USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 180:sc= -0.0898 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -174:sc= -0.0746 (180deg=-0.15) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -143:sc= -1.05 (180deg=-3.52!) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 5 SER OG : rot 50:sc= 0.31 USER MOD Single : A 12 THR OG1 : rot 53:sc= -0.777 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.56) USER MOD Single : A 17 GLN :FLIP amide:sc= -3.18! C(o=-3.7!,f=-3.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 24 THR OG1 : rot -31:sc= 0.117 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0405 X(o=-0.04,f=-0.23) USER MOD Single : A 30 THR OG1 : rot -90:sc= 0.154 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 37 SER OG : rot 150:sc= -1.47! USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= 1.39 (180deg=0.604) USER MOD Single : A 40 TYR OH : rot -120:sc= -1.17 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.579 K(o=-0.58,f=-1.4!) USER MOD Single : A 51 THR OG1 : rot -56:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.269 F(o=-1.4!,f=-0.27) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.131 F(o=-1.8,f=-0.13) USER MOD Single : A 69 SER OG : rot 92:sc= 0.597 USER MOD Single : A 71 SER OG : rot 114:sc= 1.18 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc=-0.00975 (180deg=-0.21) USER MOD Single : A 80 SER OG : rot -50:sc= 0.191 USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -0.0211 (180deg=-0.238) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 5:sc= 0.81 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -172:sc=-0.00278 (180deg=-0.108) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -165:sc= -0.798 (180deg=-0.801) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.097 14.011 11.008 1.00 0.00 N ATOM 2 CA GLY A 1 15.367 13.817 12.298 1.00 0.00 C ATOM 3 C GLY A 1 14.883 15.128 12.892 1.00 0.00 C ATOM 4 O GLY A 1 13.978 15.147 13.735 1.00 0.00 O ATOM 0 H1 GLY A 1 16.318 13.084 10.591 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.501 14.553 10.350 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.980 14.531 11.184 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.514 13.159 12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.022 13.318 13.012 1.00 0.00 H new ATOM 7 N SER A 2 15.478 16.223 12.453 1.00 0.00 N ATOM 8 CA SER A 2 15.119 17.535 12.947 1.00 0.00 C ATOM 9 C SER A 2 14.085 18.189 12.034 1.00 0.00 C ATOM 10 O SER A 2 13.812 17.693 10.933 1.00 0.00 O ATOM 11 CB SER A 2 16.367 18.412 13.042 1.00 0.00 C ATOM 12 OG SER A 2 17.364 17.798 13.844 1.00 0.00 O ATOM 0 H SER A 2 16.217 16.226 11.750 1.00 0.00 H new ATOM 0 HA SER A 2 14.681 17.427 13.939 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.762 18.596 12.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.103 19.381 13.464 1.00 0.00 H new ATOM 0 HG SER A 2 18.152 18.378 13.887 1.00 0.00 H new ATOM 18 N MET A 3 13.505 19.284 12.493 1.00 0.00 N ATOM 19 CA MET A 3 12.529 20.023 11.710 1.00 0.00 C ATOM 20 C MET A 3 12.408 21.452 12.217 1.00 0.00 C ATOM 21 O MET A 3 11.880 21.696 13.301 1.00 0.00 O ATOM 22 CB MET A 3 11.158 19.335 11.748 1.00 0.00 C ATOM 23 CG MET A 3 10.060 20.045 10.945 1.00 0.00 C ATOM 24 SD MET A 3 10.059 19.646 9.169 1.00 0.00 S ATOM 25 CE MET A 3 11.523 20.496 8.577 1.00 0.00 C ATOM 0 H MET A 3 13.695 19.684 13.412 1.00 0.00 H new ATOM 0 HA MET A 3 12.876 20.043 10.677 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.266 18.319 11.369 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.836 19.255 12.786 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.090 19.782 11.366 1.00 0.00 H new ATOM 0 HG3 MET A 3 10.177 21.122 11.064 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.331 20.902 7.584 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.773 21.308 9.259 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.356 19.795 8.528 1.00 0.00 H new ATOM 35 N SER A 4 12.917 