00 N ATOM 298 CA SER A 25 -1.373 28.403 -1.218 1.00 0.00 C ATOM 299 C SER A 25 -0.414 29.489 -0.732 1.00 0.00 C ATOM 300 O SER A 25 -0.792 30.364 0.054 1.00 0.00 O ATOM 301 CB SER A 25 -1.635 27.380 -0.102 1.00 0.00 C ATOM 302 OG SER A 25 -2.288 27.976 1.006 1.00 0.00 O ATOM 0 H SER A 25 -0.083 27.080 -2.208 1.00 0.00 H new ATOM 0 HA SER A 25 -2.313 28.885 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.246 26.565 -0.490 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.690 26.944 0.223 1.00 0.00 H new ATOM 0 HG SER A 25 -1.946 28.885 1.137 1.00 0.00 H new ATOM 308 N GLY A 26 0.813 29.446 -1.212 1.00 0.00 N ATOM 309 CA GLY A 26 1.799 30.409 -0.790 1.00 0.00 C ATOM 310 C GLY A 26 2.834 29.790 0.115 1.00 0.00 C ATOM 311 O GLY A 26 2.507 28.973 0.976 1.00 0.00 O ATOM 0 H GLY A 26 1.145 28.759 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.289 30.835 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.306 31.230 -0.270 1.00 0.00 H new ATOM 315 N CYS A 27 4.076 30.163 -0.083 1.00 0.00 N ATOM 316 CA CYS A 27 5.164 29.630 0.705 1.00 0.00 C ATOM 317 C CYS A 27 5.466 30.525 1.900 1.00 0.00 C ATOM 318 O CYS A 27 5.334 31.751 1.819 1.00 0.00 O ATOM 319 CB CYS A 27 6.407 29.480 -0.158 1.00 0.00 C ATOM 320 SG CYS A 27 7.855 28.934 0.752 1.00 0.00 S ATOM 0 H CYS A 27 4.361 30.840 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 27 4.864 28.651 1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.200 28.767 -0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.626 30.436 -0.633 1.00 0.00 H new ATOM 325 N ASN A 28 5.864 29.910 3.013 1.00 0.00 N ATOM 326 CA ASN A 28 6.195 30.653 4.232 1.00 0.00 C ATOM 327 C ASN A 28 7.340 29.970 4.977 1.00 0.00 C ATOM 328 O ASN A 28 7.561 30.224 6.163 1.00 0.00 O ATOM 329 CB ASN A 28 4.977 30.752 5.173 1.00 0.00 C ATOM 330 CG ASN A 28 3.743 31.327 4.514 1.00 0.00 C ATOM 331 OD1 ASN A 28 3.530 32.536 4.516 1.00 0.00 O ATOM 332 ND2 ASN A 28 2.913 30.462 3.961 1.00 0.00 N ATOM 0 H ASN A 28 5.966 28.899 3.097 1.00 0.00 H new ATOM 0 HA ASN A 28 6.495 31.657 3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.744 29.759 5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.241 31.370 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.057 30.791 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.127 29.465 3.981 1.00 0.00 H new ATOM 339 N CYS A 29 8.065 29.110 4.280 1.00 0.00 N ATOM 340 CA CYS A 29 9.157 28.362 4.891 1.00 0.00 C ATOM 341 C CYS A 29 10.418 29.203 5.023 1.00 0.00 C ATOM 342 O CYS A 29 10.529 30.285 4.440 1.00 0.00 O ATOM 343 CB CYS A 29 9.456 27.108 4.082 1.00 0.00 C ATOM 344 SG CYS A 29 8.076 25.959 3.995 1.00 0.00 S ATOM 0 H CYS A 29 7.919 28.911 3.290 1.00 0.00 H new ATOM 0 HA CYS A 29 8.836 28.081 5.894 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.740 27.398 3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.314 26.599 4.521 1.00 0.00 H new ATOM 349 N THR A 30 11.364 28.704 5.801 1.00 0.00 N ATOM 350 CA THR A 30 12.622 29.380 6.000 1.00 0.00 C ATOM 351 C THR A 30 13.648 28.891 4.981 1.00 0.00 C ATOM 352 O THR A 30 13.353 28.016 4.163 1.00 0.00 O ATOM 353 CB THR A 30 13.165 29.149 7.431 1.00 0.00 C ATOM 354 OG1 THR A 30 13.359 27.742 7.666 1.00 0.00 O ATOM 355 CG2 THR A 30 12.200 29.704 8.467 1.00 0.00 C ATOM 0 H THR A 30 11.276 27.823 6.307 1.00 0.00 H new ATOM 0 HA THR A 30 12.451 30.448 5.865 1.00 0.00 H new ATOM 0 HB THR A 30 14.119 29.668 7.521 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.214 27.602 8.124 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.600 29.532 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.071 30.775 8.308 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.236 29.204 8.371 1.00 0.00 H new ATOM 363 N ASP A 31 14.849 29.442 5.043 1.00 0.00 N ATOM 364 CA ASP A 31 15.922 29.071 4.120 1.00 0.00 C ATOM 365 C ASP A 31 16.329 27.606 4.305 1.00 0.00 C ATOM 366 O ASP A 31 16.892 26.984 3.403 1.00 0.00 O ATOM 367 CB ASP A 31 17.132 29.983 4.332 1.00 0.00 C ATOM 368 CG ASP A 31 18.224 29.754 3.316 1.00 0.00 C ATOM 369 OD1 ASP A 31 18.161 30.361 2.221 1.00 0.00 O ATOM 370 OD2 ASP A 31 19.157 28.974 3.606 1.00 0.00 O ATOM 0 H ASP A 31 15.112 30.153 5.726 1.00 0.00 H new ATOM 0 HA ASP A 31 15.552 29.193 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.810 31.023 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.533 29.820 5.332 1.00 0.00 H new ATOM 375 N ASP A 32 16.009 27.062 5.474 1.00 0.00 N ATOM 376 CA ASP A 32 16.355 25.679 5.824 1.00 0.00 C ATOM 377 C ASP A 32 15.610 24.678 4.962 1.00 0.00 C ATOM 378 O ASP A 32 16.006 23.516 4.879 1.00 0.00 O ATOM 379 CB ASP A 32 16.007 25.394 7.285 1.00 0.00 C ATOM 380 CG ASP A 32 16.569 26.401 8.239 1.00 0.00 C ATOM 381 OD1 ASP A 32 17.718 26.228 8.684 1.00 0.00 O ATOM 382 OD2 ASP A 32 15.856 27.375 8.554 1.00 0.00 O ATOM 0 H ASP A 32 15.504 27.561 6.207 1.00 0.00 H new ATOM 0 HA ASP A 32 17.427 25.572 5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.923 25.368 7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 32 16.378 24.405 7.553 1.00 0.00 H new ATOM 387 N CYS A 33 14.523 25.125 4.347 1.00 0.00 N ATOM 388 CA CYS A 33 13.680 24.260 3.536 1.00 0.00 C ATOM 389 C CYS A 33 14.471 23.610 2.403 1.00 0.00 C ATOM 390 O CYS A 33 15.021 24.295 1.538 1.00 0.00 O ATOM 391 CB CYS A 33 12.503 25.048 2.972 1.00 0.00 C ATOM 392 SG CYS A 33 11.328 24.050 2.042 1.00 0.00 S ATOM 0 H CYS A 33 14.203 26.092 4.396 1.00 0.00 H new ATOM 0 HA CYS A 33 13.303 23.465 4.179 1.00 0.00 H new ATOM 0 HB2 CYS A 33 11.979 25.535 3.794 1.00 0.00 H new ATOM 0 HB3 CYS A 33 12.885 25.838 2.325 1.00 0.00 H new ATOM 397 N LYS A 34 14.527 22.285 2.425 1.00 0.00 N ATOM 398 CA LYS A 34 15.233 21.525 1.411 1.00 0.00 C ATOM 399 C LYS A 34 14.261 20.931 0.420 1.00 0.00 C ATOM 400 O LYS A 34 14.625 20.054 -0.367 1.00 0.00 O ATOM 401 CB LYS A 34 16.047 20.395 2.050 1.00 0.00 C ATOM 402 CG LYS A 34 17.062 20.860 3.075 1.00 0.00 C ATOM 403 CD LYS A 34 17.931 21.977 2.528 1.00 0.00 C ATOM 404 CE LYS A 34 18.694 21.559 1.289 1.00 0.00 C ATOM 405 NZ LYS A 34 19.514 22.673 0.753 1.00 0.00 N ATOM 0 H LYS A 34 14.085 21.712 3.144 1.00 0.00 H new ATOM 0 HA LYS A 34 15.907 22.208 0.894 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.362 19.694 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.567 19.848 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.545 21.205 3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.691 20.021 3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.306 22.839 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.636 22.295 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.339 20.713 1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.993 21.222 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.023 22.352 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.895 23.471 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.199 22.978 1.474 1.00 0.00 H new ATOM 419 N CYS A 35 13.036 21.408 0.442 1.00 0.00 N ATOM 420 CA CYS A 35 12.030 20.872 -0.416 1.00 0.00 C ATOM 421 C CYS A 35 12.175 21.449 -1.807 1.00 0.00 C ATOM 422 O CYS A 35 12.584 22.591 -1.974 1.00 0.00 O ATOM 423 CB CYS A 35 10.641 21.147 0.148 1.00 0.00 C ATOM 424 SG CYS A 35 9.305 20.454 -0.840 1.00 0.00 S ATOM 0 H CYS A 35 12.723 22.166 1.048 1.00 0.00 H new ATOM 0 HA CYS A 35 12.157 