USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot -140:sc= -0.177 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 177:sc= -0.0833 (180deg=-0.111) 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 33:sc= 0.297 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -144:sc= 0.0316 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.041) USER MOD Single : A 17 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.5) USER MOD Single : A 18 THR OG1 : rot -20:sc= 0.807 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= -0.664 X(o=-0.66,f=-0.25) USER MOD Single : A 30 THR OG1 : rot 138:sc= 1.3 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0.462 K(o=0.46,f=-0.95) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0882 USER MOD Single : A 39 LYS NZ :NH3+ 142:sc= 1.17 (180deg=-0.759) USER MOD Single : A 40 TYR OH : rot 99:sc= 0.581 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0158 (180deg=-0.169) USER MOD Single : A 50 GLN : amide:sc= -2.11! C(o=-2.1!,f=-3.5!) USER MOD Single : A 51 THR OG1 : rot 73:sc= 0.049 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc=-0.00706 (180deg=-0.158) USER MOD Single : A 68 GLN : amide:sc= -0.79 K(o=-0.79,f=-1.8) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 121:sc= -0.718! USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= -0.0444 (180deg=-0.227) USER MOD Single : A 80 SER OG : rot 94:sc= 0.777 USER MOD Single : A 82 LYS NZ :NH3+ 129:sc= 1.17 (180deg=-0.613) USER MOD Single : A 85 LYS NZ :NH3+ -115:sc= 0.845 (180deg=-0.577) USER MOD Single : A 88 THR OG1 : rot 13:sc= 0.865 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -144:sc= 0.116 (180deg=-0.357) USER MOD Single : A 98 SER OG : rot -117:sc= -0.214 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 161:sc= 0.589 (180deg=-0.0253) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.902 3.587 10.843 1.00 0.00 N ATOM 2 CA GLY A 1 9.502 4.991 11.152 1.00 0.00 C ATOM 3 C GLY A 1 10.429 6.006 10.516 1.00 0.00 C ATOM 4 O GLY A 1 10.412 7.189 10.874 1.00 0.00 O ATOM 0 H1 GLY A 1 9.269 2.928 11.341 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.834 3.424 9.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.881 3.428 11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.484 5.162 10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.495 5.135 12.232 1.00 0.00 H new ATOM 7 N SER A 2 11.243 5.545 9.579 1.00 0.00 N ATOM 8 CA SER A 2 12.173 6.405 8.885 1.00 0.00 C ATOM 9 C SER A 2 11.430 7.342 7.934 1.00 0.00 C ATOM 10 O SER A 2 11.011 6.942 6.846 1.00 0.00 O ATOM 11 CB SER A 2 13.191 5.562 8.121 1.00 0.00 C ATOM 12 OG SER A 2 13.813 4.619 8.984 1.00 0.00 O ATOM 0 H SER A 2 11.274 4.569 9.284 1.00 0.00 H new ATOM 0 HA SER A 2 12.702 7.015 9.618 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.697 5.041 7.301 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.947 6.210 7.677 1.00 0.00 H new ATOM 0 HG SER A 2 14.460 4.087 8.475 1.00 0.00 H new ATOM 18 N MET A 3 11.248 8.572 8.364 1.00 0.00 N ATOM 19 CA MET A 3 10.556 9.565 7.573 1.00 0.00 C ATOM 20 C MET A 3 11.447 10.774 7.360 1.00 0.00 C ATOM 21 O MET A 3 12.140 11.210 8.278 1.00 0.00 O ATOM 22 CB MET A 3 9.256 9.990 8.270 1.00 0.00 C ATOM 23 CG MET A 3 8.488 11.083 7.539 1.00 0.00 C ATOM 24 SD MET A 3 7.033 11.646 8.447 1.00 0.00 S ATOM 25 CE MET A 3 6.432 12.929 7.352 1.00 0.00 C ATOM 0 H MET A 3 11.575 8.911 9.269 1.00 0.00 H new ATOM 0 HA MET A 3 10.309 9.129 6.605 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.612 9.117 8.377 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.492 10.337 9.276 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.151 11.930 7.363 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.179 10.712 6.562 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.532 13.376 7.775 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.198 13.696 7.235 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.199 12.497 6.379 1.00 0.00 H new ATOM 35 N SER A 4 11.443 11.298 6.155 1.00 0.00 N ATOM 36 CA SER A 4 12.228 12.467 5.845 1.00 0.00 C ATOM 37 C SER A 4 11.559 13.719 6.413 1.00 0.00 C ATOM 38 O SER A 4 10.475 14.114 5.961 1.00 0.00 O ATOM 39 CB SER A 4 12.407 12.590 4.330 1.00 0.00 C ATOM 40 OG SER A 4 11.149 12.550 3.667 1.00 0.00 O ATOM 0 H SER A 4 10.902 10.930 5.372 1.00 0.00 H new ATOM 0 HA SER A 4 13.212 12.366 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.918 13.524 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.040 11.780 3.967 1.00 0.00 H new ATOM 0 HG SER A 4 10.467 12.965 4.235 1.00 0.00 H new ATOM 46 N SER A 5 12.181 14.312 7.418 1.00 0.00 N ATOM 47 CA SER A 5 11.670 15.523 8.024 1.00 0.00 C ATOM 48 C SER A 5 11.795 16.680 7.032 1.00 0.00 C ATOM 49 O SER A 5 12.866 17.272 6.868 1.00 0.00 O ATOM 50 CB SER A 5 12.422 15.816 9.319 1.00 0.00 C ATOM 51 OG SER A 5 12.356 14.700 10.197 1.00 0.00 O ATOM 0 H SER A 5 13.048 13.968 7.832 1.00 0.00 H new ATOM 0 HA SER A 5 10.616 15.396 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.463 16.050 9.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.994 16.694 9.804 1.00 0.00 H new ATOM 0 HG SER A 5 12.844 14.903 11.022 1.00 0.00 H new ATOM 57 N VAL A 6 10.694 16.976 6.370 1.00 0.00 N ATOM 58 CA VAL A 6 10.661 17.956 5.297 1.00 0.00 C ATOM 59 C VAL A 6 10.522 19.412 5.799 1.00 0.00 C ATOM 60 O VAL A 6 10.966 20.343 5.136 1.00 0.00 O ATOM 61 CB VAL A 6 9.522 17.612 4.296 1.00 0.00 C ATOM 62 CG1 VAL A 6 8.158 17.670 4.963 1.00 0.00 C ATOM 63 CG2 VAL A 6 9.568 18.508 3.077 1.00 0.00 C ATOM 0 H VAL A 6 9.791 16.542 6.561 1.00 0.00 H new ATOM 0 HA VAL A 6 11.625 17.900 4.792 1.00 0.00 H new ATOM 0 HB VAL A 6 9.684 16.587 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.386 17.424 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.124 16.954 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.985 18.674 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.758 18.241 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.455 19.547 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.524 18.382 2.569 1.00 0.00 H new ATOM 73 N PHE A 7 9.931 19.610 6.964 1.00 0.00 N ATOM 74 CA PHE A 7 9.746 20.971 7.463 1.00 0.00 C ATOM 75 C PHE A 7 10.876 21.378 8.378 1.00 0.00 C ATOM 76 O PHE A 7 11.474 20.539 9.060 1.00 0.00 O ATOM 77 CB PHE A 7 8.408 21.129 8.186 1.00 0.00 C ATOM 78 CG PHE A 7 7.246 20.603 7.398 1.00 0.00 C ATOM 79 CD1 PHE A 7 6.553 19.484 7.830 1.00 0.00 C ATOM 80 CD2 PHE A 7 6.855 21.215 6.219 1.00 0.00 C ATOM 81 CE1 PHE A 7 5.491 18.989 7.102 1.00 0.00 C ATOM 82 CE2 PHE A 7 5.793 20.724 5.488 1.00 0.00 C ATOM 83 CZ PHE A 7 5.109 19.609 5.929 1.00 0.00 C ATOM 0 H PHE A 7 9.578 18.871 7.572 1.00 0.00 H new ATOM 0 HA PHE A 7 9.746 21.629 6.594 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.455 20.609 9.143 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.243 22.184 8.405 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.847 18.994 8.746 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.387 22.087 5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 7 4.958 18.116 7.450 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.497 21.212 4.571 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.278 19.223 5.358 1.00 0.00 H new ATOM 93 N GLY A 8 11.165 22.659 8.384 1.00 0.00 N ATOM 94 CA GLY A 8 12.209 23.187 9.221 1.00 0.00 C ATOM 95 C GLY A 8 11.694 23.569 10.579 1.00 0.00 C ATOM 96 O GLY A 8 11.333 22.713 11.386 1.00 0.00 O ATOM 0 H GLY A 8 10.686 23.356 7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.000 22.445 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.653 24.059 8.742 1.00 0.00 H new ATOM 100 N ALA A 9 11.654 24.852 10.828 1.00 0.00 N ATOM 101 CA ALA A 9 11.155 25.382 12.078 1.00 0.00 C ATOM 102 C ALA A 9 10.277 26.588 11.811 1.00 0.00 C ATOM 103 O ALA A 9 9.302 26.829 12.512 1.00 0.00 O ATOM 104 CB ALA A 9 12.309 25.753 12.996 1.00 0.00 C ATOM 0 H ALA A 9 11.967 25.565 10.169 1.00 0.00 H new ATOM 0 HA ALA A 9 10.559 24.616 12.574 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.916 26.150 13.932 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.910 24.867 13.201 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.929 26.508 12.513 1.00 0.00 H new ATOM 110 N GLY A 10 10.621 27.338 10.779 1.00 0.00 N ATOM 111 CA GLY A 10 9.857 28.502 10.440 1.00 0.00 C ATOM 112 C GLY A 10 9.123 28.361 9.130 1.00 0.00 C ATOM 113 O GLY A 10 9.131 29.280 8.308 1.00 0.00 O ATOM 0 H GLY A 10 11.420 27.155 10.172 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.138 28.702 11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.522 29.364 10.387 1.00 0.00 H new ATOM 117 N CYS A 11 8.513 27.205 8.901 1.00 0.00 N ATOM 118 CA CYS A 11 7.712 27.024 7.716 1.00 0.00 C ATOM 119 C CYS A 11 6.340 27.615 7.938 1.00 0.00 C ATOM 120 O CYS A 11 5.874 27.713 9.080 1.00 0.00 O ATOM 121 CB CYS A 11 7.589 25.551 7.372 1.00 0.00 C ATOM 122 SG CYS A 11 9.162 24.746 7.075 1.00 0.00 S ATOM 0 H CYS A 11 8.561 26.393 9.517 1.00 0.00 H new ATOM 0 HA CYS A 11 8.199 27.533 6.884 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.077 25.039 8.186 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.964 25.445 6.485 1.00 0.00 H new ATOM 127 N THR A 12 5.704 28.023 6.874 1.00 0.00 N ATOM 128 CA THR A 12 4.383 28.571 6.969 1.00 0.00 C ATOM 129 C THR A 12 3.374 27.457 7.159 1.00 0.00 C ATOM 130 O THR A 12 3.691 26.273 6.969 1.00 0.00 O ATOM 131 CB THR A 12 4.018 29.353 5.700 1.00 0.00 C ATOM 132 OG1 THR A 12 4.055 28.474 4.569 1.00 0.00 O ATOM 133 CG2 THR A 12 4.981 30.499 5.486 1.00 0.00 C ATOM 0 H THR A 12 6.083 27.985 5.928 1.00 0.00 H new ATOM 0 HA THR A 12 4.363 29.248 7.823 1.00 0.00 H new ATOM 0 HB THR A 12 3.014 29.760 