22.380 11.442 1.00 0.00 N ATOM 36 CA SER A 4 12.840 23.787 11.777 1.00 0.00 C ATOM 37 C SER A 4 11.571 24.397 11.175 1.00 0.00 C ATOM 38 O SER A 4 10.776 23.686 10.558 1.00 0.00 O ATOM 39 CB SER A 4 14.088 24.503 11.254 1.00 0.00 C ATOM 40 OG SER A 4 14.312 24.194 9.887 1.00 0.00 O ATOM 0 H SER A 4 13.396 22.184 10.563 1.00 0.00 H new ATOM 0 HA SER A 4 12.796 23.905 12.860 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.971 25.580 11.373 1.00 0.00 H new ATOM 0 HB3 SER A 4 14.956 24.209 11.845 1.00 0.00 H new ATOM 0 HG SER A 4 15.113 24.663 9.573 1.00 0.00 H new ATOM 46 N SER A 5 11.382 25.703 11.357 1.00 0.00 N ATOM 47 CA SER A 5 10.220 26.390 10.805 1.00 0.00 C ATOM 48 C SER A 5 10.304 26.399 9.280 1.00 0.00 C ATOM 49 O SER A 5 10.982 27.242 8.685 1.00 0.00 O ATOM 50 CB SER A 5 10.141 27.823 11.351 1.00 0.00 C ATOM 51 OG SER A 5 8.923 28.456 10.985 1.00 0.00 O ATOM 0 H SER A 5 12.018 26.304 11.881 1.00 0.00 H new ATOM 0 HA SER A 5 9.315 25.861 11.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.230 27.804 12.437 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.982 28.404 10.972 1.00 0.00 H new ATOM 0 HG SER A 5 8.170 27.866 11.198 1.00 0.00 H new ATOM 57 N VAL A 6 9.646 25.441 8.658 1.00 0.00 N ATOM 58 CA VAL A 6 9.695 25.294 7.216 1.00 0.00 C ATOM 59 C VAL A 6 8.521 26.015 6.538 1.00 0.00 C ATOM 60 O VAL A 6 8.507 26.202 5.326 1.00 0.00 O ATOM 61 CB VAL A 6 9.719 23.789 6.814 1.00 0.00 C ATOM 62 CG1 VAL A 6 8.384 23.116 7.084 1.00 0.00 C ATOM 63 CG2 VAL A 6 10.134 23.607 5.366 1.00 0.00 C ATOM 0 H VAL A 6 9.067 24.748 9.132 1.00 0.00 H new ATOM 0 HA VAL A 6 10.617 25.759 6.869 1.00 0.00 H new ATOM 0 HB VAL A 6 10.468 23.303 7.440 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.439 22.068 6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.151 23.184 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.603 23.613 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.140 22.545 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.428 24.126 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.132 24.019 5.219 1.00 0.00 H new ATOM 73 N PHE A 7 7.553 26.442 7.327 1.00 0.00 N ATOM 74 CA PHE A 7 6.388 27.120 6.778 1.00 0.00 C ATOM 75 C PHE A 7 6.616 28.623 6.707 1.00 0.00 C ATOM 76 O PHE A 7 7.537 29.153 7.332 1.00 0.00 O ATOM 77 CB PHE A 7 5.124 26.811 7.600 1.00 0.00 C ATOM 78 CG PHE A 7 5.118 27.390 8.993 1.00 0.00 C ATOM 79 CD1 PHE A 7 4.432 28.565 9.264 1.00 0.00 C ATOM 80 CD2 PHE A 7 5.789 26.760 10.025 1.00 0.00 C ATOM 81 CE1 PHE A 7 4.419 29.098 10.536 1.00 0.00 C ATOM 82 CE2 PHE A 7 5.780 27.288 11.300 1.00 0.00 C ATOM 83 CZ PHE A 7 5.093 28.458 11.556 1.00 0.00 C ATOM 0 H PHE A 7 7.547 26.334 8.341 1.00 0.00 H new ATOM 0 HA PHE A 7 6.237 26.744 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.256 27.189 7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.009 25.729 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 7 3.902 29.068 8.469 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.327 25.844 9.831 1.00 0.00 H new ATOM 0 HE1 PHE A 7 3.882 30.014 10.733 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.310 26.787 12.097 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.083 28.872 12.554 1.00 0.00 H new ATOM 93 N GLY A 8 5.785 29.294 5.932 1.00 0.00 N ATOM 94 CA GLY A 8 5.862 30.734 5.824 1.00 0.00 C ATOM 95 C GLY A 8 5.110 31.413 6.944 1.00 0.00 C ATOM 96 O GLY A 8 5.605 31.509 8.064 1.00 0.00 O ATOM 0 H GLY A 8 5.051 28.864 5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.906 31.046 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.452 31.051 4.865 1.00 0.00 H new ATOM 100 N ALA A 9 3.907 31.880 6.648 1.00 0.00 N ATOM 101 CA ALA A 9 3.074 32.531 7.654 1.00 0.00 C ATOM 102 C ALA A 9 1.773 31.762 7.867 1.00 0.00 C ATOM 103 O ALA A 9 1.206 31.763 8.960 1.00 0.00 O ATOM 104 CB ALA A 9 2.784 33.970 7.253 1.00 0.00 C ATOM 0 H ALA A 9 3.484 31.822 5.722 1.00 0.00 H new ATOM 0 HA ALA A 9 3.621 32.536 