19.791 -0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.582 20.741 1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 35 10.499 22.225 0.229 1.00 0.00 H new ATOM 429 N GLN A 36 11.874 20.651 -2.799 1.00 0.00 N ATOM 430 CA GLN A 36 11.977 21.086 -4.174 1.00 0.00 C ATOM 431 C GLN A 36 10.593 21.256 -4.777 1.00 0.00 C ATOM 432 O GLN A 36 10.451 21.520 -5.964 1.00 0.00 O ATOM 433 CB GLN A 36 12.767 20.062 -4.980 1.00 0.00 C ATOM 434 CG GLN A 36 14.138 19.739 -4.405 1.00 0.00 C ATOM 435 CD GLN A 36 15.149 20.860 -4.578 1.00 0.00 C ATOM 436 OE1 GLN A 36 14.809 22.043 -4.565 1.00 0.00 O ATOM 437 NE2 GLN A 36 16.390 20.482 -4.765 1.00 0.00 N ATOM 0 H GLN A 36 11.553 19.690 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 36 12.494 22.045 -4.202 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.187 19.142 -5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 36 12.890 20.434 -5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.034 19.515 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.521 18.838 -4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.626 19.490 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.120 21.180 -4.908 1.00 0.00 H new ATOM 446 N SER A 37 9.574 21.113 -3.947 1.00 0.00 N ATOM 447 CA SER A 37 8.205 21.195 -4.420 1.00 0.00 C ATOM 448 C SER A 37 7.585 22.571 -4.166 1.00 0.00 C ATOM 449 O SER A 37 6.559 22.906 -4.746 1.00 0.00 O ATOM 450 CB SER A 37 7.362 20.092 -3.788 1.00 0.00 C ATOM 451 OG SER A 37 7.920 18.811 -4.058 1.00 0.00 O ATOM 0 H SER A 37 9.669 20.940 -2.946 1.00 0.00 H new ATOM 0 HA SER A 37 8.222 21.053 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.301 20.247 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.344 20.139 -4.175 1.00 0.00 H new ATOM 0 HG SER A 37 7.365 18.118 -3.642 1.00 0.00 H new ATOM 457 N CYS A 38 8.191 23.364 -3.299 1.00 0.00 N ATOM 458 CA CYS A 38 7.683 24.699 -3.051 1.00 0.00 C ATOM 459 C CYS A 38 8.712 25.732 -3.455 1.00 0.00 C ATOM 460 O CYS A 38 8.398 26.906 -3.645 1.00 0.00 O ATOM 461 CB CYS A 38 7.311 24.874 -1.582 1.00 0.00 C ATOM 462 SG CYS A 38 8.700 24.811 -0.442 1.00 0.00 S ATOM 0 H CYS A 38 9.022 23.111 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 38 6.784 24.840 -3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.803 25.831 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.597 24.097 -1.307 1.00 0.00 H new ATOM 467 N LYS A 39 9.940 25.280 -3.620 1.00 0.00 N ATOM 468 CA LYS A 39 11.034 26.157 -3.966 1.00 0.00 C ATOM 469 C LYS A 39 11.290 26.128 -5.476 1.00 0.00 C ATOM 470 O LYS A 39 12.437 26.154 -5.918 1.00 0.00 O ATOM 471 CB LYS A 39 12.304 25.738 -3.211 1.00 0.00 C ATOM 472 CG LYS A 39 12.112 25.476 -1.704 1.00 0.00 C ATOM 473 CD LYS A 39 11.509 26.664 -0.964 1.00 0.00 C ATOM 474 CE LYS A 39 12.307 27.931 -1.202 1.00 0.00 C ATOM 475 NZ LYS A 39 13.719 27.791 -0.759 1.00 0.00 N ATOM 0 H LYS A 39 10.203 24.300 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 39 10.766 27.174 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.702 24.834 -3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.056 26.517 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.467 24.607 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.076 25.229 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.480 26.814 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.475 26.449 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.283 28.181 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.840 28.759 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.198 28.712 -0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.742 27.462 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.206 27.101 -1.365 1.00 0.00 H new ATOM 489 N TYR A 40 10.210 26.082 -6.260 1.00 0.00 N ATOM 490 CA TYR A 40 10.313 26.057 -7.725 1.00 0.00 C ATOM 491 C TYR A 40 11.070 27.276 -8.252 1.00 0.00 C ATOM 492 O TYR A 40 11.072 28.341 -7.623 1.00 0.00 O ATOM 493 CB TYR A 40 8.926 26.005 -8.378 1.00 0.00 C ATOM 494 CG TYR A 40 8.182 24.700 -8.188 1.00 0.00 C ATOM 495 CD1 TYR A 40 6.820 24.693 -7.914 1.00 0.00 C ATOM 496 CD2 TYR A 40 8.833 23.478 -8.296 1.00 0.00 C ATOM 497 CE1 TYR A 40 6.131 23.508 -7.755 1.00 0.00 C ATOM 498 CE2 TYR A 40 8.151 22.288 -8.135 1.00 0.00 C ATOM 499 CZ TYR A 40 6.801 22.309 -7.866 1.00 0.00 C ATOM 500 OH TYR A 40 6.116 21.125 -7.710 1.00 0.00 O ATOM 0 H TYR A 40 9.253 26.061 -5.907 1.00 0.00 H new ATOM 0 HA TYR A 40 10.866 25.155 -7.987 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.319 26.815 -7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.036 26.192 -9.446 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.292 25.631 -7.824 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.891 23.458 -8.510 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.072 23.520 -7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.674 21.347 -8.220 1.00 0.00 H new ATOM 0 HH TYR A 40 5.187 21.244 -7.999 1.00 0.00 H new ATOM 510 N GLY A 41 11.709 27.112 -9.404 1.00 0.00 N ATOM 511 CA GLY A 41 12.456 28.194 -9.998 1.00 0.00 C ATOM 512 C GLY A 41 13.837 27.749 -10.394 1.00 0.00 C ATOM 513 O GLY A 41 14.179 27.729 -11.575 1.00 0.00 O ATOM 0 H GLY A 41 11.720 26.242 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.926 28.567 -10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.526 29.021 -9.292 1.00 0.00 H new ATOM 517 N ALA A 42 14.616 27.335 -9.410 1.00 0.00 N ATOM 518 CA ALA A 42 15.972 26.876 -9.647 1.00 0.00 C ATOM 519 C ALA A 42 15.975 25.421 -10.076 1.00 0.00 C ATOM 520 O ALA A 42 17.028 24.832 -10.307 1.00 0.00 O ATOM 521 CB ALA A 42 16.822 27.061 -8.400 1.00 0.00 C ATOM 0 H ALA A 42 14.329 27.308 -8.432 1.00 0.00 H new ATOM 0 HA ALA A 42 16.401 27.474 -10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 42 17.836 26.712 -8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 42 16.848 28.117 -8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 42 16.393 26.487 -7.579 1.00 0.00 H new ATOM 527 N GLY A 43 14.790 24.843 -10.173 1.00 0.00 N ATOM 528 CA GLY A 43 14.676 23.475 -10.585 1.00 0.00 C ATOM 529 C GLY A 43 13.677 23.251 -11.709 1.00 0.00 C ATOM 530 O GLY A 43 13.596 22.156 -12.242 1.00 0.00 O ATOM 0 H GLY A 43 13.904 25.306 -9.971 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.655 23.120 -10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.384 22.870 -9.726 1.00 0.00 H new ATOM 534 N CYS A 44 12.970 24.295 -12.118 1.00 0.00 N ATOM 535 CA CYS A 44 11.889 24.132 -13.099 1.00 0.00 C ATOM 536 C CYS A 44 11.974 25.083 -14.271 1.00 0.00 C ATOM 537 O CYS A 44 12.919 25.865 -14.405 1.00 0.00 O ATOM 538 CB CYS A 44 10.533 24.305 -12.433 1.00 0.00 C ATOM 539 SG CYS A 44 9.985 22.878 -11.517 1.00 0.00 S ATOM 0 H CYS A 44 13.116 25.252 -11.796 1.00 0.00 H new ATOM 0 HA CYS A 44 12.007 23.121 -13.490 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.578 25.161 -11.759 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.792 24.539 -13.197 1.00 0.00 H new ATOM 544 N THR A 45 10.948 24.999 -15.106 1.00 0.00 N ATOM 545 CA THR A 45 10.792 25.813 -16.270 1.00 0.00 C ATOM 546 C THR A 45 9.303 26.133 -16.435 1.00 0.00 C ATOM 547 O THR A 45 8.461 25.598 -15.702 1.00 0.00 O ATOM 548 CB THR A 45 11.330 25.090 -17.541 1.00 0.00 C ATOM 549 OG1 THR A 45 11.162 25.919 -18.696 1.00 0.00 O ATOM 