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.396 28.959 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.706 31.041 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.939 31.174 6.341 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.993 30.109 5.381 1.00 0.00 H new ATOM 141 N ASP A 13 2.166 27.820 7.519 1.00 0.00 N ATOM 142 CA ASP A 13 1.099 26.847 7.655 1.00 0.00 C ATOM 143 C ASP A 13 0.662 26.425 6.273 1.00 0.00 C ATOM 144 O ASP A 13 0.014 25.394 6.086 1.00 0.00 O ATOM 145 CB ASP A 13 -0.080 27.437 8.427 1.00 0.00 C ATOM 146 CG ASP A 13 0.317 27.922 9.802 1.00 0.00 C ATOM 147 OD1 ASP A 13 0.479 29.149 9.980 1.00 0.00 O ATOM 148 OD2 ASP A 13 0.478 27.081 10.709 1.00 0.00 O ATOM 0 H ASP A 13 1.893 28.781 7.724 1.00 0.00 H new ATOM 0 HA ASP A 13 1.460 25.984 8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.503 28.266 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.862 26.684 8.522 1.00 0.00 H new ATOM 153 N VAL A 14 1.055 27.235 5.307 1.00 0.00 N ATOM 154 CA VAL A 14 0.776 27.002 3.914 1.00 0.00 C ATOM 155 C VAL A 14 1.698 25.905 3.374 1.00 0.00 C ATOM 156 O VAL A 14 1.367 25.214 2.408 1.00 0.00 O ATOM 157 CB VAL A 14 0.979 28.304 3.103 1.00 0.00 C ATOM 158 CG1 VAL A 14 0.470 28.152 1.688 1.00 0.00 C ATOM 159 CG2 VAL A 14 0.296 29.474 3.793 1.00 0.00 C ATOM 0 H VAL A 14 1.587 28.088 5.479 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.261 26.681 3.812 1.00 0.00 H new ATOM 0 HB VAL A 14 2.049 28.505 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.626 29.083 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.010 27.346 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.594 27.917 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.449 30.381 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.772 29.273 3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.720 29.608 4.788 1.00 0.00 H new ATOM 169 N CYS A 15 2.852 25.736 4.023 1.00 0.00 N ATOM 170 CA CYS A 15 3.794 24.700 3.641 1.00 0.00 C ATOM 171 C CYS A 15 3.298 23.356 4.163 1.00 0.00 C ATOM 172 O CYS A 15 3.617 22.305 3.621 1.00 0.00 O ATOM 173 CB CYS A 15 5.198 25.016 4.192 1.00 0.00 C ATOM 174 SG CYS A 15 6.487 23.831 3.714 1.00 0.00 S ATOM 0 H CYS A 15 3.150 26.307 4.814 1.00 0.00 H new ATOM 0 HA CYS A 15 3.865 24.658 2.554 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.492 26.009 3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.146 25.055 5.280 1.00 0.00 H new ATOM 179 N LYS A 16 2.474 23.407 5.210 1.00 0.00 N ATOM 180 CA LYS A 16 1.906 22.197 5.791 1.00 0.00 C ATOM 181 C LYS A 16 0.672 21.767 5.003 1.00 0.00 C ATOM 182 O LYS A 16 -0.010 20.809 5.369 1.00 0.00 O ATOM 183 CB LYS A 16 1.538 22.412 7.265 1.00 0.00 C ATOM 184 CG LYS A 16 2.629 23.079 8.088 1.00 0.00 C ATOM 185 CD LYS A 16 3.917 22.258 8.141 1.00 0.00 C ATOM 186 CE LYS A 16 5.052 23.121 8.633 1.00 0.00 C ATOM 187 NZ LYS A 16 4.835 23.575 10.031 1.00 0.00 N ATOM 0 H LYS A 16 2.188 24.271 5.670 1.00 0.00 H new ATOM 0 HA LYS A 16 2.659 21.410 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.635 23.021 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.299 21.447 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.846 24.061 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.265 23.241 9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.786 21.401 8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.149 21.865 7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.986 22.562 8.573 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.158 23.988 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.698 24.035 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.046 24.253 10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.608 22.756 10.631 1.00 0.00 H new ATOM 201 N GLN A 17 0.385 22.496 3.924 1.00 0.00 N ATOM 202 CA GLN A 17 -0.731 22.156 3.047 1.00 0.00 C ATOM 203 C GLN A 17 -0.414 20.889 2.259 1.00 0.00 C ATOM 204 O GLN A 17 0.674 20.317 2.384 1.00 0.00 O ATOM 205 CB GLN A 17 -1.068 23.303 2.072 1.00 0.00 C ATOM 206 CG GLN A 17 -1.921 24.425 2.664 1.00 0.00 C ATOM 207 CD GLN A 17 -2.334 25.465 1.616 1.00 0.00 C ATOM 208 OE1 GLN A 17 -2.467 25.153 0.439 1.00 0.00 O ATOM 209 NE2 GLN A 17 -2.550 26.693 2.049 1.00 0.00 N ATOM 0 H GLN A 17 0.909 23.323 3.639 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.602 21.987 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.136 23.732 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.590 22.886 1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.815 23.997 3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.364 24.918 3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.429 26.914 3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.838 27.421 1.395 1.00 0.00 H new ATOM 218 N THR A 18 -1.351 20.461 1.451 1.00 0.00 N ATOM 219 CA THR A 18 -1.192 19.255 0.649 1.00 0.00 C ATOM 220 C THR A 18 -2.174 19.283 -0.522 1.00 0.00 C ATOM 221 O THR A 18 -3.373 19.054 -0.338 1.00 0.00 O ATOM 222 CB THR A 18 -1.419 17.963 1.489 1.00 0.00 C ATOM 223 OG1 THR A 18 -0.554 17.963 2.637 1.00 0.00 O ATOM 224 CG2 THR A 18 -1.139 16.718 0.653 1.00 0.00 C ATOM 0 H THR A 18 -2.247 20.931 1.324 1.00 0.00 H new ATOM 0 HA THR A 18 -0.167 19.236 0.279 1.00 0.00 H new ATOM 0 HB THR A 18 -2.460 17.948 1.812 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.189 18.584 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.304 15.828 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.808 16.700 -0.208 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.105 16.736 0.309 1.00 0.00 H new ATOM 232 N PRO A 19 -1.695 19.598 -1.739 1.00 0.00 N ATOM 233 CA PRO A 19 -0.275 19.898 -2.005 1.00 0.00 C ATOM 234 C PRO A 19 0.152 21.221 -1.385 1.00 0.00 C ATOM 235 O PRO A 19 -0.698 22.024 -0.981 1.00 0.00 O ATOM 236 CB PRO A 19 -0.210 19.986 -3.531 1.00 0.00 C ATOM 237 CG PRO A 19 -1.592 20.351 -3.947 1.00 0.00 C ATOM 238 CD PRO A 19 -2.514 19.702 -2.951 1.00 0.00 C ATOM 0 HA PRO A 19 0.389 19.146 -1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.512 20.736 -3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.098 19.037 -3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.724 21.433 -3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.800 19.999 -4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.407 20.303 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.849 18.723 -3.294 1.00 0.00 H new ATOM 246 N CYS A 20 1.459 21.441 -1.307 1.00 0.00 N ATOM 247 CA CYS A 20 2.000 22.647 -0.712 1.00 0.00 C ATOM 248 C CYS A 20 1.405 23.876 -1.363 1.00 0.00 C ATOM 249 O CYS A 20 1.428 24.027 -2.591 1.00 0.00 O ATOM 250 CB CYS A 20 3.516 22.679 -0.821 1.00 0.00 C ATOM 251 SG CYS A 20 4.260 24.137 -0.065 1.00 0.00 S ATOM 0 H CYS A 20 2.165 20.791 -1.653 1.00 0.00 H new ATOM 0 HA CYS A 20 1.733 22.645 0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.925 21.786 -0.349 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.798 22.641 -1.873 1.00 0.00 H new ATOM 256 N GLY A 21 0.885 24.754 -0.545 1.00 0.00 N ATOM 257 CA GLY A 21 0.219 25.911 -1.050 1.00 0.00 C ATOM 258 C GLY A 21 1.159 27.049 -1.381 1.00 0.00 C ATOM 259 O GLY A 21 0.781 27.964 -2.102 1.00 0.00 O ATOM 0 H GLY A 21 0.913 24.684 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.339 25.638 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.508 26.253 -0.314 1.00 0.00 H new ATOM 263 N CYS A 22 2.399 26.990 -0.886 1.00 0.00 N ATOM 264 CA CYS A 22 3.380 28.068 -1.132 1.00 0.00 C ATOM 265 C CYS A 22 3.613 28.284 -2.627 1.00 0.00 C ATOM 266 O CYS A 22 4.019 29.367 -3.051 1.00 0.00 O ATOM 267 CB CYS A 22 4.718 27.767 -0.454 1.00 0.00 C ATOM 268 SG CYS A 22 4.723 27.906 1.347 1.00 0.00 S ATOM 0 H CYS A 22 2.751 26.219 -0.318 1.00 0.00 H new ATOM 0 HA CYS A 22 2.959 28.978 -0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.024 26.756 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.470 28.446 -0.856 1.00 0.00 H new ATOM 273 N ALA A 23 3.336 27.262 -3.418 1.00 0.00 N ATOM 274 CA ALA A 23 3.543 27.333 -4.851 1.00 0.00 C ATOM 275 C ALA A 23 2.534 28.252 -5.539 1.00 0.00 C ATOM 276 O ALA A 23 2.822 28.818 -6.594 1.00 0.00 O ATOM 277 CB ALA A 23 3.505 25.940 -5.463 1.00 0.00 C ATOM 0 H ALA A 23 2.966 26.370 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 23 4.530 27.766 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.662 26.011 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.291 25.327 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.535 25.483 -5.267 1.00 0.00 H new ATOM 283 N THR A 24 1.364 28.414 -4.945 1.00 0.00 N ATOM 284 CA THR A 24 0.340 29.249 -5.549 1.00 0.00 C ATOM 285 C THR A 24 -0.092 30.388 -4.614 1.00 0.00 C ATOM 286 O THR A 24 -0.666 31.381 -5.057 1.00 0.00 O ATOM 287 CB THR A 24 -0.892 28.408 -5.983 1.00 0.00 C ATOM 288 OG1 THR A 24 -1.810 29.216 -6.729 1.00 0.00 O ATOM 289 CG2 THR A 24 -1.606 27.811 -4.775 1.00 0.00 C ATOM 0 H THR A 24 1.102 27.985 -4.058 1.00 0.00 H new ATOM 0 HA THR A 24 0.782 29.696 -6.440 1.00 0.00 H new ATOM 0 HB THR A 24 -0.531 27.594 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.580 28.673 -6.997 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.464 27.228 -5.111 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.919 27.164 -4.229 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.946 28.613 -4.120 1.00 0.00 H new ATOM 297 N SER A 25 0.200 30.242 -3.336 1.00 0.00 N ATOM 298 CA SER A 25 -0.170 31.243 -2.349 1.00 0.00 C ATOM 299 C SER A 25 1.001 32.168 -2.047 1.00 0.00 C ATOM 300 O SER A 25 0.813 33.325 -1.670 1.00 0.00 O ATOM 301 CB SER A 25 -0.651 30.555 -1.061 1.00 0.00 C ATOM 302 OG SER A 25 -0.986 31.498 -0.059 1.00 0.00 O ATOM 0 H SER A 25 0.695 29.436 -2.954 