8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.162 34.441 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.722 34.518 7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.261 33.983 6.297 1.00 0.00 H new ATOM 110 N GLY A 10 1.316 31.102 6.819 1.00 0.00 N ATOM 111 CA GLY A 10 0.082 30.342 6.881 1.00 0.00 C ATOM 112 C GLY A 10 -0.073 29.461 5.670 1.00 0.00 C ATOM 113 O GLY A 10 -0.912 29.714 4.806 1.00 0.00 O ATOM 0 H GLY A 10 1.783 31.077 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.073 29.730 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.766 31.024 6.950 1.00 0.00 H new ATOM 117 N CYS A 11 0.751 28.443 5.599 1.00 0.00 N ATOM 118 CA CYS A 11 0.764 27.530 4.472 1.00 0.00 C ATOM 119 C CYS A 11 -0.462 26.622 4.454 1.00 0.00 C ATOM 120 O CYS A 11 -1.097 26.384 5.488 1.00 0.00 O ATOM 121 CB CYS A 11 2.038 26.702 4.503 1.00 0.00 C ATOM 122 SG CYS A 11 3.539 27.702 4.606 1.00 0.00 S ATOM 0 H CYS A 11 1.435 28.220 6.322 1.00 0.00 H new ATOM 0 HA CYS A 11 0.734 28.124 3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.002 26.025 5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.083 26.083 3.607 1.00 0.00 H new ATOM 127 N THR A 12 -0.789 26.125 3.274 1.00 0.00 N ATOM 128 CA THR A 12 -1.917 25.259 3.090 1.00 0.00 C ATOM 129 C THR A 12 -1.576 23.825 3.487 1.00 0.00 C ATOM 130 O THR A 12 -0.402 23.484 3.684 1.00 0.00 O ATOM 131 CB THR A 12 -2.355 25.305 1.628 1.00 0.00 C ATOM 132 OG1 THR A 12 -1.192 25.220 0.791 1.00 0.00 O ATOM 133 CG2 THR A 12 -3.088 26.600 1.332 1.00 0.00 C ATOM 0 H THR A 12 -0.270 26.318 2.418 1.00 0.00 H new ATOM 0 HA THR A 12 -2.730 25.602 3.730 1.00 0.00 H new ATOM 0 HB THR A 12 -3.027 24.469 1.432 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.661 24.437 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.392 26.615 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.971 26.672 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.428 27.445 1.530 1.00 0.00 H new ATOM 141 N ASP A 13 -2.593 22.985 3.590 1.00 0.00 N ATOM 142 CA ASP A 13 -2.398 21.593 3.983 1.00 0.00 C ATOM 143 C ASP A 13 -1.655 20.824 2.895 1.00 0.00 C ATOM 144 O ASP A 13 -0.955 19.847 3.173 1.00 0.00 O ATOM 145 CB ASP A 13 -3.740 20.926 4.294 1.00 0.00 C ATOM 146 CG ASP A 13 -3.581 19.495 4.760 1.00 0.00 C ATOM 147 OD1 ASP A 13 -3.798 18.571 3.944 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.227 19.283 5.942 1.00 0.00 O ATOM 0 H ASP A 13 -3.564 23.240 3.407 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.790 21.577 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.258 21.500 5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.368 20.947 3.403 1.00 0.00 H new ATOM 153 N VAL A 14 -1.793 21.287 1.655 1.00 0.00 N ATOM 154 CA VAL A 14 -1.114 20.668 0.523 1.00 0.00 C ATOM 155 C VAL A 14 0.404 20.888 0.621 1.00 0.00 C ATOM 156 O VAL A 14 1.190 20.128 0.063 1.00 0.00 O ATOM 157 CB VAL A 14 -1.659 21.199 -0.845 1.00 0.00 C ATOM 158 CG1 VAL A 14 -1.306 22.652 -1.064 1.00 0.00 C ATOM 159 CG2 VAL A 14 -1.164 20.358 -2.002 1.00 0.00 C ATOM 0 H VAL A 14 -2.371 22.091 1.410 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.319 19.598 0.563 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.745 21.119 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.702 22.982 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.738 23.256 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.222 22.768 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.561 20.755 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.075 20.384 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.499 19.329 -1.873 1.00 0.00 H new ATOM 169 N CYS A 15 0.802 21.910 1.372 1.00 0.00 N ATOM 170 CA CYS A 15 2.207 22.207 1.569 1.00 0.00 C ATOM 171 C CYS A 15 2.767 21.287 2.638 1.00 0.00 C ATOM 172 O CYS A 15 3.925 20.882 2.593 1.00 0.00 O ATOM 173 CB CYS A 15 2.384 23.674 1.979 1.00 0.00 C ATOM 174 SG CYS A 15 4.085 24.151 2.351 1.00 0.00 S ATOM 0 H CYS A 15 