550 CG2 THR A 45 10.617 23.761 -17.764 1.00 0.00 C ATOM 0 H THR A 45 10.184 24.336 -14.974 1.00 0.00 H new ATOM 0 HA THR A 45 11.368 26.731 -16.149 1.00 0.00 H new ATOM 0 HB THR A 45 12.391 24.895 -17.384 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.506 25.453 -19.486 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.014 23.280 -18.658 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.777 23.113 -16.902 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.549 23.938 -17.891 1.00 0.00 H new ATOM 558 N ASP A 46 8.981 26.960 -17.401 1.00 0.00 N ATOM 559 CA ASP A 46 7.595 27.388 -17.630 1.00 0.00 C ATOM 560 C ASP A 46 6.797 26.331 -18.397 1.00 0.00 C ATOM 561 O ASP A 46 5.618 26.515 -18.690 1.00 0.00 O ATOM 562 CB ASP A 46 7.554 28.736 -18.371 1.00 0.00 C ATOM 563 CG ASP A 46 8.240 28.699 -19.724 1.00 0.00 C ATOM 564 OD1 ASP A 46 9.489 28.759 -19.766 1.00 0.00 O ATOM 565 OD2 ASP A 46 7.539 28.637 -20.752 1.00 0.00 O ATOM 0 H ASP A 46 9.656 27.360 -18.053 1.00 0.00 H new ATOM 0 HA ASP A 46 7.128 27.513 -16.653 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.515 29.037 -18.506 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.028 29.498 -17.752 1.00 0.00 H new ATOM 570 N THR A 47 7.440 25.225 -18.690 1.00 0.00 N ATOM 571 CA THR A 47 6.817 24.141 -19.421 1.00 0.00 C ATOM 572 C THR A 47 6.354 23.032 -18.460 1.00 0.00 C ATOM 573 O THR A 47 5.496 22.223 -18.794 1.00 0.00 O ATOM 574 CB THR A 47 7.818 23.551 -20.438 1.00 0.00 C ATOM 575 OG1 THR A 47 8.586 24.616 -21.019 1.00 0.00 O ATOM 576 CG2 THR A 47 7.092 22.805 -21.544 1.00 0.00 C ATOM 0 H THR A 47 8.410 25.049 -18.429 1.00 0.00 H new ATOM 0 HA THR A 47 5.948 24.537 -19.947 1.00 0.00 H new ATOM 0 HB THR A 47 8.471 22.853 -19.914 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.224 24.245 -21.664 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.819 22.399 -22.247 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.511 21.990 -21.112 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.424 23.490 -22.067 1.00 0.00 H new ATOM 584 N CYS A 48 6.906 23.032 -17.259 1.00 0.00 N ATOM 585 CA CYS A 48 6.605 21.996 -16.263 1.00 0.00 C ATOM 586 C CYS A 48 5.466 22.423 -15.343 1.00 0.00 C ATOM 587 O CYS A 48 4.733 21.594 -14.807 1.00 0.00 O ATOM 588 CB CYS A 48 7.860 21.695 -15.437 1.00 0.00 C ATOM 589 SG CYS A 48 7.584 20.594 -14.037 1.00 0.00 S ATOM 0 H CYS A 48 7.570 23.738 -16.941 1.00 0.00 H new ATOM 0 HA CYS A 48 6.289 21.097 -16.792 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.612 21.251 -16.090 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.272 22.635 -15.069 1.00 0.00 H new ATOM 594 N LYS A 49 5.306 23.721 -15.201 1.00 0.00 N ATOM 595 CA LYS A 49 4.298 24.302 -14.315 1.00 0.00 C ATOM 596 C LYS A 49 2.886 24.176 -14.887 1.00 0.00 C ATOM 597 O LYS A 49 1.930 24.717 -14.321 1.00 0.00 O ATOM 598 CB LYS A 49 4.606 25.763 -14.127 1.00 0.00 C ATOM 599 CG LYS A 49 4.577 26.522 -15.438 1.00 0.00 C ATOM 600 CD LYS A 49 4.859 27.977 -15.242 1.00 0.00 C ATOM 601 CE LYS A 49 3.773 28.658 -14.421 1.00 0.00 C ATOM 602 NZ LYS A 49 2.429 28.528 -15.044 1.00 0.00 N ATOM 0 H LYS A 49 5.869 24.413 -15.695 1.00 0.00 H new ATOM 0 HA LYS A 49 4.331 23.759 -13.370 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.883 26.200 -13.439 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.589 25.870 -13.668 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.313 26.097 -16.120 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.601 26.401 -15.907 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.821 28.097 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.941 28.465 -16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.751 28.224 -13.421 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.017 29.714 -14.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.766 29.181 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.492 28.760 -16.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.088 27.552 -14.933 1.00 0.00 H new ATOM 616 N GLN A 50 2.760 23.496 -16.007 1.00 0.00 N ATOM 617 CA GLN A 50 1.476 23.346 -16.658 1.00 0.00 C ATOM 618 C GLN A 50 0.643 22.273 -15.962 1.00 0.00 C ATOM 619 O GLN A 50 0.914 21.903 -14.824 1.00 0.00 O ATOM 620 CB GLN A 50 1.674 23.009 -18.131 1.00 0.00 C ATOM 621 CG GLN A 50 2.709 23.887 -18.799 1.00 0.00 C ATOM 622 CD GLN A 50 2.516 24.010 -20.287 1.00 0.00 C ATOM 623 OE1 GLN A 50 1.977 23.119 -20.940 1.00 0.00 O ATOM 624 NE2 GLN A 50 2.996 25.099 -20.836 1.00 0.00 N ATOM 0 H GLN A 50 3.534 23.037 -16.487 1.00 0.00 H new ATOM 0 HA GLN A 50 0.934 24.289 -16.588 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.975 21.966 -18.223 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.723 23.114 -18.654 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.675 24.881 -18.352 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.701 23.482 -18.601 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.435 25.812 -20.254 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.930 25.233 -21.845 1.00 0.00 H new ATOM 633 N THR A 51 -0.378 21.800 -16.629 1.00 0.00 N ATOM 634 CA THR A 51 -1.231 20.780 -16.066 1.00 0.00 C ATOM 635 C THR A 51 -1.675 19.798 -17.149 1.00 0.00 C ATOM 636 O THR A 51 -2.394 20.170 -18.077 1.00 0.00 O ATOM 637 CB THR A 51 -2.468 21.405 -15.390 1.00 0.00 C ATOM 638 OG1 THR A 51 -2.044 22.453 -14.503 1.00 0.00 O ATOM 639 CG2 THR A 51 -3.237 20.358 -14.597 1.00 0.00 C ATOM 0 H THR A 51 -0.641 22.105 -17.566 1.00 0.00 H new ATOM 0 HA THR A 51 -0.657 20.244 -15.311 1.00 0.00 H new ATOM 0 HB THR A 51 -3.122 21.807 -16.164 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.828 22.854 -14.072 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.105 20.821 -14.129 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.567 19.564 -15.267 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.591 19.938 -13.827 1.00 0.00 H new ATOM 647 N PRO A 52 -1.235 18.528 -17.066 1.00 0.00 N ATOM 648 CA PRO A 52 -0.341 18.045 -15.991 1.00 0.00 C ATOM 649 C PRO A 52 1.087 18.595 -16.119 1.00 0.00 C ATOM 650 O PRO A 52 1.690 19.006 -15.137 1.00 0.00 O ATOM 651 CB PRO A 52 -0.349 16.525 -16.183 1.00 0.00 C ATOM 652 CG PRO A 52 -0.677 16.324 -17.625 1.00 0.00 C ATOM 653 CD PRO A 52 -1.596 17.454 -18.009 1.00 0.00 C ATOM 0 HA PRO A 52 -0.678 18.369 -15.006 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.619 16.090 -15.933 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.089 16.049 -15.539 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.227 16.333 -18.235 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.159 15.359 -17.784 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.444 17.761 -19.044 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.644 17.170 -17.911 1.00 0.00 H new ATOM 661 N CYS A 53 1.609 18.584 -17.337 1.00 0.00 N ATOM 662 CA CYS A 53 2.931 19.096 -17.627 1.00 0.00 C ATOM 663 C CYS A 53 3.103 19.218 -19.125 1.00 0.00 C ATOM 664 O CYS A 53 2.550 18.421 -19.879 1.00 0.00 O ATOM 665 CB CYS A 53 3.997 18.167 -17.063 1.00 0.00 C ATOM 666 SG CYS A 53 5.697 18.767 -17.277 1.00 0.00 S ATOM 0 H CYS A 53 1.120 18.216 -18.153 1.00 0.00 H new ATOM 0 HA CYS A 53 3.041 20.076 -17.162 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.807 18.018 -16.000 