1.00 0.00 H new ATOM 0 HA SER A 25 -0.981 31.846 -2.757 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.519 29.934 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.129 29.891 -0.690 1.00 0.00 H new ATOM 0 HG SER A 25 -1.289 31.027 0.745 1.00 0.00 H new ATOM 308 N GLY A 26 2.206 31.663 -2.226 1.00 0.00 N ATOM 309 CA GLY A 26 3.374 32.443 -1.930 1.00 0.00 C ATOM 310 C GLY A 26 4.151 31.853 -0.782 1.00 0.00 C ATOM 311 O GLY A 26 3.564 31.318 0.162 1.00 0.00 O ATOM 0 H GLY A 26 2.393 30.722 -2.573 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.011 32.497 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.080 33.464 -1.686 1.00 0.00 H new ATOM 315 N CYS A 27 5.456 31.934 -0.864 1.00 0.00 N ATOM 316 CA CYS A 27 6.324 31.372 0.154 1.00 0.00 C ATOM 317 C CYS A 27 6.778 32.433 1.155 1.00 0.00 C ATOM 318 O CYS A 27 6.860 33.620 0.824 1.00 0.00 O ATOM 319 CB CYS A 27 7.537 30.717 -0.499 1.00 0.00 C ATOM 320 SG CYS A 27 8.724 30.041 0.674 1.00 0.00 S ATOM 0 H CYS A 27 5.950 32.388 -1.632 1.00 0.00 H new ATOM 0 HA CYS A 27 5.755 30.620 0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.195 29.917 -1.156 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.040 31.452 -1.127 1.00 0.00 H new ATOM 325 N ASN A 28 7.069 31.994 2.379 1.00 0.00 N ATOM 326 CA ASN A 28 7.537 32.886 3.441 1.00 0.00 C ATOM 327 C ASN A 28 8.331 32.080 4.492 1.00 0.00 C ATOM 328 O ASN A 28 8.591 32.548 5.597 1.00 0.00 O ATOM 329 CB ASN A 28 6.328 33.605 4.088 1.00 0.00 C ATOM 330 CG ASN A 28 6.717 34.713 5.064 1.00 0.00 C ATOM 331 OD1 ASN A 28 6.971 35.848 4.662 1.00 0.00 O ATOM 332 ND2 ASN A 28 6.732 34.396 6.348 1.00 0.00 N ATOM 0 H ASN A 28 6.988 31.017 2.662 1.00 0.00 H new ATOM 0 HA ASN A 28 8.201 33.641 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.706 34.030 3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.719 32.869 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.960 35.104 7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.515 33.443 6.641 1.00 0.00 H new ATOM 339 N CYS A 29 8.738 30.872 4.122 1.00 0.00 N ATOM 340 CA CYS A 29 9.461 29.991 5.037 1.00 0.00 C ATOM 341 C CYS A 29 10.872 30.478 5.316 1.00 0.00 C ATOM 342 O CYS A 29 11.410 31.337 4.605 1.00 0.00 O ATOM 343 CB CYS A 29 9.530 28.579 4.479 1.00 0.00 C ATOM 344 SG CYS A 29 7.940 27.776 4.323 1.00 0.00 S ATOM 0 H CYS A 29 8.581 30.478 3.194 1.00 0.00 H new ATOM 0 HA CYS A 29 8.905 29.997 5.975 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.007 28.610 3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.168 27.976 5.125 1.00 0.00 H new ATOM 349 N THR A 30 11.461 29.925 6.357 1.00 0.00 N ATOM 350 CA THR A 30 12.821 30.220 6.712 1.00 0.00 C ATOM 351 C THR A 30 13.743 29.201 6.055 1.00 0.00 C ATOM 352 O THR A 30 13.269 28.238 5.444 1.00 0.00 O ATOM 353 CB THR A 30 13.014 30.190 8.240 1.00 0.00 C ATOM 354 OG1 THR A 30 12.606 28.915 8.761 1.00 0.00 O ATOM 355 CG2 THR A 30 12.203 31.291 8.904 1.00 0.00 C ATOM 0 H THR A 30 11.003 29.258 6.978 1.00 0.00 H new ATOM 0 HA THR A 30 13.064 31.223 6.360 1.00 0.00 H new ATOM 0 HB THR A 30 14.070 30.351 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.247 28.619 9.441 1.00 0.00 H new ATOM 0 HG21 THR A 30 12.353 31.253 9.983 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.528 32.260 8.526 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.146 31.150 8.679 1.00 0.00 H new ATOM 363 N ASP A 31 15.045 29.387 6.190 1.00 0.00 N ATOM 364 CA ASP A 31 16.012 28.484 5.560 1.00 0.00 C ATOM 365 C ASP A 31 15.969 27.072 6.171 1.00 0.00 C ATOM 366 O ASP A 31 16.550 26.132 5.626 1.00 0.00 O ATOM 367 CB ASP A 31 17.427 29.060 5.639 1.00 0.00 C ATOM 368 CG ASP A 31 18.423 28.258 4.826 1.00 0.00 C ATOM 369 OD1 ASP A 31 18.293 28.227 3.579 1.00 0.00 O ATOM 370 OD2 ASP A 31 19.342 27.658 5.418 1.00 0.00 O ATOM 0 H ASP A 31 15.462 30.148 6.726 1.00 0.00 H new ATOM 0 HA ASP A 31 15.729 28.394 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.417 30.090 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.749 29.085 6.680 1.00 0.00 H new ATOM 375 N ASP A 32 15.257 26.924 7.289 1.00 0.00 N ATOM 376 CA ASP A 32 15.123 25.634 7.945 1.00 0.00 C ATOM 377 C ASP A 32 14.279 24.710 7.086 1.00 0.00 C ATOM 378 O ASP A 32 14.365 23.493 7.200 1.00 0.00 O ATOM 379 CB ASP A 32 14.452 25.792 9.315 1.00 0.00 C ATOM 380 CG ASP A 32 15.083 26.861 10.169 1.00 0.00 C ATOM 381 OD1 ASP A 32 15.992 26.546 10.958 1.00 0.00 O ATOM 382 OD2 ASP A 32 14.663 28.026 10.055 1.00 0.00 O ATOM 0 H ASP A 32 14.766 27.686 7.756 1.00 0.00 H new ATOM 0 HA ASP A 32 16.119 25.212 8.082 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.398 26.028 9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.496 24.841 9.845 1.00 0.00 H new ATOM 387 N CYS A 33 13.456 25.317 6.229 1.00 0.00 N ATOM 388 CA CYS A 33 12.576 24.588 5.325 1.00 0.00 C ATOM 389 C CYS A 33 13.370 23.620 4.458 1.00 0.00 C ATOM 390 O CYS A 33 14.448 23.955 3.970 1.00 0.00 O ATOM 391 CB CYS A 33 11.815 25.585 4.441 1.00 0.00 C ATOM 392 SG CYS A 33 10.819 24.837 3.132 1.00 0.00 S ATOM 0 H CYS A 33 13.384 26.331 6.145 1.00 0.00 H new ATOM 0 HA CYS A 33 11.867 24.009 5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 33 11.163 26.186 5.075 1.00 0.00 H new ATOM 0 HB3 CYS A 33 12.534 26.267 3.986 1.00 0.00 H new ATOM 397 N LYS A 34 12.850 22.417 4.290 1.00 0.00 N ATOM 398 CA LYS A 34 13.509 21.409 3.478 1.00 0.00 C ATOM 399 C LYS A 34 12.543 20.850 2.430 1.00 0.00 C ATOM 400 O LYS A 34 12.784 19.787 1.858 1.00 0.00 O ATOM 401 CB LYS A 34 14.029 20.274 4.371 1.00 0.00 C ATOM 402 CG LYS A 34 14.877 20.759 5.534 1.00 0.00 C ATOM 403 CD LYS A 34 15.329 19.616 6.421 1.00 0.00 C ATOM 404 CE LYS A 34 16.066 20.138 7.634 1.00 0.00 C ATOM 405 NZ LYS A 34 16.665 19.039 8.435 1.00 0.00 N ATOM 0 H LYS A 34 11.970 22.113 4.707 1.00 0.00 H new ATOM 0 HA LYS A 34 14.351 21.872 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.181 19.711 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.618 19.586 3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.750 21.288 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.306 21.474 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.465 19.032 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.977 18.946 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.851 20.824 7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.379 20.709 8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.161 19.439 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.914 18.398 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.340 18.509 7.847 1.00 0.00 H new ATOM 419 N CYS A 35 11.460 21.582 2.169 1.00 0.00 N ATOM 420 CA CYS A 35 10.454 21.131 1.221 1.00 0.00 C ATOM 421 C CYS A 35 10.907 21.355 -0.204 1.00 0.00 C ATOM 422 O CYS A 35 11.491 22.379 -0.525 1.00 0.00 O ATOM 423 CB CYS A 35 9.113 21.832 1.457 1.00 0.00 C ATOM 424 SG CYS A 35 7.805 21.312 0.308 1.00 0.00 S ATOM 0 H CYS A 35 11.262 22.485 2.601 1.00 0.00 H new ATOM 0 HA CYS A 35 10.319 20.061 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.786 21.637 2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.255 22.909 1.368 1.00 0.00 H new ATOM 429 N GLN A 36 10.626 20.397 -1.061 1.00 0.00 N ATOM 430 CA GLN A 36 11.012 20.496 -2.452 1.00 0.00 C ATOM 431 C GLN A 36 9.822 20.910 -3.314 1.00 0.00 C ATOM 432 O GLN A 36 9.885 20.867 -4.539 1.00 0.00 O ATOM 433 CB GLN A 36 11.592 19.171 -2.938 1.00 0.00 C ATOM 434 CG GLN A 36 12.824 18.729 -2.164 1.00 0.00 C ATOM 435 CD GLN A 36 13.451 17.482 -2.736 1.00 0.00 C ATOM 436 OE1 GLN A 36 14.318 17.553 -3.600 1.00 0.00 O ATOM 437 NE2 GLN A 36 13.017 16.336 -2.266 1.00 0.00 N ATOM 0 H GLN A 36 10.131 19.539 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 36 11.780 21.264 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 36 10.827 18.398 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 36 11.848 19.261 -3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 36 13.558 19.534 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 36 12.551 18.550 -1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.294 16.321 -1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.403 15.461 -2.620 1.00 0.00 H new ATOM 446 N SER A 37 8.742 21.318 -2.662 1.00 0.00 N ATOM 447 CA SER A 37 7.542 21.730 -3.367 1.00 0.00 C ATOM 448 C SER A 37 7.405 23.255 -3.423 1.00 0.00 C ATOM 449 O SER A 37 6.929 23.800 -4.419 1.00 0.00 O ATOM 450 CB SER A 37 6.304 21.111 -2.719 1.00 0.00 C ATOM 451 OG SER A 37 6.396 19.696 -2.704 1.00 0.00 O ATOM 0 H SER A 37 8.675 21.372 -1.646 1.00 0.00 H new ATOM 0 HA SER A 37 7.627 21.370 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.197 21.483 -1.700 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.411 21.416 -3.265 1.00 0.00 H new ATOM 0 HG SER A 37 5.594 19.321 -2.284 1.00 0.00 H new ATOM 457 N CYS A 38 7.831 23.955 -2.370 1.00 0.00 N ATOM 458 CA CYS A 38 7.695 25.406 -2.360 1.00 0.00 C ATOM 459 C CYS A 38 8.971 26.050 -2.839 1.00 0.00 C ATOM 460 O CYS A 38 9.006 27.231 -3.178 1.00 0.00 O ATOM 461 CB CYS A 38 7.325 25.916 -0.969 1.00 0.00 C ATOM 462 SG CYS A 38 8.599 25.708 0.281 1.00 0.00 S ATOM 0 H CYS A 38 8.261 23.552 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 38 6.887 25.678 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.077 26.975 -1.041 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.424 25.400 -0.637 1.00 0.00 H new ATOM 467 N LYS A 39 10.013 25.254 -2.893 1.00 0.00 N ATOM 468 CA LYS A 39 11.307 25.705 -3.331 1.00 0.00 C ATOM 469 C LYS A 39 11.497 25.442 -4.818 1.00 0.00 C ATOM 470 O LYS A 39 12.614 25.226 -5.292 1.00 0.00 O ATOM 471 CB LYS A 39 12.371 25.019 -2.511 1.00 0.00 C ATOM 472 CG LYS A 39 12.414 25.523 -1.089 1.00 0.00 C ATOM 473 CD LYS A 39 13.372 24.723 -0.266 1.00 0.00 C ATOM 474 CE LYS A 39 13.738 25.448 1.008 1.00 0.00 C ATOM 475 NZ LYS A 39 15.004 24.939 1.588 1.00 0.00 N ATOM 0 H LYS A 39 9.983 24.268 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 39 11.386 26.782 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.187 23.945 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.343 25.175 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.709 26.572 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.418 25.468 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.928 23.758 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.273 24.523 -0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.835 26.514 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.934 25.334 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.548 25.732 1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.790 24.255 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.563 24.472 0.846 1.00 0.00 H new ATOM 489 N TYR A 40 10.387 25.482 -5.547 1.00 0.00 N ATOM 490 CA TYR A 40 10.389 25.278 -6.985 1.00 0.00 C ATOM 491 C TYR A 40 11.112 26.428 -7.686 1.00 0.00 C ATOM 492 O TYR A 40 11.435 27.443 -7.067 1.00 0.00 O ATOM 493 CB TYR A 40 8.946 25.128 -7.520 1.00 0.00 C ATOM 494 CG TYR A 40 8.061 26.356 -7.342 1.00 0.00 C ATOM 495 CD1 TYR A 40 7.658 27.111 -8.438 1.00 0.00 C ATOM 496 CD2 TYR A 40 7.630 26.755 -6.083 1.00 0.00 C ATOM 497 CE1 TYR A 40 6.853 28.226 -8.282 1.00 0.00 C ATOM 498 CE2 TYR A 40 6.828 27.866 -5.919 1.00 0.00 C ATOM 499 CZ TYR A 40 6.441 28.597 -7.020 1.00 0.00 C ATOM 500 OH TYR A 40 5.636 29.710 -6.856 1.00 0.00 O ATOM 0 H TYR A 40 9.462 25.657 -5.154 1.00 0.00 H new ATOM 0 HA TYR A 40 10.925 24.354 -7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.992 24.883 -8.581 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.475 24.283 -7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.979 26.822 -9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.928 26.185 -5.216 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.550 28.802 -9.144 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.505 28.161 -4.931 1.00 0.00 H new ATOM 0 HH TYR A 40 4.702 29.428 -6.769 1.00 0.00 H new ATOM 510 N GLY A 41 11.365 26.267 -8.967 1.00 0.00 N ATOM 511 CA GLY A 41 12.093 27.276 -9.705 1.00 0.00 C ATOM 512 C GLY A 41 13.527 26.873 -9.884 1.00 0.00 C ATOM 513 O GLY A 41 14.053 26.907 -10.984 1.00 0.00 O ATOM 0 H GLY A 41 11.080 25.455 -9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.628 27.427 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.041 28.228 -9.177 1.00 0.00 H new ATOM 517 N ALA A 42 14.146 26.436 -8.796 1.00 0.00 N ATOM 518 CA ALA A 42 15.524 25.966 -8.823 1.00 0.00 C ATOM 519 C ALA A 42 15.555 24.497 -9.218 1.00 0.00 C ATOM 520 O ALA A 42 16.570 23.819 -9.093 1.00 0.00 O ATOM 521 CB ALA A 42 16.177 26.164 -7.463 1.00 0.00 C ATOM 0 H ALA A 42 13.710 26.397 -7.875 1.00 0.00 H new ATOM 0 HA ALA A 42 16.084 26.544 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 42 17.207 25.808 -7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 42 16.168 27.223 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.625 25.603 -6.709 1.00 0.00 H new ATOM 527 N GLY A 43 14.436 24.029 -9.720 1.00 0.00 N ATOM 528 CA GLY A 43 14.306 22.657 -10.108 1.00 0.00 C ATOM 529 C GLY A 43 13.232 22.440 -11.148 1.00 0.00 C ATOM 530 O GLY A 43 12.934 21.318 -11.488 1.00 0.00 O ATOM 0 H GLY A 43 13.598 24.591 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.260 22.303 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.079 22.056 -9.228 1.00 0.00 H new ATOM 534 N CYS A 44 12.684 23.514 -11.688 1.00 0.00 N ATOM 535 CA CYS A 44 11.582 23.388 -12.636 1.00 0.00 C ATOM 536 C CYS A 44 11.659 24.403 -13.749 1.00 0.00 C ATOM 537 O CYS A 44 12.610 25.185 -13.845 1.00 0.00 O ATOM 538 CB CYS A 44 10.228 23.523 -11.928 1.00 0.00 C ATOM 539 SG CYS A 44 9.535 21.973 -11.328 1.00 0.00 S ATOM 0 H CYS A 44 12.976 24.472 -11.493 1.00 0.00 H new ATOM 0 HA CYS A 44 11.672 22.394 -13.074 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.340 24.205 -11.085 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.517 23.981 -12.616 1.00 0.00 H new ATOM 544 N THR A 45 10.653 24.366 -14.586 1.00 0.00 N ATOM 545 CA THR A 45 10.500 25.271 -15.679 1.00 0.00 C ATOM 546 C THR A 45 9.016 25.500 -15.910 1.00 0.00 C ATOM 547 O THR A 45 8.173 24.775 -15.358 1.00 0.00 O ATOM 548 CB THR A 45 11.147 24.713 -16.975 1.00 0.00 C ATOM 549 OG1 THR A 45 11.004 25.655 -18.042 1.00 0.00 O ATOM 550 CG2 THR A 45 10.500 23.399 -17.382 1.00 0.00 C ATOM 0 H THR A 45 9.900 23.682 -14.517 1.00 0.00 H new ATOM 0 HA THR A 45 11.003 26.207 -15.434 1.00 0.00 H new ATOM 0 HB THR A 45 12.204 24.541 -16.774 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.796 25.179 -18.873 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.971 23.028 -18.293 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.628 22.668 -16.584 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.437 23.557 -17.562 1.00 0.00 H new ATOM 558 N ASP A 46 8.698 26.471 -16.726 1.00 0.00 N ATOM 559 CA ASP A 46 7.310 26.791 -17.036 1.00 0.00 C ATOM 560 C ASP A 46 6.677 25.666 -17.847 1.00 0.00 C ATOM 561 O ASP A 46 5.460 25.499 -17.863 1.00 0.00 O ATOM 562 CB ASP A 46 7.225 28.107 -17.819 1.00 0.00 C ATOM 563 CG ASP A 46 7.859 28.013 -19.197 1.00 0.00 C ATOM 564 OD1 ASP A 46 9.087 28.207 -19.308 1.00 0.00 O ATOM 565 OD2 ASP A 46 7.133 27.745 -20.176 1.00 0.00 O ATOM 0 H ASP A 46 9.381 27.064 -17.197 1.00 0.00 H new ATOM 0 HA ASP A 46 6.766 26.903 -16.098 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.179 28.395 -17.924 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.718 28.896 -17.250 1.00 0.00 H new ATOM 570 N THR A 47 7.521 24.886 -18.491 1.00 0.00 N ATOM 571 CA THR A 47 7.086 23.803 -19.341 1.00 0.00 C ATOM 572 C THR A 47 6.653 22.564 -18.523 1.00 0.00 C ATOM 573 O THR A 47 5.931 21.701 -19.020 1.00 0.00 O ATOM 574 CB THR A 47 8.218 23.427 -20.311 1.00 0.00 C ATOM 575 OG1 THR A 47 8.852 24.632 -20.769 1.00 0.00 O ATOM 576 CG2 THR A 47 7.679 22.669 -21.508 1.00 0.00 C ATOM 0 H THR A 47 8.534 24.989 -18.437 1.00 0.00 H new ATOM 0 HA THR A 47 6.215 24.143 -19.901 1.00 0.00 H new ATOM 0 HB THR A 47 8.930 22.788 -19.788 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.578 24.405 -21.388 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.500 22.415 -22.178 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.191 21.755 -21.170 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.958 23.291 -22.038 1.00 0.00 H new ATOM 584 N CYS A 48 7.065 22.498 -17.268 1.00 0.00 N ATOM 585 CA CYS A 48 6.721 21.357 -16.424 1.00 0.00 C ATOM 586 C CYS A 48 5.374 21.575 -15.727 1.00 0.00 C ATOM 587 O CYS A 48 4.581 20.645 -15.567 1.00 0.00 O ATOM 588 CB CYS A 48 7.827 21.103 -15.388 1.00 0.00 C ATOM 589 SG CYS A 48 7.535 19.681 -14.299 1.00 0.00 S ATOM 0 H CYS A 48 7.633 23.211 -16.811 1.00 0.00 H new ATOM 0 HA CYS A 48 6.633 20.478 -17.063 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.770 20.953 -15.913 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.942 21.996 -14.774 1.00 0.00 H new ATOM 594 N LYS A 49 5.101 22.817 -15.354 1.00 0.00 N ATOM 595 CA LYS A 49 3.875 23.161 -14.628 1.00 0.00 C ATOM 596 C LYS A 49 2.664 23.282 -15.559 1.00 0.00 C ATOM 597 O LYS A 49 1.580 23.679 -15.127 1.00 0.00 O ATOM 598 CB LYS A 49 4.070 24.477 -13.890 1.00 0.00 C ATOM 599 CG LYS A 49 4.367 25.643 -14.818 1.00 0.00 C ATOM 600 CD LYS A 49 4.579 26.930 -14.054 1.00 0.00 C ATOM 601 CE LYS A 49 3.300 27.403 -13.367 1.00 0.00 C ATOM 602 NZ LYS A 49 2.246 27.779 -14.344 1.00 0.00 N ATOM 0 H LYS A 49 5.713 23.612 -15.541 1.00 0.00 H new ATOM 0 HA LYS A 49 3.676 22.353 -13.924 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.172 24.699 -13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.888 24.370 -13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.256 25.420 -15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.542 25.768 -15.519 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.359 26.784 -13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.932 27.703 -14.737 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.925 26.613 -12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.526 28.259 -12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.487 28.295 -13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.657 28.385 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.855 26.920 -14.780 1.00 0.00 H new ATOM 616 N GLN A 50 2.845 22.937 -16.823 1.00 0.00 N ATOM 617 CA GLN A 50 1.773 23.056 -17.811 1.00 0.00 C ATOM 618 C GLN A 50 0.570 22.195 -17.446 1.00 0.00 C ATOM 619 O GLN A 50 -0.567 22.573 -17.711 1.00 0.00 O ATOM 620 CB GLN A 50 2.283 22.697 -19.189 1.00 0.00 C ATOM 621 CG GLN A 50 3.495 23.502 -19.592 1.00 0.00 C ATOM 622 CD GLN A 50 3.732 23.511 -21.075 1.00 0.00 C ATOM 623 OE1 GLN A 50 3.374 22.573 -21.777 1.00 0.00 O ATOM 624 NE2 GLN A 50 4.349 24.555 -21.560 1.00 0.00 N ATOM 0 H GLN A 50 3.722 22.572 -17.194 1.00 0.00 H new ATOM 0 HA GLN A 50 1.443 24.095 -17.816 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.532 21.636 -19.214 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.488 22.855 -19.918 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.374 24.528 -19.244 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.375 23.097 -19.092 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.630 25.315 -20.940 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.550 24.611 -22.559 1.00 0.00 H new ATOM 633 N THR A 51 0.840 21.047 -16.825 1.00 0.00 N ATOM 634 CA THR A 51 -0.201 20.114 -16.382 1.00 0.00 C ATOM 635 C THR A 51 -0.819 19.352 -17.570 1.00 0.00 C ATOM 636 O THR A 51 -1.597 19.908 -18.348 1.00 0.00 O ATOM 637 CB THR A 51 -1.310 20.829 -15.571 1.00 0.00 C ATOM 638 OG1 THR A 51 -0.707 21.630 -14.540 1.00 0.00 O ATOM 639 CG2 THR A 51 -2.249 19.813 -14.934 1.00 0.00 C ATOM 0 H THR A 51 1.788 20.735 -16.614 1.00 0.00 H new ATOM 0 HA THR A 51 0.286 19.393 -15.725 1.00 0.00 H new ATOM 0 HB THR A 51 -1.884 21.462 -16.248 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.293 22.422 -14.941 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.021 20.335 -14.369 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.715 19.210 -15.713 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.684 19.166 -14.264 1.00 0.00 H new ATOM 647 N PRO A 52 -0.475 18.058 -17.726 1.00 0.00 N ATOM 648 CA PRO A 52 0.424 17.344 -16.807 1.00 0.00 C ATOM 649 C PRO A 52 1.857 17.852 -16.905 1.00 0.00 C ATOM 650 O PRO A 52 2.443 18.284 -15.913 1.00 0.00 O ATOM 651 CB PRO A 52 0.344 15.877 -17.284 1.00 0.00 C ATOM 652 CG PRO A 52 -0.824 15.828 -18.214 1.00 0.00 C ATOM 653 CD PRO A 52 -0.925 17.195 -18.817 1.00 0.00 C ATOM 0 HA PRO A 52 0.134 17.480 -15.765 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.262 15.577 -17.789 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.206 15.197 -16.443 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.678 15.071 -18.984 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.738 15.568 -17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.295 17.296 -19.700 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.944 17.428 -19.124 1.00 0.00 H new ATOM 661 N CYS A 53 2.399 17.825 -18.105 1.00 0.00 N ATOM 662 CA CYS A 53 3.750 18.270 -18.342 1.00 0.00 C ATOM 663 C CYS A 53 3.971 18.487 -19.830 1.00 0.00 C ATOM 664 O CYS A 53 3.527 17.678 -20.653 1.00 0.00 O ATOM 665 CB CYS A 53 4.726 17.225 -17.824 1.00 0.00 C ATOM 666 SG CYS A 53 6.447 17.752 -17.831 1.00 0.00 S ATOM 0 H CYS A 53 1.914 17.494 -18.939 1.00 0.00 H new ATOM 0 HA CYS A 53 3.915 19.212 -17.819 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.445 16.955 -16.806 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.631 16.324 -18.430 1.00 0.00 H new ATOM 671 N GLY A 54 4.635 19.578 -20.181 1.00 0.00 N ATOM 672 CA GLY A 54 4.912 19.847 -21.570 1.00 0.00 C ATOM 673 C GLY A 54 6.370 19.637 -21.927 1.00 0.00 C ATOM 674 O GLY A 54 6.767 19.853 -23.071 1.00 0.00 O ATOM 0 H GLY A 54 4.985 20.279 -19.528 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.293 19.200 -22.192 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.630 20.874 -21.800 1.00 0.00 H new ATOM 678 N CYS A 55 7.178 19.228 -20.949 1.00 0.00 N ATOM 679 CA CYS A 55 8.589 18.995 -21.187 1.00 0.00 C ATOM 680 C CYS A 55 8.799 17.768 -22.070 1.00 0.00 C ATOM 681 O CYS A 55 9.073 17.894 -23.263 1.00 0.00 O ATOM 682 CB CYS A 55 9.338 18.820 -19.868 1.00 0.00 C ATOM 683 SG CYS A 55 9.541 20.321 -18.888 1.00 0.00 S ATOM 0 H CYS A 55 6.875 19.054 -19.991 1.00 0.00 H new ATOM 0 HA CYS A 55 8.987 19.868 -21.705 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.810 18.081 -19.265 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.325 18.410 -20.082 1.00 0.00 H new ATOM 688 N GLY A 56 8.636 16.588 -21.486 1.00 0.00 N ATOM 689 CA GLY A 56 8.857 15.351 -22.218 1.00 0.00 C ATOM 690 C GLY A 56 10.283 15.241 -22.728 1.00 0.00 C ATOM 691 O GLY A 56 11.220 15.049 -21.945 1.00 0.00 O ATOM 0 H GLY A 56 8.353 16.463 -20.514 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.637 14.502 -21.571 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.166 15.299 -23.059 1.00 0.00 H new ATOM 695 N SER A 57 10.450 15.380 -24.034 1.00 0.00 N ATOM 696 CA SER A 57 11.767 15.329 -24.649 1.00 0.00 C ATOM 697 C SER A 57 12.343 16.738 -24.777 1.00 0.00 C ATOM 698 O SER A 57 13.511 16.921 -25.124 1.00 0.00 O ATOM 699 CB SER A 57 11.683 14.663 -26.019 1.00 0.00 C ATOM 700 OG SER A 57 11.059 13.390 -25.924 1.00 0.00 O ATOM 0 H SER A 57 9.685 15.530 -24.692 1.00 0.00 H new ATOM 0 HA SER A 57 12.429 14.738 -24.015 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.121 15.298 -26.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.684 14.552 -26.436 1.00 0.00 H new ATOM 0 HG SER A 57 11.014 12.981 -26.813 1.00 0.00 H new ATOM 706 N GLY A 58 11.515 17.720 -24.475 1.00 0.00 N ATOM 707 CA GLY A 58 11.922 19.103 -24.543 1.00 0.00 C ATOM 708 C GLY A 58 11.855 19.731 -23.185 1.00 0.00 C ATOM 709 O GLY A 58 11.021 20.602 -22.928 1.00 0.00 O ATOM 0 H GLY A 58 10.549 17.579 -24.178 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.937 19.172 -24.933 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.277 19.646 -25.234 1.00 0.00 H new ATOM 713 N CYS A 59 12.719 19.275 -22.316 1.00 0.00 N ATOM 714 CA CYS A 59 12.747 19.717 -20.946 1.00 0.00 C ATOM 715 C CYS A 59 13.662 20.920 -20.763 1.00 0.00 C ATOM 716 O CYS A 59 14.728 21.007 -21.379 1.00 0.00 O ATOM 717 CB CYS A 59 13.190 18.563 -20.058 1.00 0.00 C ATOM 718 SG CYS A 59 13.636 19.036 -18.384 1.00 0.00 S ATOM 0 H CYS A 59 13.430 18.579 -22.542 1.00 0.00 H new ATOM 0 HA CYS A 59 11.744 20.033 -20.661 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.386 17.828 -20.012 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.045 18.072 -20.523 1.00 0.00 H new ATOM 723 N ASN A 60 13.238 21.845 -19.916 1.00 0.00 N ATOM 724 CA ASN A 60 14.010 23.049 -19.643 1.00 0.00 C ATOM 725 C ASN A 60 14.068 23.323 -18.152 1.00 0.00 C ATOM 726 O ASN A 60 14.195 24.473 -17.727 1.00 0.00 O ATOM 727 CB ASN A 60 13.413 24.261 -20.373 1.00 0.00 C ATOM 728 CG ASN A 60 13.562 24.175 -21.877 1.00 0.00 C ATOM 729 OD1 ASN A 60 12.674 23.679 -22.576 1.00 0.00 O ATOM 730 ND2 ASN A 60 14.685 24.646 -22.388 1.00 0.00 N ATOM 0 H ASN A 60 12.359 21.785 -19.403 1.00 0.00 H new ATOM 0 HA ASN A 60 15.023 22.885 -20.011 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.356 24.345 -20.122 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.899 25.169 -20.016 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.843 24.607 -23.395 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.395 25.048 -21.776 1.00 0.00 H new ATOM 737 N CYS A 61 13.967 22.271 -17.355 1.00 0.00 N ATOM 738 CA CYS A 61 14.034 22.407 -15.907 1.00 0.00 C ATOM 739 C CYS A 61 15.463 22.642 -15.443 1.00 0.00 C ATOM 740 O CYS A 61 16.383 22.758 -16.252 1.00 0.00 O ATOM 741 CB CYS A 61 13.466 21.171 -15.215 1.00 0.00 C ATOM 742 SG CYS A 61 11.674 21.096 -15.206 1.00 0.00 S ATOM 0 H CYS A 61 13.838 21.314 -17.685 1.00 0.00 H new ATOM 0 HA CYS A 61 13.431 23.273 -15.634 1.00 0.00 H new ATOM 0 HB2 CYS A 61 13.854 20.280 -15.709 1.00 0.00 H new ATOM 0 HB3 CYS A 61 13.825 21.146 -14.186 1.00 0.00 H new ATOM 747 N LYS A 62 15.644 22.702 -14.138 1.00 0.00 N ATOM 748 CA LYS A 62 16.957 22.928 -13.576 1.00 0.00 C ATOM 749 C LYS A 62 17.597 21.598 -13.221 1.00 0.00 C ATOM 750 O LYS A 62 18.423 21.079 -13.968 1.00 0.00 O ATOM 751 CB LYS A 62 16.872 23.822 -12.335 1.00 0.00 C ATOM 752 CG LYS A 62 16.206 25.174 -12.570 1.00 0.00 C ATOM 753 CD LYS A 62 17.190 26.328 -12.396 1.00 0.00 C ATOM 754 CE LYS A 62 18.239 26.330 -13.480 1.00 0.00 C ATOM 755 NZ LYS A 62 17.665 26.668 -14.806 1.00 0.00 N ATOM 0 H LYS A 62 14.898 22.597 -13.450 1.00 0.00 H new ATOM 0 HA LYS A 62 17.571 23.437 -14.319 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.322 23.291 -11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.880 23.989 -11.954 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.786 25.203 -13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.376 25.296 -11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.649 27.274 -12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.673 26.252 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.019 27.048 -13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.712 25.349 -13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.434 26.875 -15.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.107 25.864 -15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.051 27.503 -14.716 1.00 0.00 H new ATOM 769 N GLU A 63 17.172 21.028 -12.097 1.00 0.00 N ATOM 770 CA GLU A 63 17.698 19.753 -11.638 1.00 0.00 C ATOM 771 C GLU A 63 16.867 19.231 -10.466 1.00 0.00 C ATOM 772 O GLU A 63 16.594 18.055 -10.370 1.00 0.00 O ATOM 773 CB GLU A 63 19.167 19.900 -11.230 1.00 0.00 C ATOM 774 CG GLU A 63 19.957 18.605 -11.286 1.00 0.00 C ATOM 775 CD GLU A 63 21.423 18.811 -10.976 1.00 0.00 C ATOM 776 OE1 GLU A 63 21.942 18.131 -10.070 1.00 0.00 O ATOM 777 OE2 GLU A 63 22.061 19.670 -11.622 1.00 0.00 O ATOM 0 H GLU A 63 16.462 21.434 -11.487 1.00 0.00 H new ATOM 0 HA GLU A 63 17.637 19.034 -12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 63 19.643 20.632 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 63 19.214 20.298 -10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 63 19.535 17.894 -10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 63 19.856 18.164 -12.278 1.00 0.00 H new ATOM 784 N ASP A 64 16.442 20.136 -9.601 1.00 0.00 N ATOM 785 CA ASP A 64 15.639 19.802 -8.424 1.00 0.00 C ATOM 786 C ASP A 64 14.170 19.569 -8.791 1.00 0.00 C ATOM 787 O ASP A 64 13.268 20.107 -8.155 1.00 0.00 O ATOM 788 CB ASP A 64 15.745 20.940 -7.402 1.00 0.00 C ATOM 789 CG ASP A 64 17.030 20.902 -6.604 1.00 0.00 C ATOM 790 OD1 ASP A 64 17.052 20.277 -5.520 1.00 0.00 O ATOM 791 OD2 ASP A 64 18.034 21.490 -7.056 1.00 0.00 O ATOM 0 H ASP A 64 16.643 21.132 -9.691 1.00 0.00 H new ATOM 0 HA ASP A 64 16.025 18.876 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.675 21.895 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.898 20.887 -6.718 1.00 0.00 H new ATOM 796 N CYS A 65 13.943 