0.165 22.545 1.853 1.00 0.00 H new ATOM 0 HA CYS A 15 2.748 22.045 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.010 24.309 1.176 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.766 23.870 2.855 1.00 0.00 H new ATOM 179 N LYS A 16 1.915 20.938 3.593 1.00 0.00 N ATOM 180 CA LYS A 16 2.289 20.054 4.677 1.00 0.00 C ATOM 181 C LYS A 16 2.232 18.588 4.231 1.00 0.00 C ATOM 182 O LYS A 16 2.373 17.675 5.045 1.00 0.00 O ATOM 183 CB LYS A 16 1.365 20.279 5.876 1.00 0.00 C ATOM 184 CG LYS A 16 1.274 21.735 6.350 1.00 0.00 C ATOM 185 CD LYS A 16 2.637 22.295 6.739 1.00 0.00 C ATOM 186 CE LYS A 16 3.224 23.159 5.627 1.00 0.00 C ATOM 187 NZ LYS A 16 4.630 23.541 5.896 1.00 0.00 N ATOM 0 H LYS A 16 0.949 21.262 3.634 1.00 0.00 H new ATOM 0 HA LYS A 16 3.314 20.280 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.365 19.932 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.711 19.662 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.843 22.348 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.599 21.797 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.542 22.887 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.319 21.474 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.171 22.617 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.621 24.059 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.864 24.403 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.753 23.719 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.262 22.769 5.601 1.00 0.00 H new ATOM 201 N GLN A 17 2.016 18.375 2.934 1.00 0.00 N ATOM 202 CA GLN A 17 1.981 17.033 2.369 1.00 0.00 C ATOM 203 C GLN A 17 3.378 16.419 2.345 1.00 0.00 C ATOM 204 O GLN A 17 4.356 17.048 2.747 1.00 0.00 O ATOM 205 CB GLN A 17 1.399 17.047 0.947 1.00 0.00 C ATOM 206 CG GLN A 17 -0.120 17.064 0.885 1.00 0.00 C ATOM 207 CD GLN A 17 -0.653 17.059 -0.546 1.00 0.00 C ATOM 208 OE1 GLN A 17 -1.853 17.570 -0.729 1.00 0.00 O flip ATOM 209 NE2 GLN A 17 0.002 16.570 -1.468 1.00 0.00 N flip ATOM 0 H GLN A 17 1.862 19.120 2.255 1.00 0.00 H new ATOM 0 HA GLN A 17 1.337 16.426 3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.781 17.922 0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.762 16.170 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.511 16.196 1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.491 17.949 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.928 16.184 -1.287 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.382 16.551 -2.413 1.00 0.00 H new ATOM 218 N THR A 18 3.463 15.203 1.866 1.00 0.00 N ATOM 219 CA THR A 18 4.729 14.488 1.785 1.00 0.00 C ATOM 220 C THR A 18 4.632 13.400 0.719 1.00 0.00 C ATOM 221 O THR A 18 3.975 12.381 0.927 1.00 0.00 O ATOM 222 CB THR A 18 5.131 13.857 3.145 1.00 0.00 C ATOM 223 OG1 THR A 18 5.195 14.879 4.156 1.00 0.00 O ATOM 224 CG2 THR A 18 6.489 13.170 3.042 1.00 0.00 C ATOM 0 H THR A 18 2.662 14.674 1.520 1.00 0.00 H new ATOM 0 HA THR A 18 5.502 15.209 1.517 1.00 0.00 H new ATOM 0 HB THR A 18 4.379 13.115 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.447 14.476 5.013 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.751 12.735 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.442 12.383 2.289 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.246 13.901 2.756 1.00 0.00 H new ATOM 232 N PRO A 19 5.256 13.615 -0.455 1.00 0.00 N ATOM 233 CA PRO A 19 6.041 14.825 -0.753 1.00 0.00 C ATOM 234 C PRO A 19 5.157 16.059 -0.821 1.00 0.00 C ATOM 235 O PRO A 19 3.939 15.943 -0.997 1.00 0.00 O ATOM 236 CB PRO A 19 6.654 14.533 -2.136 1.00 0.00 C ATOM 237 CG PRO A 19 6.457 13.069 -2.346 1.00 0.00 C ATOM 238 CD PRO A 19 5.214 12.710 -1.593 1.00 0.00 C ATOM 0 HA PRO A 19 6.786 15.032 0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.161 15.113 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.711 14.796 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.352 12.837 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.313 