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.905 17.193 -17.543 1.00 0.00 H new ATOM 671 N GLY A 54 3.859 20.202 -19.556 1.00 0.00 N ATOM 672 CA GLY A 54 4.074 20.398 -20.968 1.00 0.00 C ATOM 673 C GLY A 54 5.408 19.856 -21.431 1.00 0.00 C ATOM 674 O GLY A 54 5.624 19.675 -22.630 1.00 0.00 O ATOM 0 H GLY A 54 4.332 20.874 -18.952 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.274 19.910 -21.525 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.019 21.462 -21.196 1.00 0.00 H new ATOM 678 N CYS A 55 6.315 19.597 -20.484 1.00 0.00 N ATOM 679 CA CYS A 55 7.626 19.078 -20.814 1.00 0.00 C ATOM 680 C CYS A 55 7.511 17.716 -21.487 1.00 0.00 C ATOM 681 O CYS A 55 7.717 17.593 -22.693 1.00 0.00 O ATOM 682 CB CYS A 55 8.495 18.970 -19.559 1.00 0.00 C ATOM 683 SG CYS A 55 8.883 20.540 -18.755 1.00 0.00 S ATOM 0 H CYS A 55 6.156 19.741 -19.487 1.00 0.00 H new ATOM 0 HA CYS A 55 8.099 19.772 -21.508 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.988 18.327 -18.839 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.429 18.476 -19.825 1.00 0.00 H new ATOM 688 N GLY A 56 7.154 16.703 -20.706 1.00 0.00 N ATOM 689 CA GLY A 56 7.041 15.358 -21.237 1.00 0.00 C ATOM 690 C GLY A 56 8.349 14.874 -21.829 1.00 0.00 C ATOM 691 O GLY A 56 9.320 14.662 -21.106 1.00 0.00 O ATOM 0 H GLY A 56 6.940 16.790 -19.712 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.728 14.679 -20.444 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.265 15.333 -22.002 1.00 0.00 H new ATOM 695 N SER A 57 8.381 14.729 -23.142 1.00 0.00 N ATOM 696 CA SER A 57 9.579 14.289 -23.836 1.00 0.00 C ATOM 697 C SER A 57 10.378 15.487 -24.352 1.00 0.00 C ATOM 698 O SER A 57 11.429 15.328 -24.964 1.00 0.00 O ATOM 699 CB SER A 57 9.211 13.359 -24.984 1.00 0.00 C ATOM 700 OG SER A 57 8.516 12.215 -24.505 1.00 0.00 O ATOM 0 H SER A 57 7.585 14.911 -23.753 1.00 0.00 H new ATOM 0 HA SER A 57 10.205 13.742 -23.130 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.590 13.892 -25.705 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.114 13.048 -25.509 1.00 0.00 H new ATOM 0 HG SER A 57 8.287 11.632 -25.259 1.00 0.00 H new ATOM 706 N GLY A 58 9.861 16.674 -24.099 1.00 0.00 N ATOM 707 CA GLY A 58 10.535 17.894 -24.485 1.00 0.00 C ATOM 708 C GLY A 58 10.716 18.790 -23.287 1.00 0.00 C ATOM 709 O GLY A 58 10.032 19.799 -23.140 1.00 0.00 O ATOM 0 H GLY A 58 8.970 16.817 -23.624 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.505 17.659 -24.923 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.957 18.411 -25.251 1.00 0.00 H new ATOM 713 N CYS A 59 11.621 18.406 -22.425 1.00 0.00 N ATOM 714 CA CYS A 59 11.848 19.103 -21.176 1.00 0.00 C ATOM 715 C CYS A 59 12.954 20.152 -21.287 1.00 0.00 C ATOM 716 O CYS A 59 13.826 20.065 -22.158 1.00 0.00 O ATOM 717 CB CYS A 59 12.184 18.083 -20.098 1.00 0.00 C ATOM 718 SG CYS A 59 12.804 18.794 -18.577 1.00 0.00 S ATOM 0 H CYS A 59 12.227 17.598 -22.566 1.00 0.00 H new ATOM 0 HA CYS A 59 10.937 19.641 -20.914 1.00 0.00 H new ATOM 0 HB2 CYS A 59 11.290 17.500 -19.875 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.927 17.389 -20.490 1.00 0.00 H new ATOM 723 N ASN A 60 12.904 21.147 -20.395 1.00 0.00 N ATOM 724 CA ASN A 60 13.897 22.213 -20.361 1.00 0.00 C ATOM 725 C ASN A 60 14.008 22.788 -18.938 1.00 0.00 C ATOM 726 O ASN A 60 14.229 23.989 -18.751 1.00 0.00 O ATOM 727 CB ASN A 60 13.517 23.320 -21.354 1.00 0.00 C ATOM 728 CG ASN A 60 14.712 24.153 -21.810 1.00 0.00 C ATOM 729 OD1 ASN A 60 15.399 23.795 -22.759 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.950 25.275 -21.156 1.00 0.00 N ATOM 0 H ASN A 60 12.178 21.231 -19.684 1.00 0.00 H new ATOM 0 HA ASN A 60 14.865 21.803 -20.648 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.042 22.870 -22.226 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.779 23.976 -20.892 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.726 25.874 -21.437 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.358 25.543 -20.370 1.00 0.00 H new ATOM 737 N CYS A 61 13.837 21.925 -17.935 1.00 0.00 N ATOM 738 CA CYS A 61 13.957 22.338 -16.530 1.00 0.00 C ATOM 739 C CYS A 61 15.414 22.642 -16.159 1.00 0.00 C ATOM 740 O CYS A 61 16.312 22.597 -17.005 1.00 0.00 O ATOM 741 CB CYS A 61 13.393 21.266 -15.589 1.00 0.00 C ATOM 742 SG CYS A 61 11.604 21.342 -15.356 1.00 0.00 S ATOM 0 H CYS A 61 13.616 20.938 -18.066 1.00 0.00 H new ATOM 0 HA CYS A 61 13.373 23.251 -16.412 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.654 20.283 -15.980 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.878 21.362 -14.617 1.00 0.00 H new ATOM 747 N LYS A 62 15.642 22.927 -14.886 1.00 0.00 N ATOM 748 CA LYS A 62 16.965 23.298 -14.407 1.00 0.00 C ATOM 749 C LYS A 62 17.772 22.069 -13.964 1.00 0.00 C ATOM 750 O LYS A 62 18.633 21.587 -14.695 1.00 0.00 O ATOM 751 CB LYS A 62 16.842 24.284 -13.243 1.00 0.00 C ATOM 752 CG LYS A 62 16.327 25.678 -13.613 1.00 0.00 C ATOM 753 CD LYS A 62 17.431 26.565 -14.199 1.00 0.00 C ATOM 754 CE LYS A 62 18.558 26.815 -13.202 1.00 0.00 C ATOM 755 NZ LYS A 62 19.696 27.540 -13.822 1.00 0.00 N ATOM 0 H LYS A 62 14.923 22.908 -14.162 1.00 0.00 H new ATOM 0 HA LYS A 62 17.497 23.770 -15.233 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.174 23.856 -12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.820 24.390 -12.774 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.516 25.584 -14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.910 26.157 -12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.837 26.093 -15.094 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.003 27.519 -14.508 1.00 0.00 H new ATOM 0 HE2 LYS A 62 18.176 27.392 -12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.908 25.863 -12.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.440 27.690 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.077 26.978 -14.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.368 28.460 -14.179 1.00 0.00 H new ATOM 769 N GLU A 63 17.468 21.565 -12.772 1.00 0.00 N ATOM 770 CA GLU A 63 18.186 20.422 -12.194 1.00 0.00 C ATOM 771 C GLU A 63 17.454 19.936 -10.945 1.00 0.00 C ATOM 772 O GLU A 63 17.331 18.741 -10.704 1.00 0.00 O ATOM 773 CB GLU A 63 19.642 20.833 -11.836 1.00 0.00 C ATOM 774 CG GLU A 63 20.508 19.718 -11.234 1.00 0.00 C ATOM 775 CD GLU A 63 21.662 19.299 -12.140 1.00 0.00 C ATOM 776 OE1 GLU A 63 21.520 18.274 -12.850 1.00 0.00 O ATOM 777 OE2 GLU A 63 22.699 19.986 -12.155 1.00 0.00 O ATOM 0 H GLU A 63 16.723 21.931 -12.179 1.00 0.00 H new ATOM 0 HA GLU A 63 18.221 19.614 -12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 63 20.130 21.203 -12.738 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.605 21.663 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 63 20.909 20.054 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.881 18.850 -11.030 1.00 0.00 H new ATOM 784 N ASP A 64 16.944 20.881 -10.178 1.00 0.00 N ATOM 785 CA ASP A 64 16.250 20.600 -8.938 1.00 0.00 C ATOM 786 C ASP A 64 14.739 20.379 -9.163 1.00 0.00 C ATOM 787 O ASP A 64 13.911 21.000 -8.503 1.00 0.00 O ATOM 788 CB ASP A 64 16.474 21.779 -7.986 1.00 0.00 C ATOM 789 CG ASP A 64 17.927 21.925 -7.551 1.00 0.00 C ATOM 790 OD1 ASP A 64 18.244 21.620 -6.383 1.00 0.00 O ATOM 791 OD2 ASP A 64 18.761 22.348 -8.382 1.00 0.00 O ATOM 0 H ASP A 64 17.001 21.875 -10.401 1.00 0.00 H new ATOM 0 HA ASP A 64 16.647 19.679 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.152 22.699 -8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.847 21.650 -7.103 1.00 0.00 H new ATOM 796 N CYS A 65 14.392 19.497 -10.097 1.00 0.00 N ATOM 797 CA CYS A 65 12.976 19.202 -10.383 1.00 0.00 C ATOM 798 C CYS A 65 12.579 17.834 -9.843 1.00 0.00 C ATOM 799 O CYS A 65 13.352 16.877 -9.939 1.00 0.00 O ATOM 800 CB CYS A 65 12.698 19.254 -11.888 1.00 0.00 C ATOM 801 SG CYS A 65 11.014 18.748 -12.352 1.00 0.00 S ATOM 0 H CYS A 65 15.058 18.975 -10.667 1.00 0.00 H new ATOM 0 HA CYS A 65 12.380 19.966 -9.883 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.871 20.270 -12.243 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.413 18.611 -12.401 1.00 0.00 H new ATOM 806 N ARG A 66 11.366 17.741 -9.292 1.00 0.00 N ATOM 807 CA ARG A 66 10.858 16.471 -8.749 1.00 0.00 C ATOM 808 C ARG A 66 9.643 15.970 -9.483 1.00 0.00 C ATOM 809 O ARG A 66 8.876 15.158 -8.959 1.00 0.00 O ATOM 810 CB ARG A 66 10.593 16.535 -7.229 1.00 0.00 C ATOM 811 CG ARG A 66 10.160 17.890 -6.673 1.00 0.00 C ATOM 812 CD ARG A 66 8.927 18.456 -7.375 1.00 0.00 C ATOM 813 NE ARG A 66 7.782 17.548 -7.356 1.00 0.00 N ATOM 814 CZ ARG A 66 6.788 17.585 -8.259 1.00 0.00 C ATOM 815 NH1 ARG A 66 6.802 18.490 -9.238 1.00 0.00 N ATOM 816 NH2 ARG A 66 5.786 16.716 -8.184 1.00 0.00 N ATOM 0 H ARG A 66 10.717 18.524 -9.209 1.00 0.00 H new ATOM 0 HA ARG A 66 11.658 15.749 -8.910 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.823 15.803 -6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.501 16.227 -6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.951 17.790 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.984 18.597 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.645 19.395 -6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.181 18.688 -8.409 1.00 0.00 H new ATOM 0 HE ARG A 66 7.735 16.847 -6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.570 19.158 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.045 18.514 -9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.770 16.019 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.032 16.746 -8.871 1.00 0.00 H new ATOM 830 N CYS A 67 9.468 16.427 -10.685 1.00 0.00 N ATOM 831 CA CYS A 67 8.372 15.966 -11.477 1.00 0.00 C ATOM 832 C CYS A 67 8.775 14.727 -12.253 1.00 0.00 C ATOM 833 O CYS A 67 9.647 14.784 -13.118 1.00 0.00 O ATOM 834 CB CYS A 67 7.889 17.037 -12.425 1.00 0.00 C ATOM 835 SG CYS A 67 6.459 16.529 -13.377 1.00 0.00 S ATOM 0 H CYS A 67 10.068 17.117 -11.137 1.00 0.00 H new ATOM 0 HA CYS A 67 7.552 15.718 -10.803 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.642 17.934 -11.857 1.00 0.00 H new ATOM 0 HB3 CYS A 67 8.697 17.304 -13.106 1.00 0.00 H new ATOM 840 N GLN A 68 8.129 13.614 -11.957 1.00 0.00 N ATOM 841 CA GLN A 68 8.454 12.342 -12.596 1.00 0.00 C ATOM 842 C GLN A 68 7.820 12.238 -13.980 1.00 0.00 C ATOM 843 O GLN A 68 7.911 11.206 -14.638 1.00 0.00 O ATOM 844 CB GLN A 68 8.008 11.161 -11.721 1.00 0.00 C ATOM 845 CG GLN A 68 6.494 11.052 -11.527 1.00 0.00 C ATOM 846 CD GLN A 68 6.083 11.072 -10.066 1.00 0.00 C ATOM 847 OE1 GLN A 68 5.094 10.458 -9.670 1.00 0.00 O ATOM 848 NE2 GLN A 68 6.826 11.807 -9.259 1.00 0.00 N ATOM 0 H GLN A 68 7.372 13.560 -11.276 1.00 0.00 H new ATOM 0 HA GLN A 68 9.537 12.302 -12.713 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.372 10.236 -12.168 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.481 11.250 -10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.006 11.876 -12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.139 10.129 -11.986 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.639 12.302 -9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.587 11.880 -8.270 1.00 0.00 H new ATOM 857 N SER A 69 7.194 13.314 -14.422 1.00 0.00 N ATOM 858 CA SER A 69 6.549 13.325 -15.708 1.00 0.00 C ATOM 859 C SER A 69 7.554 13.687 -16.792 1.00 0.00 C ATOM 860 O SER A 69 7.469 13.201 -17.921 1.00 0.00 O ATOM 861 CB SER A 69 5.376 14.316 -15.705 1.00 0.00 C ATOM 862 OG SER A 69 4.602 14.208 -16.889 1.00 0.00 O ATOM 0 H SER A 69 7.123 14.189 -13.903 1.00 0.00 H new ATOM 0 HA SER A 69 6.157 12.330 -15.917 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.743 14.130 -14.837 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.757 15.333 -15.610 1.00 0.00 H new ATOM 0 HG SER A 69 3.863 14.850 -16.856 1.00 0.00 H new ATOM 868 N CYS A 70 8.519 14.526 -16.444 1.00 0.00 N ATOM 869 CA CYS A 70 9.512 14.948 -17.405 1.00 0.00 C ATOM 870 C CYS A 70 10.921 14.483 -17.025 1.00 0.00 C ATOM 871 O CYS A 70 11.774 14.302 -17.898 1.00 0.00 O ATOM 872 CB CYS A 70 9.456 16.459 -17.596 1.00 0.00 C ATOM 873 SG CYS A 70 9.678 17.425 -16.088 1.00 0.00 S ATOM 0 H CYS A 70 8.630 14.922 -15.511 1.00 0.00 H new ATOM 0 HA CYS A 70 9.276 14.470 -18.356 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.225 16.749 -18.312 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.494 16.719 -18.038 1.00 0.00 H new ATOM 878 N SER A 71 11.165 14.283 -15.732 1.00 0.00 N ATOM 879 CA SER A 71 12.463 13.803 -15.273 1.00 0.00 C ATOM 880 C SER A 71 12.716 12.392 -15.809 1.00 0.00 C ATOM 881 O SER A 71 11.776 11.604 -15.956 1.00 0.00 O ATOM 882 CB SER A 71 12.522 13.812 -13.740 1.00 0.00 C ATOM 883 OG SER A 71 11.550 12.951 -13.188 1.00 0.00 O ATOM 0 H SER A 71 10.485 14.445 -14.989 1.00 0.00 H new ATOM 0 HA SER A 71 13.240 14.467 -15.651 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.514 13.504 -13.410 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.364 14.826 -13.373 1.00 0.00 H new ATOM 0 HG SER A 71 10.847 13.483 -12.760 1.00 0.00 H new ATOM 889 N THR A 72 13.970 12.078 -16.117 1.00 0.00 N ATOM 890 CA THR A 72 14.299 10.768 -16.645 1.00 0.00 C ATOM 891 C THR A 72 14.060 9.694 -15.593 1.00 0.00 C ATOM 892 O THR A 72 14.241 9.931 -14.383 1.00 0.00 O ATOM 893 CB THR A 72 15.759 10.691 -17.177 1.00 0.00 C ATOM 894 OG1 THR A 72 15.900 9.556 -18.038 1.00 0.00 O ATOM 895 CG2 THR A 72 16.764 10.569 -16.037 1.00 0.00 C ATOM 0 H THR A 72 14.765 12.708 -16.010 1.00 0.00 H new ATOM 0 HA THR A 72 13.639 10.591 -17.494 1.00 0.00 H new ATOM 0 HB THR A 72 15.961 11.612 -17.723 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.820 9.512 -18.373 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.773 10.518 -16.446 1.00 0.00 H new ATOM 0 HG22 THR A 72 16.681 11.438 -15.384 1.00 0.00 H new ATOM 0 HG23 THR A 72 16.558 9.664 -15.465 1.00 0.00 H new ATOM 903 N ALA A 73 13.640 8.531 -16.050 1.00 0.00 N ATOM 904 CA ALA A 73 13.335 7.438 -15.177 1.00 0.00 C ATOM 905 C ALA A 73 14.570 6.940 -14.456 1.00 0.00 C ATOM 906 O ALA A 73 15.551 6.529 -15.081 1.00 0.00 O ATOM 907 CB ALA A 73 12.682 6.304 -15.950 1.00 0.00 C ATOM 0 H ALA A 73 13.504 8.327 -17.040 1.00 0.00 H new ATOM 0 HA ALA A 73 12.634 7.802 -14.426 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.457 5.482 -15.270 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.759 6.660 -16.407 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.361 5.956 -16.728 1.00 0.00 H new ATOM 913 N CYS A 74 14.521 7.028 -13.145 1.00 0.00 N ATOM 914 CA CYS A 74 15.546 6.484 -12.277 1.00 0.00 C ATOM 915 C CYS A 74 15.743 5.015 -12.553 1.00 0.00 C ATOM 916 O CYS A 74 14.871 4.361 -13.137 