18.771 -9.814 1.00 0.00 N ATOM 797 CA CYS A 65 12.591 18.470 -10.260 1.00 0.00 C ATOM 798 C CYS A 65 12.092 17.188 -9.609 1.00 0.00 C ATOM 799 O CYS A 65 12.870 16.259 -9.373 1.00 0.00 O ATOM 800 CB CYS A 65 12.536 18.344 -11.791 1.00 0.00 C ATOM 801 SG CYS A 65 10.876 18.038 -12.460 1.00 0.00 S ATOM 0 H CYS A 65 14.677 18.316 -10.356 1.00 0.00 H new ATOM 0 HA CYS A 65 11.942 19.293 -9.960 1.00 0.00 H new ATOM 0 HB2 CYS A 65 12.929 19.259 -12.233 1.00 0.00 H new ATOM 0 HB3 CYS A 65 13.194 17.532 -12.100 1.00 0.00 H new ATOM 806 N ARG A 66 10.802 17.146 -9.317 1.00 0.00 N ATOM 807 CA ARG A 66 10.184 15.980 -8.699 1.00 0.00 C ATOM 808 C ARG A 66 9.327 15.235 -9.692 1.00 0.00 C ATOM 809 O ARG A 66 8.493 14.411 -9.310 1.00 0.00 O ATOM 810 CB ARG A 66 9.316 16.389 -7.524 1.00 0.00 C ATOM 811 CG ARG A 66 10.077 16.778 -6.290 1.00 0.00 C ATOM 812 CD ARG A 66 9.124 17.064 -5.159 1.00 0.00 C ATOM 813 NE ARG A 66 9.474 16.317 -3.948 1.00 0.00 N ATOM 814 CZ ARG A 66 8.796 16.383 -2.804 1.00 0.00 C ATOM 815 NH1 ARG A 66 7.740 17.174 -2.703 1.00 0.00 N ATOM 816 NH2 ARG A 66 9.171 15.649 -1.764 1.00 0.00 N ATOM 0 H ARG A 66 10.155 17.914 -9.500 1.00 0.00 H new ATOM 0 HA ARG A 66 10.989 15.332 -8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.689 17.227 -7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.648 15.563 -7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.759 15.976 -6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.687 17.658 -6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.129 18.132 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.110 16.806 -5.464 1.00 0.00 H new ATOM 0 HE ARG A 66 10.290 15.707 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.444 17.734 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.222 17.223 -1.826 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.980 15.033 -1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.650 15.701 -0.889 1.00 0.00 H new ATOM 830 N CYS A 67 9.512 15.525 -10.951 1.00 0.00 N ATOM 831 CA CYS A 67 8.735 14.889 -11.975 1.00 0.00 C ATOM 832 C CYS A 67 9.517 13.773 -12.642 1.00 0.00 C ATOM 833 O CYS A 67 10.736 13.758 -12.601 1.00 0.00 O ATOM 834 CB CYS A 67 8.293 15.893 -13.002 1.00 0.00 C ATOM 835 SG CYS A 67 7.204 15.188 -14.221 1.00 0.00 S ATOM 0 H CYS A 67 10.197 16.200 -11.291 1.00 0.00 H new ATOM 0 HA CYS A 67 7.854 14.455 -11.503 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.788 16.720 -12.503 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.169 16.309 -13.499 1.00 0.00 H new ATOM 840 N GLN A 68 8.800 12.836 -13.257 1.00 0.00 N ATOM 841 CA GLN A 68 9.428 11.690 -13.914 1.00 0.00 C ATOM 842 C GLN A 68 9.131 11.704 -15.397 1.00 0.00 C ATOM 843 O GLN A 68 9.656 10.891 -16.157 1.00 0.00 O ATOM 844 CB GLN A 68 8.893 10.391 -13.315 1.00 0.00 C ATOM 845 CG GLN A 68 8.481 10.529 -11.875 1.00 0.00 C ATOM 846 CD GLN A 68 9.607 11.020 -11.006 1.00 0.00 C ATOM 847 OE1 GLN A 68 10.777 10.737 -11.258 1.00 0.00 O ATOM 848 NE2 GLN A 68 9.272 11.772 -9.992 1.00 0.00 N ATOM 0 H GLN A 68 7.782 12.847 -13.315 1.00 0.00 H new ATOM 0 HA GLN A 68 10.505 11.754 -13.760 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.038 10.054 -13.900 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.658 9.619 -13.395 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.641 11.220 -11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.132 9.565 -11.505 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.290 11.984 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.993 12.147 -9.375 1.00 0.00 H new ATOM 857 N SER A 69 8.298 12.634 -15.807 1.00 0.00 N ATOM 858 CA SER A 69 7.874 12.718 -17.185 1.00 0.00 C ATOM 859 C SER A 69 8.963 13.353 -18.033 1.00 0.00 C ATOM 860 O SER A 69 9.111 13.042 -19.215 1.00 0.00 O ATOM 861 CB SER A 69 6.570 13.522 -17.286 1.00 0.00 C ATOM 862 OG SER A 69 5.975 13.388 -18.563 1.00 0.00 O ATOM 0 H SER A 69 7.898 13.349 -15.199 1.00 0.00 H new ATOM 0 HA SER A 69 7.691 11.712 -17.561 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.872 13.182 -16.521 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.774 14.574 -17.087 1.00 0.00 H new ATOM 0 HG SER A 69 5.146 13.910 -18.594 1.00 0.00 H new ATOM 868 N CYS A 70 9.739 14.225 -17.424 1.00 0.00 N ATOM 869 CA CYS A 70 10.789 14.899 -18.140 1.00 0.00 C ATOM 870 C CYS A 70 12.175 14.557 -17.595 1.00 0.00 C ATOM 871 O CYS A 70 13.175 14.671 -18.307 1.00 0.00 O ATOM 872 CB CYS A 70 10.547 16.391 -18.107 1.00 0.00 C ATOM 873 SG CYS A 70 10.418 17.081 -16.445 1.00 0.00 S ATOM 0 H CYS A 70 9.659 14.479 -16.439 1.00 0.00 H new ATOM 0 HA CYS A 70 10.769 14.552 -19.173 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.359 16.892 -18.634 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.629 16.611 -18.652 1.00 0.00 H new ATOM 878 N SER A 71 12.234 14.134 -16.340 1.00 0.00 N ATOM 879 CA SER A 71 13.498 13.773 -15.719 1.00 0.00 C ATOM 880 C SER A 71 14.109 12.526 -16.350 1.00 0.00 C ATOM 881 O SER A 71 13.402 11.685 -16.915 1.00 0.00 O ATOM 882 CB SER A 71 13.313 13.574 -14.227 1.00 0.00 C ATOM 883 OG SER A 71 12.871 14.773 -13.623 1.00 0.00 O ATOM 0 H SER A 71 11.421 14.033 -15.733 1.00 0.00 H new ATOM 0 HA SER A 71 14.192 14.596 -15.887 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.589 12.779 -14.046 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.253 13.257 -13.776 1.00 0.00 H new ATOM 0 HG SER A 71 12.010 14.619 -13.181 1.00 0.00 H new ATOM 889 N THR A 72 15.424 12.418 -16.243 1.00 0.00 N ATOM 890 CA THR A 72 16.158 11.304 -16.807 1.00 0.00 C ATOM 891 C THR A 72 15.916 10.025 -16.011 1.00 0.00 C ATOM 892 O THR A 72 15.416 10.065 -14.879 1.00 0.00 O ATOM 893 CB THR A 72 17.679 11.613 -16.871 1.00 0.00 C ATOM 894 OG1 THR A 72 18.359 10.619 -17.641 1.00 0.00 O ATOM 895 CG2 THR A 72 18.289 11.680 -15.474 1.00 0.00 C ATOM 0 H THR A 72 16.009 13.101 -15.762 1.00 0.00 H new ATOM 0 HA THR A 72 15.792 11.153 -17.822 1.00 0.00 H new ATOM 0 HB THR A 72 17.798 12.585 -17.349 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.316 10.828 -17.674 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.354 11.898 -15.552 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.799 12.467 -14.900 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.150 10.723 -14.970 1.00 0.00 H new ATOM 903 N ALA A 73 16.267 8.906 -16.614 1.00 0.00 N ATOM 904 CA ALA A 73 16.087 7.608 -16.007 1.00 0.00 C ATOM 905 C ALA A 73 16.934 7.459 -14.750 1.00 0.00 C ATOM 906 O ALA A 73 18.166 7.552 -14.805 1.00 0.00 O ATOM 907 CB ALA A 73 16.431 6.512 -17.006 1.00 0.00 C ATOM 0 H ALA A 73 16.687 8.875 -17.543 1.00 0.00 H new ATOM 0 HA ALA A 73 15.040 7.514 -15.717 1.00 0.00 H new ATOM 0 HB1 ALA A 73 16.292 5.537 -16.539 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.778 6.594 -17.875 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.469 6.619 -17.320 1.00 0.00 H new ATOM 913 N CYS A 74 16.259 7.272 -13.620 1.00 0.00 N ATOM 914 CA CYS A 74 16.922 7.031 -12.341 1.00 0.00 C ATOM 915 C CYS A 74 17.863 5.826 -12.468 1.00 0.00 C ATOM 916 O CYS A 74 17.594 4.895 -13.231 1.00 0.00 O ATOM 917 CB CYS A 74 15.871 6.769 -11.243 1.00 0.00 C ATOM 918 SG CYS A 74 16.311 7.415 -9.603 1.00 0.00 S ATOM 0 H CYS A 74 15.241 7.283 -13.564 1.00 0.00 H new ATOM 0 HA CYS A 74 17.503 7.911 -12.066 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.924 7.213 -11.552 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.708 5.694 -11.164 1.00 0.00 H new ATOM 923 N LYS A 75 18.945 5.839 -11.712 1.00 0.00 N ATOM 924 CA LYS A 75 19.964 4.788 -11.787 1.00 0.00 C ATOM 925 C LYS A 75 19.575 3.567 -10.968 1.00 0.00 C ATOM 926 O LYS A 75 20.422 2.938 -10.328 1.00 0.00 O ATOM 927 CB LYS A 75 21.306 5.338 -11.310 1.00 0.00 C ATOM 928 CG LYS A 75 22.016 6.195 -12.337 1.00 0.00 C ATOM 929 CD LYS A 75 22.601 5.342 -13.447 1.00 0.00 C ATOM 930 CE LYS A 75 23.242 6.195 -14.530 1.00 0.00 C ATOM 931 NZ LYS A 75 24.310 7.074 -13.989 1.00 0.00 N ATOM 0 H LYS A 75 19.149 6.570 -11.030 1.00 0.00 H new ATOM 0 HA LYS A 75 20.047 4.472 -12.827 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.146 5.927 -10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.953 4.505 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.317 6.917 -12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.810 6.764 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.345 4.662 -13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 75 21.816 4.726 -13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.661 5.548 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.478 6.807 -15.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 24.832 7.510 -14.