12.503 -1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.318 12.859 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.218 11.666 -1.280 1.00 0.00 H new ATOM 246 N CYS A 20 5.761 17.231 -0.669 1.00 0.00 N ATOM 247 CA CYS A 20 5.022 18.474 -0.682 1.00 0.00 C ATOM 248 C CYS A 20 4.163 18.579 -1.925 1.00 0.00 C ATOM 249 O CYS A 20 4.653 18.482 -3.057 1.00 0.00 O ATOM 250 CB CYS A 20 5.954 19.661 -0.588 1.00 0.00 C ATOM 251 SG CYS A 20 5.112 21.246 -0.660 1.00 0.00 S ATOM 0 H CYS A 20 6.766 17.340 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 20 4.369 18.480 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.514 19.599 0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.680 19.608 -1.400 1.00 0.00 H new ATOM 256 N GLY A 21 2.891 18.786 -1.708 1.00 0.00 N ATOM 257 CA GLY A 21 1.962 18.821 -2.785 1.00 0.00 C ATOM 258 C GLY A 21 1.969 20.139 -3.526 1.00 0.00 C ATOM 259 O GLY A 21 1.498 20.213 -4.648 1.00 0.00 O ATOM 0 H GLY A 21 2.481 18.933 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.192 18.016 -3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.960 18.632 -2.400 1.00 0.00 H new ATOM 263 N CYS A 22 2.531 21.175 -2.922 1.00 0.00 N ATOM 264 CA CYS A 22 2.568 22.496 -3.560 1.00 0.00 C ATOM 265 C CYS A 22 3.359 22.480 -4.875 1.00 0.00 C ATOM 266 O CYS A 22 3.195 23.362 -5.718 1.00 0.00 O ATOM 267 CB CYS A 22 3.156 23.552 -2.618 1.00 0.00 C ATOM 268 SG CYS A 22 2.020 24.169 -1.351 1.00 0.00 S ATOM 0 H CYS A 22 2.966 21.135 -2.000 1.00 0.00 H new ATOM 0 HA CYS A 22 1.535 22.758 -3.788 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.031 23.129 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.503 24.396 -3.215 1.00 0.00 H new ATOM 273 N ALA A 23 4.193 21.470 -5.061 1.00 0.00 N ATOM 274 CA ALA A 23 5.021 21.400 -6.253 1.00 0.00 C ATOM 275 C ALA A 23 4.407 20.537 -7.358 1.00 0.00 C ATOM 276 O ALA A 23 4.859 20.576 -8.492 1.00 0.00 O ATOM 277 CB ALA A 23 6.415 20.905 -5.902 1.00 0.00 C ATOM 0 H ALA A 23 4.314 20.695 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 23 5.086 22.413 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.023 20.858 -6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.876 21.590 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.347 19.912 -5.458 1.00 0.00 H new ATOM 283 N THR A 24 3.380 19.770 -7.037 1.00 0.00 N ATOM 284 CA THR A 24 2.767 18.909 -8.043 1.00 0.00 C ATOM 285 C THR A 24 1.239 19.085 -8.092 1.00 0.00 C ATOM 286 O THR A 24 0.583 18.653 -9.040 1.00 0.00 O ATOM 287 CB THR A 24 3.140 17.416 -7.811 1.00 0.00 C ATOM 288 OG1 THR A 24 2.695 16.608 -8.913 1.00 0.00 O ATOM 289 CG2 THR A 24 2.532 16.892 -6.512 1.00 0.00 C ATOM 0 H THR A 24 2.957 19.722 -6.110 1.00 0.00 H new ATOM 0 HA THR A 24 3.166 19.215 -9.010 1.00 0.00 H new ATOM 0 HB THR A 24 4.226 17.354 -7.736 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.885 17.000 -9.300 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.809 15.847 -6.376 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.906 17.479 -5.673 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.446 16.976 -6.559 1.00 0.00 H new ATOM 297 N SER A 25 0.684 19.718 -7.073 1.00 0.00 N ATOM 298 CA SER A 25 -0.746 19.968 -7.004 1.00 0.00 C ATOM 299 C SER A 25 -1.025 21.449 -7.215 1.00 0.00 C ATOM 300 O SER A 25 -2.009 21.828 -7.863 1.00 0.00 O ATOM 301 CB SER A 25 -1.295 19.534 -5.633 1.00 0.00 C ATOM 302 OG SER A 25 -2.707 19.639 -5.581 1.00 0.00 O ATOM 0 H SER A 25 1.209 20.072 -6.273 1.00 0.00 H new ATOM 0 HA SER A 25 -1.239 19.391 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.998 18.505 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.854 20.153 -4.851 1.00 0.00 H new ATOM 0 HG SER A 25 -3.024 19.355 -4.698 1.00 0.00 H new ATOM 308 N GLY A 26 -0.151 22.284 -6.678 1.00 0.00 N ATOM 309 CA GLY A 26 -0.336 23.705 -6.772 1.00 0.00 C ATOM 310 C GLY A 26 0.136 24.394 -5.523 1.00 0.00 C ATOM 311 O GLY A 26 -0.110 23.919 -4.416 1.00 0.00 O ATOM 0 H