1.00 0.00 O ATOM 917 CB CYS A 74 15.079 6.612 -10.883 1.00 0.00 C ATOM 918 SG CYS A 74 15.217 8.241 -10.357 1.00 0.00 S ATOM 0 H CYS A 74 13.759 7.485 -12.644 1.00 0.00 H new ATOM 0 HA CYS A 74 16.480 7.020 -12.447 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.042 6.285 -10.808 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.666 5.962 -10.234 1.00 0.00 H new ATOM 923 N LYS A 75 16.836 4.476 -12.119 1.00 0.00 N ATOM 924 CA LYS A 75 17.035 3.037 -12.296 1.00 0.00 C ATOM 925 C LYS A 75 16.747 2.273 -11.008 1.00 0.00 C ATOM 926 O LYS A 75 17.315 1.206 -10.754 1.00 0.00 O ATOM 927 CB LYS A 75 18.416 2.710 -12.857 1.00 0.00 C ATOM 928 CG LYS A 75 18.527 2.929 -14.367 1.00 0.00 C ATOM 929 CD LYS A 75 17.570 2.013 -15.156 1.00 0.00 C ATOM 930 CE LYS A 75 17.618 2.327 -16.642 1.00 0.00 C ATOM 931 NZ LYS A 75 18.954 2.043 -17.228 1.00 0.00 N ATOM 0 H LYS A 75 17.594 4.973 -11.652 1.00 0.00 H new ATOM 0 HA LYS A 75 16.312 2.703 -13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.160 3.326 -12.352 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.656 1.671 -12.630 1.00 0.00 H new ATOM 0 HG2 LYS A 75 18.305 3.971 -14.599 1.00 0.00 H new ATOM 0 HG3 LYS A 75 19.552 2.742 -14.686 1.00 0.00 H new ATOM 0 HD2 LYS A 75 17.841 0.970 -14.992 1.00 0.00 H new ATOM 0 HD3 LYS A 75 16.552 2.140 -14.787 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.862 1.739 -17.162 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.369 3.376 -16.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.903 2.124 -18.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 19.647 2.727 -16.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 19.249 1.080 -16.970 1.00 0.00 H new ATOM 945 N CYS A 76 15.839 2.816 -10.212 1.00 0.00 N ATOM 946 CA CYS A 76 15.438 2.199 -8.980 1.00 0.00 C ATOM 947 C CYS A 76 14.455 1.067 -9.217 1.00 0.00 C ATOM 948 O CYS A 76 13.613 1.133 -10.112 1.00 0.00 O ATOM 949 CB CYS A 76 14.827 3.229 -8.072 1.00 0.00 C ATOM 950 SG CYS A 76 15.764 4.740 -8.021 1.00 0.00 S ATOM 0 H CYS A 76 15.366 3.697 -10.412 1.00 0.00 H new ATOM 0 HA CYS A 76 16.326 1.776 -8.510 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.813 3.446 -8.406 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.750 2.820 -7.065 1.00 0.00 H new ATOM 955 N ALA A 77 14.550 0.065 -8.356 1.00 0.00 N ATOM 956 CA ALA A 77 13.785 -1.159 -8.436 1.00 0.00 C ATOM 957 C ALA A 77 14.352 -2.145 -7.431 1.00 0.00 C ATOM 958 O ALA A 77 15.560 -2.156 -7.204 1.00 0.00 O ATOM 959 CB ALA A 77 13.907 -1.743 -9.821 1.00 0.00 C ATOM 0 H ALA A 77 15.184 0.088 -7.558 1.00 0.00 H new ATOM 0 HA ALA A 77 12.736 -0.956 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.330 -2.666 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.526 -1.030 -10.552 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.954 -1.956 -10.035 1.00 0.00 H new ATOM 965 N ALA A 78 13.488 -2.939 -6.818 1.00 0.00 N ATOM 966 CA ALA A 78 13.906 -3.968 -5.858 1.00 0.00 C ATOM 967 C ALA A 78 14.831 -3.405 -4.768 1.00 0.00 C ATOM 968 O ALA A 78 15.970 -3.849 -4.611 1.00 0.00 O ATOM 969 CB ALA A 78 14.573 -5.131 -6.586 1.00 0.00 C ATOM 0 H ALA A 78 12.480 -2.895 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 78 13.009 -4.331 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.878 -5.887 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.869 -5.569 -7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.449 -4.769 -7.124 1.00 0.00 H new ATOM 975 N GLY A 79 14.335 -2.417 -4.038 1.00 0.00 N ATOM 976 CA GLY A 79 15.103 -1.817 -2.956 1.00 0.00 C ATOM 977 C GLY A 79 16.349 -1.079 -3.429 1.00 0.00 C ATOM 978 O GLY A 79 17.410 -1.205 -2.832 1.00 0.00 O ATOM 0 H GLY A 79 13.408 -2.015 -4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.465 -1.122 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.398 -2.597 -2.254 1.00 0.00 H new ATOM 982 N SER A 80 16.225 -0.312 -4.500 1.00 0.00 N ATOM 983 CA SER A 80 17.346 0.434 -5.021 1.00 0.00 C ATOM 984 C SER A 80 17.120 1.953 -4.914 1.00 0.00 C ATOM 985 O SER A 80 17.885 2.740 -5.461 1.00 0.00 O ATOM 986 CB SER A 80 17.604 0.016 -6.461 1.00 0.00 C ATOM 987 OG SER A 80 18.073 -1.319 -6.524 1.00 0.00 O ATOM 0 H SER A 80 15.357 -0.193 -5.022 1.00 0.00 H new ATOM 0 HA SER A 80 18.225 0.206 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.686 0.111 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.337 0.685 -6.912 1.00 0.00 H new ATOM 0 HG SER A 80 17.337 -1.912 -6.782 1.00 0.00 H new ATOM 993 N CYS A 81 16.077 2.356 -4.195 1.00 0.00 N ATOM 994 CA CYS A 81 15.807 3.772 -3.985 1.00 0.00 C ATOM 995 C CYS A 81 16.406 4.181 -2.643 1.00 0.00 C ATOM 996 O CYS A 81 15.699 4.309 -1.639 1.00 0.00 O ATOM 997 CB CYS A 81 14.313 4.049 -3.986 1.00 0.00 C ATOM 998 SG CYS A 81 13.790 5.341 -5.144 1.00 0.00 S ATOM 0 H CYS A 81 15.409 1.726 -3.751 1.00 0.00 H new ATOM 0 HA CYS A 81 16.254 4.347 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 81 13.785 3.126 -4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.009 4.336 -2.979 1.00 0.00 H new ATOM 1003 N LYS A 82 17.708 4.361 -2.637 1.00 0.00 N ATOM 1004 CA LYS A 82 18.475 4.632 -1.417 1.00 0.00 C ATOM 1005 C LYS A 82 18.216 6.011 -0.811 1.00 0.00 C ATOM 1006 O LYS A 82 18.831 6.364 0.188 1.00 0.00 O ATOM 1007 CB LYS A 82 19.940 4.511 -1.720 1.00 0.00 C ATOM 1008 CG LYS A 82 20.385 5.435 -2.817 1.00 0.00 C ATOM 1009 CD LYS A 82 21.868 5.484 -2.895 1.00 0.00 C ATOM 1010 CE LYS A 82 22.327 6.370 -4.048 1.00 0.00 C ATOM 1011 NZ LYS A 82 23.802 6.529 -4.087 1.00 0.00 N ATOM 0 H LYS A 82 18.280 4.325 -3.481 1.00 0.00 H new ATOM 0 HA LYS A 82 18.148 3.897 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 82 20.512 4.724 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 82 20.164 3.483 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.977 5.099 -3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.992 6.436 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.272 5.864 -1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.262 4.476 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.986 5.941 -4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.861 7.351 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.050 7.313 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 24.154 6.735 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.237 5.650 -4.434 1.00 0.00 H new ATOM 1025 N CYS A 83 17.316 6.781 -1.389 1.00 0.00 N ATOM 1026 CA CYS A 83 17.053 8.120 -0.896 1.00 0.00 C ATOM 1027 C CYS A 83 16.457 8.054 0.495 1.00 0.00 C ATOM 1028 O CYS A 83 16.620 8.968 1.298 1.00 0.00 O ATOM 1029 CB CYS A 83 16.102 8.847 -1.823 1.00 0.00 C ATOM 1030 SG CYS A 83 14.477 8.083 -1.919 1.00 0.00 S ATOM 0 H CYS A 83 16.757 6.506 -2.196 1.00 0.00 H new ATOM 0 HA CYS A 83 17.996 8.666 -0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 83 15.992 9.877 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 83 16.537 8.885 -2.822 1.00 0.00 H new ATOM 1035 N GLY A 84 15.774 6.960 0.773 1.00 0.00 N ATOM 1036 CA GLY A 84 15.170 6.788 2.056 1.00 0.00 C ATOM 1037 C GLY A 84 13.680 6.642 1.951 1.00 0.00 C ATOM 1038 O GLY A 84 13.027 6.167 2.877 1.00 0.00 O ATOM 0 H GLY A 84 15.631 6.187 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.589 5.906 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.409 7.643 