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.883 7.819 -13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.964 6.510 -13.410 1.00 0.00 H new ATOM 945 N CYS A 76 18.317 3.212 -11.028 1.00 0.00 N ATOM 946 CA CYS A 76 17.809 2.097 -10.270 1.00 0.00 C ATOM 947 C CYS A 76 17.074 1.123 -11.172 1.00 0.00 C ATOM 948 O CYS A 76 16.372 1.536 -12.093 1.00 0.00 O ATOM 949 CB CYS A 76 16.875 2.611 -9.197 1.00 0.00 C ATOM 950 SG CYS A 76 17.536 4.018 -8.299 1.00 0.00 S ATOM 0 H CYS A 76 17.618 3.685 -11.601 1.00 0.00 H new ATOM 0 HA CYS A 76 18.646 1.570 -9.811 1.00 0.00 H new ATOM 0 HB2 CYS A 76 15.927 2.893 -9.654 1.00 0.00 H new ATOM 0 HB3 CYS A 76 16.663 1.806 -8.493 1.00 0.00 H new ATOM 955 N ALA A 77 17.236 -0.171 -10.900 1.00 0.00 N ATOM 956 CA ALA A 77 16.583 -1.215 -11.683 1.00 0.00 C ATOM 957 C ALA A 77 16.772 -2.577 -11.035 1.00 0.00 C ATOM 958 O ALA A 77 17.872 -2.915 -10.620 1.00 0.00 O ATOM 959 CB ALA A 77 17.137 -1.238 -13.096 1.00 0.00 C ATOM 0 H ALA A 77 17.817 -0.521 -10.139 1.00 0.00 H new ATOM 0 HA ALA A 77 15.517 -0.992 -11.719 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.641 -2.022 -13.669 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.960 -0.273 -13.572 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.208 -1.436 -13.064 1.00 0.00 H new ATOM 965 N ALA A 78 15.684 -3.338 -10.927 1.00 0.00 N ATOM 966 CA ALA A 78 15.715 -4.705 -10.378 1.00 0.00 C ATOM 967 C ALA A 78 16.430 -4.781 -9.019 1.00 0.00 C ATOM 968 O ALA A 78 17.395 -5.522 -8.854 1.00 0.00 O ATOM 969 CB ALA A 78 16.360 -5.662 -11.378 1.00 0.00 C ATOM 0 H ALA A 78 14.755 -3.031 -11.215 1.00 0.00 H new ATOM 0 HA ALA A 78 14.681 -5.005 -10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.377 -6.668 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 78 15.785 -5.663 -12.304 1.00 0.00 H new ATOM 0 HB3 ALA A 78 17.380 -5.338 -11.585 1.00 0.00 H new ATOM 975 N GLY A 79 15.959 -4.003 -8.062 1.00 0.00 N ATOM 976 CA GLY A 79 16.540 -4.036 -6.721 1.00 0.00 C ATOM 977 C GLY A 79 17.775 -3.154 -6.566 1.00 0.00 C ATOM 978 O GLY A 79 18.321 -3.036 -5.476 1.00 0.00 O ATOM 0 H GLY A 79 15.187 -3.347 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.786 -3.720 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.805 -5.064 -6.475 1.00 0.00 H new ATOM 982 N SER A 80 18.196 -2.514 -7.642 1.00 0.00 N ATOM 983 CA SER A 80 19.388 -1.683 -7.625 1.00 0.00 C ATOM 984 C SER A 80 19.085 -0.245 -7.171 1.00 0.00 C ATOM 985 O SER A 80 19.777 0.690 -7.558 1.00 0.00 O ATOM 986 CB SER A 80 20.019 -1.684 -9.010 1.00 0.00 C ATOM 987 OG SER A 80 20.341 -3.005 -9.418 1.00 0.00 O ATOM 0 H SER A 80 17.726 -2.554 -8.546 1.00 0.00 H new ATOM 0 HA SER A 80 20.085 -2.102 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.332 -1.235 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.920 -1.071 -9.004 1.00 0.00 H new ATOM 0 HG SER A 80 19.602 -3.373 -9.946 1.00 0.00 H new ATOM 993 N CYS A 81 18.055 -0.085 -6.348 1.00 0.00 N ATOM 994 CA CYS A 81 17.700 1.216 -5.812 1.00 0.00 C ATOM 995 C CYS A 81 18.763 1.666 -4.812 1.00 0.00 C ATOM 996 O CYS A 81 19.167 0.893 -3.936 1.00 0.00 O ATOM 997 CB CYS A 81 16.338 1.126 -5.144 1.00 0.00 C ATOM 998 SG CYS A 81 15.742 2.669 -4.450 1.00 0.00 S ATOM 0 H CYS A 81 17.451 -0.846 -6.039 1.00 0.00 H new ATOM 0 HA CYS A 81 17.651 1.950 -6.617 1.00 0.00 H new ATOM 0 HB2 CYS A 81 15.613 0.768 -5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 81 16.386 0.381 -4.350 1.00 0.00 H new ATOM 1003 N LYS A 82 19.210 2.903 -4.930 1.00 0.00 N ATOM 1004 CA LYS A 82 20.303 3.382 -4.093 1.00 0.00 C ATOM 1005 C LYS A 82 20.058 4.789 -3.544 1.00 0.00 C ATOM 1006 O LYS A 82 20.995 5.476 -3.123 1.00 0.00 O ATOM 1007 CB LYS A 82 21.580 3.349 -4.902 1.00 0.00 C ATOM 1008 CG LYS A 82 21.513 4.171 -6.170 1.00 0.00 C ATOM 1009 CD LYS A 82 22.618 3.779 -7.103 1.00 0.00 C ATOM 1010 CE LYS A 82 22.810 4.783 -8.216 1.00 0.00 C ATOM 1011 NZ LYS A 82 23.195 6.110 -7.689 1.00 0.00 N ATOM 0 H LYS A 82 18.841 3.590 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 82 20.379 2.725 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 82 22.401 3.714 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 82 21.810 2.315 -5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.548 4.024 -6.656 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.590 5.231 -5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.547 3.680 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.399 2.801 -7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.579 4.426 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.888 4.872 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 24.041 6.450 -8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.414 6.781 -7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.401 6.033 -6.672 1.00 0.00 H new ATOM 1025 N CYS A 83 18.816 5.210 -3.541 1.00 0.00 N ATOM 1026 CA CYS A 83 18.467 6.530 -3.038 1.00 0.00 C ATOM 1027 C CYS A 83 17.591 6.442 -1.799 1.00 0.00 C ATOM 1028 O CYS A 83 17.325 7.449 -1.147 1.00 0.00 O ATOM 1029 CB CYS A 83 17.762 7.313 -4.121 1.00 0.00 C ATOM 1030 SG CYS A 83 16.632 6.311 -5.094 1.00 0.00 S ATOM 0 H CYS A 83 18.025 4.662 -3.880 1.00 0.00 H new ATOM 0 HA CYS A 83 19.387 7.042 -2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 83 17.209 8.135 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 83 18.506 7.757 -4.783 1.00 0.00 H new ATOM 1035 N GLY A 84 17.122 5.244 -1.497 1.00 0.00 N ATOM 1036 CA GLY A 84 16.291 5.049 -0.331 1.00 0.00 C ATOM 1037 C GLY A 84 14.844 5.291 -0.646 1.00 0.00 C ATOM 1038 O GLY A 84 14.007 5.405 0.247 1.00 0.00 O ATOM 0 H GLY A 84 17.303 4.400 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.419 4.033 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.610 5.724 0.463 1.00 0.00 H new ATOM 1042 N LYS A 85 14.547 5.387 -1.928 1.00 0.00 N ATOM 1043 CA LYS A 85 13.196 5.624 -2.376 1.00 0.00 C ATOM 1044 C LYS A 85 12.448 4.305 -2.520 1.00 0.00 C ATOM 1045 O LYS A 85 11.235 4.247 -2.335 1.00 0.00 O ATOM 1046 CB LYS A 85 13.198 6.388 -3.703 1.00 0.00 C ATOM 1047 CG LYS A 85 13.945 7.727 -3.664 1.00 0.00 C ATOM 1048 CD LYS A 85 13.325 8.698 -2.664 1.00 0.00 C ATOM 1049 CE LYS A 85 14.196 8.885 -1.434 1.00 0.00 C ATOM 1050 NZ LYS A 85 15.459 9.589 -1.752 1.00 0.00 N ATOM 0 H LYS A 85 15.232 5.303 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 85 12.684 6.233 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.648 5.758 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.167 6.570 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.988 7.553 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.937 8.176 -4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.167 9.663 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.345 8.329 -2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.645 9.450 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.423 7.912 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.263 8.950 -1.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.449 9.887 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.553 10.426 -1.142 1.00 0.00 H new ATOM 1064 N GLY A 86 13.190 3.245 -2.830 1.00 0.00 N ATOM 1065 CA GLY A 86 12.590 1.935 -2.993 1.00 0.00 C ATOM 1066 C GLY A 86 11.747 1.854 -4.241 1.00 0.00 C ATOM 1067 O GLY A 86 10.636 1.325 -4.216 1.00 0.00 O ATOM 0 H GLY A 86 14.200 3.272 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.374 1.179 -3.035 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.974 1.707 -2.123 1.00 0.00 H new ATOM 1071 N CYS A 87 12.272 2.374 -5.332 1.00 0.00 N ATOM 1072 CA CYS A 87 11.537 2.406 -6.585 1.00 0.00 C ATOM 1073 C CYS A 87 12.082 1.385 -7.572 1.00 0.00 C ATOM 1074 O CYS A 87 11.324 0.746 -8.300 1.00 0.00 O ATOM 1075 CB CYS A 87 11.590 3.800 -7.171 1.00 0.00 C ATOM 1076 SG CYS A 87 13.253 4.514 -7.244 1.00 0.00 S ATOM 0 H CYS A 87 13.206 2.781 -5.379 1.00 0.00 H new ATOM 0 HA CYS A 87 10.499 2.143 -6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 87 11.174 3.774 -8.178 1.00 0.00 H new ATOM 0 HB3 CYS A 87 10.951 4.455 -6.579 1.00 0.00 H new ATOM 1081 N THR A 88 13.405 1.253 -7.598 1.00 0.00 N ATOM 1082 CA THR A 88 14.107 0.269 -8.429 1.00 0.00 C ATOM 1083 C THR A 88 13.767 0.369 -9.925 1.00 0.00 C ATOM 1084 O THR A 88 13.768 -0.637 -10.629 1.00 0.00 O ATOM 1085 CB THR A 88 13.877 -1.191 -7.926 1.00 0.00 C ATOM 1086 OG1 THR A 88 12.486 -1.527 -7.902 1.00 0.00 O ATOM 1087 CG2 THR A 88 14.448 -1.373 -6.539 1.00 0.00 C ATOM 0 H THR A 88 14.031 1.831 -7.037 1.00 0.00 H new ATOM 0 HA THR A 88 15.163 0.517 -8.324 1.00 0.00 H new ATOM 0 HB THR A 88 14.387 -1.853 -8.626 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.978 -0.855 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.277 -2.397 -6.207 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.519 -1.171 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.960 -0.682 -5.851 1.00 0.00 H new ATOM 1095 N GLY A 89 13.522 1.578 -10.410 1.00 0.00 N ATOM 1096 CA GLY A 89 13.215 1.757 -11.820 1.00 0.00 C ATOM 1097 C GLY A 89 12.640 3.124 -12.097 1.00 0.00 C ATOM 1098 O GLY A 89 11.804 3.601 -11.331 1.00 0.00 O ATOM 0 H GLY A 89 13.529 2.436 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.121 1.617 -12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.506 0.993 -12.138 1.00 0.00 H new ATOM 1102 N PRO A 90 13.052 3.784 -13.201 1.00 0.00 N ATOM 1103 CA PRO A 90 12.585 5.144 -13.524 1.00 0.00 C ATOM 1104 C PRO A 90 11.089 5.205 -13.858 1.00 0.00 C ATOM 1105 O PRO A 90 10.500 6.283 -13.915 1.00 0.00 O ATOM 1106 CB PRO A 90 13.420 5.523 -14.752 1.00 0.00 C ATOM 1107 CG PRO A 90 13.809 4.220 -15.369 1.00 0.00 C ATOM 1108 CD PRO A 90 14.010 3.269 -14.229 1.00 0.00 C ATOM 0 HA PRO A 90 12.705 5.818 -12.676 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.845 6.134 -15.448 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.298 6.104 -14.469 1.00 0.00 H new ATOM 0 HG2 PRO A 90 13.033 3.861 -16.045 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.721 4.323 -15.957 1.00 0.00 H new ATOM 0 HD2 PRO A 90 13.785 2.241 -14.514 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.038 3.281 -13.867 1.00 0.00 H new ATOM 1116 N ASP A 91 10.486 4.052 -14.081 1.00 0.00 N ATOM 1117 CA ASP A 91 9.066 3.986 -14.416 1.00 0.00 C ATOM 1118 C ASP A 91 8.225 3.692 -13.184 1.00 0.00 C ATOM 1119 O ASP A 91 6.997 3.716 -13.238 1.00 0.00 O ATOM 1120 CB ASP A 91 8.808 2.911 -15.471 1.00 0.00 C ATOM 1121 CG ASP A 91 9.437 3.222 -16.809 1.00 0.00 C ATOM 1122 OD1 ASP A 91 10.572 2.762 -17.062 1.00 0.00 O ATOM 1123 OD2 ASP A 91 8.797 3.915 -17.626 1.00 0.00 O ATOM 0 H ASP A 91 10.953 3.146 -14.037 1.00 0.00 H new ATOM 0 HA ASP A 91 8.780 4.959 -14.815 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.193 