GLY A 26 0.688 21.994 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.211 24.090 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.390 23.928 -6.938 1.00 0.00 H new ATOM 315 N CYS A 27 0.820 25.493 -5.694 1.00 0.00 N ATOM 316 CA CYS A 27 1.368 26.228 -4.580 1.00 0.00 C ATOM 317 C CYS A 27 0.329 27.215 -4.051 1.00 0.00 C ATOM 318 O CYS A 27 0.018 28.213 -4.710 1.00 0.00 O ATOM 319 CB CYS A 27 2.621 26.954 -5.040 1.00 0.00 C ATOM 320 SG CYS A 27 3.734 27.408 -3.722 1.00 0.00 S ATOM 0 H CYS A 27 1.014 25.906 -6.606 1.00 0.00 H new ATOM 0 HA CYS A 27 1.629 25.546 -3.771 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.155 26.320 -5.748 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.327 27.855 -5.578 1.00 0.00 H new ATOM 325 N ASN A 28 -0.209 26.946 -2.861 1.00 0.00 N ATOM 326 CA ASN A 28 -1.301 27.754 -2.336 1.00 0.00 C ATOM 327 C ASN A 28 -0.910 28.538 -1.085 1.00 0.00 C ATOM 328 O ASN A 28 -1.696 29.342 -0.593 1.00 0.00 O ATOM 329 CB ASN A 28 -2.498 26.863 -2.005 1.00 0.00 C ATOM 330 CG ASN A 28 -2.954 26.002 -3.162 1.00 0.00 C ATOM 331 OD1 ASN A 28 -2.860 26.389 -4.326 1.00 0.00 O ATOM 332 ND2 ASN A 28 -3.443 24.820 -2.843 1.00 0.00 N ATOM 0 H ASN A 28 0.091 26.185 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.558 28.473 -3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.239 26.219 -1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.328 27.491 -1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.762 24.185 -3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.502 24.540 -1.864 1.00 0.00 H new ATOM 339 N CYS A 29 0.285 28.309 -0.562 1.00 0.00 N ATOM 340 CA CYS A 29 0.704 28.992 0.660 1.00 0.00 C ATOM 341 C CYS A 29 1.170 30.410 0.375 1.00 0.00 C ATOM 342 O CYS A 29 1.011 30.924 -0.734 1.00 0.00 O ATOM 343 CB CYS A 29 1.818 28.225 1.349 1.00 0.00 C ATOM 344 SG CYS A 29 3.245 27.962 0.325 1.00 0.00 S ATOM 0 H CYS A 29 0.974 27.667 -0.954 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.165 29.038 1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.120 28.767 2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.433 27.259 1.676 1.00 0.00 H new ATOM 349 N THR A 30 1.764 31.026 1.374 1.00 0.00 N ATOM 350 CA THR A 30 2.258 32.362 1.260 1.00 0.00 C ATOM 351 C THR A 30 3.650 32.362 0.640 1.00 0.00 C ATOM 352 O THR A 30 4.396 31.389 0.772 1.00 0.00 O ATOM 353 CB THR A 30 2.290 33.036 2.644 1.00 0.00 C ATOM 354 OG1 THR A 30 2.533 32.043 3.661 1.00 0.00 O ATOM 355 CG2 THR A 30 0.969 33.721 2.932 1.00 0.00 C ATOM 0 H THR A 30 1.914 30.603 2.290 1.00 0.00 H new ATOM 0 HA THR A 30 1.589 32.927 0.610 1.00 0.00 H new ATOM 0 HB THR A 30 3.087 33.779 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.678 31.685 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.010 34.192 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.780 34.480 2.173 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.166 32.984 2.916 1.00 0.00 H new ATOM 363 N ASP A 31 3.994 33.446 -0.032 1.00 0.00 N ATOM 364 CA ASP A 31 5.293 33.571 -0.700 1.00 0.00 C ATOM 365 C ASP A 31 6.438 33.518 0.316 1.00 0.00 C ATOM 366 O ASP A 31 7.582 33.220 -0.023 1.00 0.00 O ATOM 367 CB ASP A 31 5.341 34.879 -1.500 1.00 0.00 C ATOM 368 CG ASP A 31 6.658 35.091 -2.213 1.00 0.00 C ATOM 369 OD1 ASP A 31 7.460 35.918 -1.745 1.00 0.00 O ATOM 370 OD2 ASP A 31 6.893 34.435 -3.255 1.00 0.00 O ATOM 0 H ASP A 31 3.392 34.263 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 31 5.416 32.732 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.534 34.880 -2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.161 35.717 -0.826 1.00 0.00 H new ATOM 375 N ASP A 32 6.104 33.781 1.571 1.00 0.00 N ATOM 376 CA ASP A 32 7.076 33.766 2.660 1.00 0.00 C ATOM 377 C ASP A 32 7.448 32.357 3.094 1.00 0.00 C ATOM 378 O ASP A 32 8.252 32.190 4.012 1.00 0.00 O ATOM 379 CB ASP A 32 6.565 34.561 3.857 1.00 0.00 C ATOM 380 CG ASP A 32 6.842 36.035 3.725 1.00 0.00 C ATOM 381 OD1 ASP A 32 7.799 36.522 