2.689 1.00 0.00 H new ATOM 1042 N LYS A 85 13.134 7.048 0.816 1.00 0.00 N ATOM 1043 CA LYS A 85 11.708 6.937 0.585 1.00 0.00 C ATOM 1044 C LYS A 85 11.356 5.524 0.139 1.00 0.00 C ATOM 1045 O LYS A 85 10.261 5.037 0.401 1.00 0.00 O ATOM 1046 CB LYS A 85 11.238 7.961 -0.457 1.00 0.00 C ATOM 1047 CG LYS A 85 11.524 9.419 -0.084 1.00 0.00 C ATOM 1048 CD LYS A 85 10.914 9.800 1.265 1.00 0.00 C ATOM 1049 CE LYS A 85 9.398 9.630 1.272 1.00 0.00 C ATOM 1050 NZ LYS A 85 8.815 9.959 2.595 1.00 0.00 N ATOM 0 H LYS A 85 13.659 7.457 0.043 1.00 0.00 H new ATOM 0 HA LYS A 85 11.193 7.149 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.721 7.741 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.165 7.841 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.602 9.579 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.127 10.075 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.352 9.182 2.049 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.164 10.835 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.956 10.272 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.146 8.603 1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.783 9.832 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.218 9.329 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.034 10.947 2.835 1.00 0.00 H new ATOM 1064 N GLY A 86 12.304 4.869 -0.526 1.00 0.00 N ATOM 1065 CA GLY A 86 12.092 3.506 -0.979 1.00 0.00 C ATOM 1066 C GLY A 86 11.041 3.409 -2.065 1.00 0.00 C ATOM 1067 O GLY A 86 10.300 2.428 -2.135 1.00 0.00 O ATOM 0 H GLY A 86 13.217 5.259 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.033 3.101 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.792 2.888 -0.132 1.00 0.00 H new ATOM 1071 N CYS A 87 10.981 4.424 -2.915 1.00 0.00 N ATOM 1072 CA CYS A 87 10.013 4.467 -3.998 1.00 0.00 C ATOM 1073 C CYS A 87 10.218 3.306 -4.953 1.00 0.00 C ATOM 1074 O CYS A 87 9.256 2.651 -5.364 1.00 0.00 O ATOM 1075 CB CYS A 87 10.128 5.787 -4.735 1.00 0.00 C ATOM 1076 SG CYS A 87 9.935 7.216 -3.664 1.00 0.00 S ATOM 0 H CYS A 87 11.598 5.235 -2.873 1.00 0.00 H new ATOM 0 HA CYS A 87 9.012 4.380 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 87 11.100 5.838 -5.226 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.372 5.825 -5.520 1.00 0.00 H new ATOM 1081 N THR A 88 11.482 3.054 -5.295 1.00 0.00 N ATOM 1082 CA THR A 88 11.874 1.941 -6.160 1.00 0.00 C ATOM 1083 C THR A 88 11.065 1.922 -7.448 1.00 0.00 C ATOM 1084 O THR A 88 10.451 0.917 -7.806 1.00 0.00 O ATOM 1085 CB THR A 88 11.774 0.577 -5.425 1.00 0.00 C ATOM 1086 OG1 THR A 88 10.448 0.368 -4.916 1.00 0.00 O ATOM 1087 CG2 THR A 88 12.761 0.539 -4.273 1.00 0.00 C ATOM 0 H THR A 88 12.268 3.621 -4.977 1.00 0.00 H new ATOM 0 HA THR A 88 12.920 2.099 -6.424 1.00 0.00 H new ATOM 0 HB THR A 88 12.007 -0.213 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.830 0.996 -5.345 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.686 -0.420 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.773 0.668 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.534 1.343 -3.573 1.00 0.00 H new ATOM 1095 N GLY A 89 11.081 3.038 -8.132 1.00 0.00 N ATOM 1096 CA GLY A 89 10.336 3.182 -9.347 1.00 0.00 C ATOM 1097 C GLY A 89 10.142 4.638 -9.692 1.00 0.00 C ATOM 1098 O GLY A 89 9.976 5.460 -8.801 1.00 0.00 O ATOM 0 H GLY A 89 11.610 3.867 -7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.859 2.678 -10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.366 2.697 -9.243 1.00 0.00 H new ATOM 1102 N PRO A 90 10.113 4.976 -10.975 1.00 0.00 N ATOM 1103 CA PRO A 90 10.033 6.370 -11.424 1.00 0.00 C ATOM 1104 C PRO A 90 8.665 6.985 -11.180 1.00 0.00 C ATOM 1105 O PRO A 90 8.549 8.174 -10.919 1.00 0.00 O ATOM 1106 CB PRO A 90 10.333 6.287 -12.918 1.00 0.00 C ATOM 1107 CG PRO A 90 9.964 4.898 -13.318 1.00 0.00 C ATOM 1108 CD PRO A 90 10.121 4.026 -12.089 1.00 0.00 C ATOM 0 HA PRO A 90 10.725 7.010 -10.877 1.00 0.00 H new ATOM 0 HB2 PRO A 90 9.755 7.024 -13.476 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.385 6.488 -13.119 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.939 4.863 -13.687 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.606 4.546 -14.125 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.307 3.306 -12.005 1.00 0.00 H new ATOM 0 HD3 PRO A 90 11.050 3.456 -12.120 1.00 0.00 H new ATOM 1116 N ASP A 91 7.633 6.163 -11.247 1.00 0.00 N ATOM 1117 CA ASP A 91 6.275 6.631 -11.016 1.00 0.00 C ATOM 1118 C ASP A 91 6.035 6.791 -9.526 1.00 0.00 C ATOM 1119 O ASP A 91 5.139 7.511 -9.091 1.00 0.00 O ATOM 1120 CB ASP A 91 5.260 5.650 -11.614 1.00 0.00 C ATOM 1121 CG ASP A 91 3.824 6.046 -11.335 1.00 0.00 C ATOM 1122 OD1 ASP A 91 3.319 6.972 -12.003 1.00 0.00 O ATOM 1123 OD2 ASP A 91 3.191 5.426 -10.444 1.00 0.00 O ATOM 0 H ASP A 91 7.708 5.168 -11.459 1.00 0.00 H new ATOM 0 HA ASP A 91 6.147 7.597 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.412 5.589 -12.692 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.442 4.654 -11.210 1.00 0.00 H new ATOM 1128 N SER A 92 6.862 6.136 -8.751 1.00 0.00 N ATOM 1129 CA SER A 92 6.734 6.167 -7.326 1.00 0.00 C ATOM 1130 C SER A 92 7.559 7.306 -6.751 1.00 0.00 C ATOM 1131 O SER A 92 7.135 7.968 -5.803 1.00 0.00 O ATOM 1132 CB SER A 92 7.178 4.830 -6.748 1.00 0.00 C ATOM 1133 OG SER A 92 6.494 3.760 -7.387 1.00 0.00 O ATOM 0 H SER A 92 7.638 5.570 -9.094 1.00 0.00 H new ATOM 0 HA SER A 92 5.691 6.336 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.254 4.710 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.981 4.807 -5.676 1.00 0.00 H new ATOM 0 HG SER A 92 6.791 2.908 -7.006 1.00 0.00 H new ATOM 1139 N CYS A 93 8.721 7.545 -7.357 1.00 0.00 N ATOM 1140 CA CYS A 93 9.636 8.584 -6.912 1.00 0.00 C ATOM 1141 C CYS A 93 8.972 9.945 -6.805 1.00 0.00 C ATOM 1142 O CYS A 93 8.691 10.585 -7.800 1.00 0.00 O ATOM 1143 CB CYS A 93 10.865 8.671 -7.832 1.00 0.00 C ATOM 1144 SG CYS A 93 12.123 7.443 -7.490 1.00 0.00 S ATOM 0 H CYS A 93 9.050 7.022 -8.169 1.00 0.00 H new ATOM 0 HA CYS A 93 9.957 8.297 -5.911 1.00 0.00 H new ATOM 0 HB2 CYS A 93 10.539 8.563 -8.867 1.00 0.00 H new ATOM 0 HB3 CYS A 93 11.306 9.663 -7.738 1.00 0.00 H new ATOM 1149 N LYS A 94 8.702 10.367 -5.583 1.00 0.00 N ATOM 1150 CA LYS A 94 8.161 11.699 -5.342 1.00 0.00 C ATOM 1151 C LYS A 94 9.340 12.653 -5.085 1.00 0.00 C ATOM 1152 O LYS A 94 9.157 13.795 -4.663 1.00 0.00 O ATOM 1153 CB LYS A 94 7.198 11.699 -4.118 1.00 0.00 C ATOM 1154 CG LYS A 94 5.978 10.744 -4.213 1.00 0.00 C ATOM 1155 CD LYS A 94 4.709 11.416 -4.800 1.00 0.00 C ATOM 1156 CE LYS A 94 4.785 11.521 -6.322 1.00 0.00 C ATOM 1157 NZ LYS A 94 4.918 10.182 -6.971 1.00 0.00 N ATOM 0 H LYS A 94 8.847 9.810 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 94 7.588 12.023 -6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.772 11.436 -3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.829 12.714 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.245 9.887 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.749 10.360 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.827 10.841 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.591 12.411 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.890 12.017 -6.696 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.635 12.144 