1.957 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.733 2.791 -15.602 1.00 0.00 H new ATOM 1128 N SER A 92 8.886 3.411 -12.080 1.00 0.00 N ATOM 1129 CA SER A 92 8.192 3.072 -10.850 1.00 0.00 C ATOM 1130 C SER A 92 8.429 4.125 -9.770 1.00 0.00 C ATOM 1131 O SER A 92 7.728 4.160 -8.753 1.00 0.00 O ATOM 1132 CB SER A 92 8.663 1.704 -10.356 1.00 0.00 C ATOM 1133 OG SER A 92 8.555 0.733 -11.387 1.00 0.00 O ATOM 0 H SER A 92 9.903 3.410 -12.007 1.00 0.00 H new ATOM 0 HA SER A 92 7.123 3.040 -11.059 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.697 1.770 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.067 1.397 -9.497 1.00 0.00 H new ATOM 0 HG SER A 92 8.863 -0.135 -11.052 1.00 0.00 H new ATOM 1139 N CYS A 93 9.397 4.988 -9.995 1.00 0.00 N ATOM 1140 CA CYS A 93 9.750 5.990 -9.018 1.00 0.00 C ATOM 1141 C CYS A 93 8.937 7.252 -9.209 1.00 0.00 C ATOM 1142 O CYS A 93 8.356 7.484 -10.274 1.00 0.00 O ATOM 1143 CB CYS A 93 11.221 6.328 -9.120 1.00 0.00 C ATOM 1144 SG CYS A 93 11.629 7.332 -10.526 1.00 0.00 S ATOM 0 H CYS A 93 9.954 5.014 -10.849 1.00 0.00 H new ATOM 0 HA CYS A 93 9.534 5.579 -8.032 1.00 0.00 H new ATOM 0 HB2 CYS A 93 11.529 6.848 -8.213 1.00 0.00 H new ATOM 0 HB3 CYS A 93 11.795 5.402 -9.167 1.00 0.00 H new ATOM 1149 N LYS A 94 8.895 8.050 -8.165 1.00 0.00 N ATOM 1150 CA LYS A 94 8.210 9.322 -8.168 1.00 0.00 C ATOM 1151 C LYS A 94 8.958 10.288 -7.256 1.00 0.00 C ATOM 1152 O LYS A 94 8.358 11.114 -6.561 1.00 0.00 O ATOM 1153 CB LYS A 94 6.752 9.139 -7.713 1.00 0.00 C ATOM 1154 CG LYS A 94 5.868 8.475 -8.772 1.00 0.00 C ATOM 1155 CD LYS A 94 4.544 7.987 -8.204 1.00 0.00 C ATOM 1156 CE LYS A 94 4.735 6.781 -7.297 1.00 0.00 C ATOM 1157 NZ LYS A 94 5.270 5.607 -8.038 1.00 0.00 N ATOM 0 H LYS A 94 9.343 7.829 -7.276 1.00 0.00 H new ATOM 0 HA LYS A 94 8.191 9.734 -9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.735 8.536 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.333 10.112 -7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.675 9.185 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.403 7.633 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.069 8.792 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.871 7.726 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.417 7.040 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.782 6.517 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.850 4.735 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.031 5.695 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.304 5.569 -7.929 1.00 0.00 H new ATOM 1171 N CYS A 95 10.285 10.192 -7.295 1.00 0.00 N ATOM 1172 CA CYS A 95 11.149 11.005 -6.453 1.00 0.00 C ATOM 1173 C CYS A 95 11.704 12.209 -7.222 1.00 0.00 C ATOM 1174 O CYS A 95 11.176 12.592 -8.267 1.00 0.00 O ATOM 1175 CB CYS A 95 12.296 10.150 -5.886 1.00 0.00 C ATOM 1176 SG CYS A 95 13.378 9.394 -7.132 1.00 0.00 S ATOM 0 H CYS A 95 10.787 9.551 -7.909 1.00 0.00 H new ATOM 0 HA CYS A 95 10.552 11.387 -5.625 1.00 0.00 H new ATOM 0 HB2 CYS A 95 12.903 10.773 -5.229 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.869 9.359 -5.270 1.00 0.00 H new ATOM 1181 N ASP A 96 12.751 12.809 -6.687 1.00 0.00 N ATOM 1182 CA ASP A 96 13.374 13.974 -7.295 1.00 0.00 C ATOM 1183 C ASP A 96 14.724 13.626 -7.910 1.00 0.00 C ATOM 1184 O ASP A 96 15.234 12.517 -7.752 1.00 0.00 O ATOM 1185 CB ASP A 96 13.545 15.086 -6.261 1.00 0.00 C ATOM 1186 CG ASP A 96 14.295 14.618 -5.037 1.00 0.00 C ATOM 1187 OD1 ASP A 96 15.523 14.757 -5.008 1.00 0.00 O ATOM 1188 OD2 ASP A 96 13.648 14.093 -4.096 1.00 0.00 O ATOM 0 H ASP A 96 13.194 12.505 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 96 12.717 14.322 -8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.078 15.922 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.564 15.457 -5.964 1.00 0.00 H new ATOM 1193 N ARG A 97 15.309 14.593 -8.599 1.00 0.00 N ATOM 1194 CA ARG A 97 16.593 14.400 -9.273 1.00 0.00 C ATOM 1195 C ARG A 97 17.728 14.876 -8.395 1.00 0.00 C ATOM 1196 O ARG A 97 18.870 14.985 -8.842 1.00 0.00 O ATOM 1197 CB ARG A 97 16.634 15.182 -10.569 1.00 0.00 C ATOM 1198 CG ARG A 97 15.324 15.212 -11.308 1.00 0.00 C ATOM 1199 CD ARG A 97 15.404 16.058 -12.559 1.00 0.00 C ATOM 1200 NE ARG A 97 16.448 15.621 -13.491 1.00 0.00 N ATOM 1201 CZ ARG A 97 16.398 15.833 -14.815 1.00 0.00 C ATOM 1202 NH1 ARG A 97 15.328 16.411 -15.362 1.00 0.00 N ATOM 1203 NH2 ARG A 97 17.414 15.455 -15.590 1.00 0.00 N ATOM 0 H ARG A 97 14.915 15.527 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 97 16.703 13.335 -9.478 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.942 16.205 -10.354 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.396 14.750 -11.218 1.00 0.00 H new ATOM 0 HG2 ARG A 97 15.034 14.196 -11.574 1.00 0.00 H new ATOM 0 HG3 ARG A 97 14.546 15.604 -10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.440 16.034 -13.067 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.590 17.094 -12.277 1.00 0.00 H new ATOM 0 HE ARG A 97 17.257 15.129 -13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.544 16.693 -14.774 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.293 16.571 -16.369 1.00 0.00 H new ATOM 0 HH21 ARG A 97 18.230 15.004 -15.177 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.375 15.616 -16.596 1.00 0.00 H new ATOM 1217 N SER A 98 17.416 15.164 -7.170 1.00 0.00 N ATOM 1218 CA SER A 98 18.395 15.640 -6.242 1.00 0.00 C ATOM 1219 C SER A 98 18.637 14.610 -5.154 1.00 0.00 C ATOM 1220 O SER A 98 19.293 14.891 -4.144 1.00 0.00 O ATOM 1221 CB SER A 98 17.937 16.961 -5.651 1.00 0.00 C ATOM 1222 OG SER A 98 17.882 17.971 -6.645 1.00 0.00 O ATOM 0 H SER A 98 16.476 15.076 -6.785 1.00 0.00 H new ATOM 0 HA SER A 98 19.338 15.801 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 98 16.954 16.839 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.619 17.264 -4.857 1.00 0.00 H new ATOM 0 HG SER A 98 18.521 18.681 -6.426 1.00 0.00 H new ATOM 1228 N CYS A 99 18.107 13.401 -5.367 1.00 0.00 N ATOM 1229 CA CYS A 99 18.279 12.336 -4.446 1.00 0.00 C ATOM 1230 C CYS A 99 19.752 11.994 -4.316 1.00 0.00 C ATOM 1231 O CYS A 99 20.549 12.305 -5.208 1.00 0.00 O ATOM 1232 CB CYS A 99 17.448 11.115 -4.887 1.00 0.00 C ATOM 1233 SG CYS A 99 17.927 10.337 -6.464 1.00 0.00 S ATOM 0 H CYS A 99 17.552 13.160 -6.189 1.00 0.00 H new ATOM 0 HA CYS A 99 17.921 12.644 -3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 99 17.506 10.361 -4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 99 16.404 11.420 -4.960 1.00 0.00 H new ATOM 1238 N SER A 100 20.119 11.354 -3.219 1.00 0.00 N ATOM 1239 CA SER A 100 21.509 10.984 -2.958 1.00 0.00 C ATOM 1240 C SER A 100 21.979 9.868 -3.904 1.00 0.00 C ATOM 1241 O SER A 100 22.973 9.192 -3.654 1.00 0.00 O ATOM 1242 CB SER A 100 21.652 10.561 -1.500 1.00 0.00 C ATOM 1243 OG SER A 100 21.229 11.613 -0.636 1.00 0.00 O ATOM 0 H SER A 100 19.469 11.075 -2.484 1.00 0.00 H new ATOM 0 HA SER A 100 22.145 11.850 -3.145 1.00 0.00 H new ATOM 0 HB2 SER A 100 21.057 9.667 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.690 10.303 -1.289 1.00 0.00 H new ATOM 0 HG SER A 100 21.324 11.328 0.297 1.00 0.00 H new ATOM 1249 N CYS A 101 21.261 9.710 -4.985 1.00 0.00 N ATOM 1250 CA CYS A 101 21.544 8.726 -5.975 1.00 0.00 C ATOM 1251 C CYS A 101 22.015 9.367 -7.283 1.00 0.00 C ATOM 1252 O CYS A 101 22.920 8.851 -7.938 1.00 0.00 O ATOM 1253 CB CYS A 101 20.298 7.912 -6.203 1.00 0.00 C ATOM 1254 SG CYS A 101 20.233 7.060 -7.762 1.00 0.00 S ATOM 0 H CYS A 101 20.444 10.281 -5.199 1.00 0.00 H new ATOM 0 HA CYS A 101 22.353 8.085 -5.625 1.00 0.00 H new ATOM 0 HB2 CYS A 101 20.209 7.179 -5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 101 19.433 8.571 -6.130 1.00 0.00 H new ATOM 1259 N LYS A 102 21.401 10.488 -7.665 1.00 0.00 N ATOM 1260 CA LYS A 102 21.775 11.165 -8.920 1.00 0.00 C ATOM 1261 C LYS A 102 23.242 11.591 -8.892 1.00 0.00 C ATOM 1262 O LYS A 102 23.583 12.472 -8.056 1.00 0.00 O ATOM 1263 CB LYS A 102 20.882 12.382 -9.183 1.00 0.00 C ATOM 1264 CG LYS A 102 19.444 12.040 -9.545 1.00 0.00 C ATOM 1265 CD LYS A 102 19.309 11.496 -10.972 1.00 0.00 C ATOM 1266 CE LYS A 102 18.592 10.141 -10.962 1.00 0.00 C ATOM 1267 NZ LYS A 102 17.337 10.159 -10.136 1.00 0.00 N ATOM 0 H LYS A 102 20.656 10.944 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 102 21.631 10.451 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 102 20.880 13.014 -8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 102 21.318 12.969 -9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.062 11.301 -8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.825 12.931 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 102 18.753 12.204 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 102 20.296 11.389 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.346 9.857 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 102 19.268 9.379 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.731 9.358 -10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.583 10.081 -9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.827 11.050 -10.300 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 13.748 7.211 -8.657 1.00 0.00 CD HETATM 1283 CD CD A 202 15.779 4.418 -6.274 1.00 0.00 CD HETATM 1284 CD CD A 203 17.761 7.778 -7.241 1.00 0.00 CD HETATM 1285 CD CD A 204 7.902 17.445 -15.702 1.00 0.00 CD HETATM 1286 CD CD A 205 9.907 20.210 -13.338 1.00 0.00 CD HETATM 1287 CD CD A 206 11.316 19.395 -17.220 1.00 0.00 CD HETATM 1288 CD CD A 207 8.590 25.273 4.549 1.00 0.00 CD HETATM 1289 CD CD A 208 7.502 27.865 1.689 1.00 0.00 CD HETATM 1290 CD CD A 209 6.743 23.779 1.058 1.00 0.00 CD