4.368 1.00 0.00 O ATOM 382 OD2 ASP A 32 6.122 36.713 2.970 1.00 0.00 O ATOM 0 H ASP A 32 5.155 34.011 1.865 1.00 0.00 H new ATOM 0 HA ASP A 32 7.979 34.238 2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.492 34.403 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.034 34.186 4.767 1.00 0.00 H new ATOM 387 N CYS A 33 6.852 31.349 2.458 1.00 0.00 N ATOM 388 CA CYS A 33 7.163 29.960 2.755 1.00 0.00 C ATOM 389 C CYS A 33 8.676 29.681 2.658 1.00 0.00 C ATOM 390 O CYS A 33 9.367 30.201 1.773 1.00 0.00 O ATOM 391 CB CYS A 33 6.401 29.040 1.813 1.00 0.00 C ATOM 392 SG CYS A 33 6.779 27.300 2.047 1.00 0.00 S ATOM 0 H CYS A 33 6.148 31.474 1.731 1.00 0.00 H new ATOM 0 HA CYS A 33 6.854 29.764 3.782 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.331 29.193 1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.629 29.318 0.784 1.00 0.00 H new ATOM 397 N LYS A 34 9.174 28.863 3.577 1.00 0.00 N ATOM 398 CA LYS A 34 10.584 28.516 3.642 1.00 0.00 C ATOM 399 C LYS A 34 10.792 27.043 3.310 1.00 0.00 C ATOM 400 O LYS A 34 11.773 26.435 3.741 1.00 0.00 O ATOM 401 CB LYS A 34 11.114 28.785 5.055 1.00 0.00 C ATOM 402 CG LYS A 34 10.932 30.218 5.537 1.00 0.00 C ATOM 403 CD LYS A 34 11.545 31.220 4.573 1.00 0.00 C ATOM 404 CE LYS A 34 13.006 30.918 4.279 1.00 0.00 C ATOM 405 NZ LYS A 34 13.881 31.130 5.460 1.00 0.00 N ATOM 0 H LYS A 34 8.607 28.421 4.300 1.00 0.00 H new ATOM 0 HA LYS A 34 11.122 29.125 2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.611 28.114 5.752 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.175 28.537 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.869 30.430 5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.390 30.332 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.981 31.216 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.461 32.223 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.099 29.885 3.943 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.347 31.552 3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.865 30.910 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.815 32.121 5.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.576 30.507 6.235 1.00 0.00 H new ATOM 419 N CYS A 35 9.886 26.475 2.550 1.00 0.00 N ATOM 420 CA CYS A 35 9.955 25.065 2.240 1.00 0.00 C ATOM 421 C CYS A 35 10.843 24.792 1.031 1.00 0.00 C ATOM 422 O CYS A 35 10.679 25.399 -0.033 1.00 0.00 O ATOM 423 CB CYS A 35 8.556 24.499 2.017 1.00 0.00 C ATOM 424 SG CYS A 35 8.496 22.699 1.951 1.00 0.00 S ATOM 0 H CYS A 35 9.094 26.965 2.135 1.00 0.00 H new ATOM 0 HA CYS A 35 10.406 24.563 3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.903 24.845 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.157 24.900 1.085 1.00 0.00 H new ATOM 429 N GLN A 36 11.776 23.849 1.197 1.00 0.00 N ATOM 430 CA GLN A 36 12.704 23.470 0.131 1.00 0.00 C ATOM 431 C GLN A 36 12.044 22.506 -0.861 1.00 0.00 C ATOM 432 O GLN A 36 12.720 21.697 -1.497 1.00 0.00 O ATOM 433 CB GLN A 36 13.993 22.829 0.714 1.00 0.00 C ATOM 434 CG GLN A 36 13.759 21.589 1.592 1.00 0.00 C ATOM 435 CD GLN A 36 15.043 20.787 1.865 1.00 0.00 C ATOM 436 OE1 GLN A 36 14.999 19.576 2.067 1.00 0.00 O ATOM 437 NE2 GLN A 36 16.176 21.460 1.863 1.00 0.00 N ATOM 0 H GLN A 36 11.907 23.332 2.066 1.00 0.00 H new ATOM 0 HA GLN A 36 12.978 24.381 -0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.649 22.553 -0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.520 23.579 1.303 1.00 0.00 H new ATOM 0 HG2 GLN A 36 13.325 21.901 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 36 13.030 20.940 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.172 22.465 1.691 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.057 20.975 2.033 1.00 0.00 H new ATOM 446 N SER A 37 10.732 22.598 -1.001 1.00 0.00 N ATOM 447 CA SER A 37 10.024 21.726 -1.907 1.00 0.00 C ATOM 448 C SER A 37 9.182 22.518 -2.918 1.00 0.00 C ATOM 449 O SER A 37 9.161 22.184 -4.094 1.00 0.00 O ATOM 450 CB SER