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.647 10.253 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.904 9.859 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.295 9.501 -6.492 1.00 0.00 H new ATOM 1171 N CYS A 95 10.548 12.154 -5.370 1.00 0.00 N ATOM 1172 CA CYS A 95 11.796 12.876 -5.131 1.00 0.00 C ATOM 1173 C CYS A 95 12.289 13.604 -6.393 1.00 0.00 C ATOM 1174 O CYS A 95 11.797 13.359 -7.499 1.00 0.00 O ATOM 1175 CB CYS A 95 12.866 11.895 -4.612 1.00 0.00 C ATOM 1176 SG CYS A 95 12.912 10.289 -5.477 1.00 0.00 S ATOM 0 H CYS A 95 10.685 11.229 -5.777 1.00 0.00 H new ATOM 0 HA CYS A 95 11.609 13.641 -4.377 1.00 0.00 H new ATOM 0 HB2 CYS A 95 13.845 12.367 -4.699 1.00 0.00 H new ATOM 0 HB3 CYS A 95 12.691 11.716 -3.551 1.00 0.00 H new ATOM 1181 N ASP A 96 13.248 14.522 -6.211 1.00 0.00 N ATOM 1182 CA ASP A 96 13.804 15.297 -7.322 1.00 0.00 C ATOM 1183 C ASP A 96 14.982 14.612 -7.970 1.00 0.00 C ATOM 1184 O ASP A 96 15.600 13.742 -7.388 1.00 0.00 O ATOM 1185 CB ASP A 96 14.207 16.699 -6.873 1.00 0.00 C ATOM 1186 CG ASP A 96 15.263 16.689 -5.800 1.00 0.00 C ATOM 1187 OD1 ASP A 96 14.935 16.359 -4.642 1.00 0.00 O ATOM 1188 OD2 ASP A 96 16.419 17.016 -6.108 1.00 0.00 O ATOM 0 H ASP A 96 13.654 14.744 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 96 13.011 15.374 -8.066 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.575 17.259 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.326 17.224 -6.504 1.00 0.00 H new ATOM 1193 N ARG A 97 15.311 15.053 -9.183 1.00 0.00 N ATOM 1194 CA ARG A 97 16.411 14.456 -9.955 1.00 0.00 C ATOM 1195 C ARG A 97 17.775 14.854 -9.419 1.00 0.00 C ATOM 1196 O ARG A 97 18.801 14.418 -9.933 1.00 0.00 O ATOM 1197 CB ARG A 97 16.318 14.783 -11.455 1.00 0.00 C ATOM 1198 CG ARG A 97 16.069 16.241 -11.788 1.00 0.00 C ATOM 1199 CD ARG A 97 16.355 16.543 -13.265 1.00 0.00 C ATOM 1200 NE ARG A 97 17.760 16.892 -13.504 1.00 0.00 N ATOM 1201 CZ ARG A 97 18.182 17.639 -14.538 1.00 0.00 C ATOM 1202 NH1 ARG A 97 17.325 18.014 -15.486 1.00 0.00 N ATOM 1203 NH2 ARG A 97 19.459 18.000 -14.630 1.00 0.00 N ATOM 0 H ARG A 97 14.835 15.821 -9.656 1.00 0.00 H new ATOM 0 HA ARG A 97 16.301 13.378 -9.836 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.245 14.471 -11.936 1.00 0.00 H new ATOM 0 HB3 ARG A 97 15.517 14.186 -11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.034 16.495 -11.558 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.699 16.871 -11.159 1.00 0.00 H new ATOM 0 HD2 ARG A 97 16.092 15.674 -13.868 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.719 17.364 -13.595 1.00 0.00 H new ATOM 0 HE ARG A 97 18.458 16.547 -12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 97 16.346 17.734 -15.428 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.648 18.581 -16.270 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.124 17.710 -13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 97 19.773 18.567 -15.417 1.00 0.00 H new ATOM 1217 N SER A 98 17.785 15.670 -8.400 1.00 0.00 N ATOM 1218 CA SER A 98 19.011 16.077 -7.767 1.00 0.00 C ATOM 1219 C SER A 98 19.071 15.431 -6.384 1.00 0.00 C ATOM 1220 O SER A 98 19.834 15.848 -5.505 1.00 0.00 O ATOM 1221 CB SER A 98 19.056 17.611 -7.669 1.00 0.00 C ATOM 1222 OG SER A 98 20.321 18.078 -7.211 1.00 0.00 O ATOM 0 H SER A 98 16.944 16.072 -7.985 1.00 0.00 H new ATOM 0 HA SER A 98 19.874 15.756 -8.350 1.00 0.00 H new ATOM 0 HB2 SER A 98 18.842 18.043 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.275 17.954 -6.990 1.00 0.00 H new ATOM 0 HG SER A 98 20.623 17.523 -6.462 1.00 0.00 H new ATOM 1228 N CYS A 99 18.278 14.375 -6.220 1.00 0.00 N ATOM 1229 CA CYS A 99 18.165 13.688 -4.952 1.00 0.00 C ATOM 1230 C CYS A 99 19.364 12.780 -4.736 1.00 0.00 C ATOM 1231 O CYS A 99 20.237 12.673 -5.600 1.00 0.00 O ATOM 1232 CB CYS A 99 16.866 12.878 -4.910 1.00 0.00 C ATOM 1233 SG CYS A 99 16.414 12.257 -3.281 1.00 0.00 S ATOM 0 H CYS A 99 17.702 13.979 -6.963 1.00 0.00 H new ATOM 0 HA CYS A 99 18.143 14.427 -4.151 1.00 0.00 H new ATOM 0 HB2 CYS A 99 16.054 13.501 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 99 16.959 12.033 -5.592 1.00 0.00 H new ATOM 1238 N SER A 100 19.394 12.117 -3.595 1.00 0.00 N ATOM 1239 CA SER A 100 20.489 11.241 -3.244 1.00 0.00 C ATOM 1240 C SER A 100 20.567 10.046 -4.180 1.00 0.00 C ATOM 1241 O SER A 100 21.630 9.468 -4.378 1.00 0.00 O ATOM 1242 CB SER A 100 20.354 10.805 -1.803 1.00 0.00 C ATOM 1243 OG SER A 100 20.261 11.937 -0.955 1.00 0.00 O ATOM 0 H SER A 100 18.660 12.172 -2.889 1.00 0.00 H new ATOM 0 HA SER A 100 21.423 11.791 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 100 19.468 10.180 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.213 10.197 -1.517 1.00 0.00 H new ATOM 0 HG SER A 100 20.901 11.847 -0.218 1.00 0.00 H new ATOM 1249 N CYS A 101 19.442 9.670 -4.736 1.00 0.00 N ATOM 1250 CA CYS A 101 19.413 8.629 -5.730 1.00 0.00 C ATOM 1251 C CYS A 101 19.334 9.291 -7.076 1.00 0.00 C ATOM 1252 O CYS A 101 20.174 9.068 -7.957 1.00 0.00 O ATOM 1253 CB CYS A 101 18.173 7.744 -5.549 1.00 0.00 C ATOM 1254 SG CYS A 101 16.616 8.551 -6.044 1.00 0.00 S ATOM 0 H CYS A 101 18.531 10.072 -4.515 1.00 0.00 H new ATOM 0 HA CYS A 101 20.303 8.007 -5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 101 18.300 6.832 -6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 101 18.100 7.446 -4.503 1.00 0.00 H new ATOM 1259 N LYS A 102 18.326 10.163 -7.160 1.00 0.00 N ATOM 1260 CA LYS A 102 17.903 10.863 -8.302 1.00 0.00 C ATOM 1261 C LYS A 102 16.414 11.186 -8.242 1.00 0.00 C ATOM 1262 O LYS A 102 15.826 11.447 -9.340 1.00 0.00 O ATOM 1263 CB LYS A 102 18.138 10.121 -9.496 1.00 0.00 C ATOM 1264 CG LYS A 102 18.542 11.067 -10.491 1.00 0.00 C ATOM 1265 CD LYS A 102 18.512 10.530 -11.787 1.00 0.00 C ATOM 1266 CE LYS A 102 17.129 10.013 -12.190 1.00 0.00 C ATOM 1267 NZ LYS A 102 16.047 11.008 -11.945 1.00 0.00 N ATOM 0 H LYS A 102 17.759 10.393 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 102 18.486 11.784 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 102 18.911 9.369 -9.339 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.237 9.592 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.888 11.938 -10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.551 11.415 -10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 102 18.829 11.293 -12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.232 9.714 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.139 9.747 -13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.911 9.101 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.236 10.797 -12.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.749 10.959 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.400 11.964 -12.153 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 14.907 7.245 -7.992 1.00 0.00 CD HETATM 1283 CD CD A 202 12.665 7.612 -4.037 1.00 0.00 CD HETATM 1284 CD CD A 203 15.115 9.886 -4.199 1.00 0.00 CD HETATM 1285 CD CD A 204 7.357 18.330 -15.217 1.00 0.00 CD HETATM 1286 CD CD A 205 10.052 20.886 -13.326 1.00 0.00 CD HETATM 1287 CD CD A 206 10.733 19.527 -17.198 1.00 0.00 CD HETATM 1288 CD CD A 207 9.297 23.694 3.704 1.00 0.00 CD HETATM 1289 CD CD A 208 7.316 26.375 1.410 1.00 0.00 CD HETATM 1290 CD CD A 209 7.638 22.382 0.207 1.00 0.00 CD