A 37 9.159 20.734 -1.133 1.00 0.00 C ATOM 451 OG SER A 37 8.759 19.651 -1.959 1.00 0.00 O ATOM 0 H SER A 37 10.144 23.264 -0.500 1.00 0.00 H new ATOM 0 HA SER A 37 10.767 21.166 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.714 20.355 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.277 21.243 -0.743 1.00 0.00 H new ATOM 0 HG SER A 37 8.648 18.846 -1.412 1.00 0.00 H new ATOM 457 N CYS A 38 8.491 23.562 -2.470 1.00 0.00 N ATOM 458 CA CYS A 38 7.692 24.359 -3.391 1.00 0.00 C ATOM 459 C CYS A 38 8.471 25.572 -3.887 1.00 0.00 C ATOM 460 O CYS A 38 8.210 26.095 -4.975 1.00 0.00 O ATOM 461 CB CYS A 38 6.352 24.764 -2.761 1.00 0.00 C ATOM 462 SG CYS A 38 6.454 25.343 -1.053 1.00 0.00 S ATOM 0 H CYS A 38 8.468 23.870 -1.498 1.00 0.00 H new ATOM 0 HA CYS A 38 7.466 23.739 -4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.905 25.550 -3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.677 23.909 -2.799 1.00 0.00 H new ATOM 467 N LYS A 39 9.440 26.005 -3.096 1.00 0.00 N ATOM 468 CA LYS A 39 10.292 27.119 -3.469 1.00 0.00 C ATOM 469 C LYS A 39 11.732 26.644 -3.602 1.00 0.00 C ATOM 470 O LYS A 39 12.592 27.002 -2.804 1.00 0.00 O ATOM 471 CB LYS A 39 10.209 28.276 -2.449 1.00 0.00 C ATOM 472 CG LYS A 39 8.919 29.105 -2.502 1.00 0.00 C ATOM 473 CD LYS A 39 7.736 28.345 -1.942 1.00 0.00 C ATOM 474 CE LYS A 39 6.488 29.205 -1.857 1.00 0.00 C ATOM 475 NZ LYS A 39 5.928 29.499 -3.188 1.00 0.00 N ATOM 0 H LYS A 39 9.655 25.598 -2.186 1.00 0.00 H new ATOM 0 HA LYS A 39 9.940 27.501 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.315 27.863 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.056 28.942 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.057 30.028 -1.939 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.712 29.389 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.534 27.477 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.985 27.970 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.737 28.696 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.726 30.140 -1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.758 30.521 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.600 29.196 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.031 28.987 -3.308 1.00 0.00 H new ATOM 489 N TYR A 40 11.969 25.794 -4.591 1.00 0.00 N ATOM 490 CA TYR A 40 13.307 25.261 -4.850 1.00 0.00 C ATOM 491 C TYR A 40 14.279 26.339 -5.267 1.00 0.00 C ATOM 492 O TYR A 40 15.127 26.774 -4.489 1.00 0.00 O ATOM 493 CB TYR A 40 13.267 24.160 -5.913 1.00 0.00 C ATOM 494 CG TYR A 40 13.239 22.760 -5.351 1.00 0.00 C ATOM 495 CD1 TYR A 40 12.064 22.028 -5.306 1.00 0.00 C ATOM 496 CD2 TYR A 40 14.399 22.168 -4.869 1.00 0.00 C ATOM 497 CE1 TYR A 40 12.043 20.745 -4.796 1.00 0.00 C ATOM 498 CE2 TYR A 40 14.387 20.889 -4.359 1.00 0.00 C ATOM 499 CZ TYR A 40 13.206 20.181 -4.325 1.00 0.00 C ATOM 500 OH TYR A 40 13.191 18.906 -3.815 1.00 0.00 O ATOM 0 H TYR A 40 11.252 25.455 -5.232 1.00 0.00 H new ATOM 0 HA TYR A 40 13.659 24.836 -3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 40 12.387 24.306 -6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.138 24.263 -6.560 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.150 22.468 -5.676 1.00 0.00 H new ATOM 0 HD2 TYR A 40 15.327 22.720 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.119 20.187 -4.767 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.298 20.444 -3.988 1.00 0.00 H new ATOM 0 HH TYR A 40 13.489 18.924 -2.882 1.00 0.00 H new ATOM 510 N GLY A 41 14.167 26.736 -6.496 1.00 0.00 N ATOM 511 CA GLY A 41 15.040 27.749 -7.046 1.00 0.00 C ATOM 512 C GLY A 41 16.310 27.148 -7.608 1.00 0.00 C ATOM 513 O GLY A 41 16.700 27.440 -8.734 1.00 0.00 O ATOM 0 H GLY A 41 13.474 26.375 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.516 28.293 -7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.292 28.472 -6.271 1.00 0.00 H new ATOM 517 N ALA A 42 16.940 26.292 -6.825 1.00 0.00 N ATOM 518 CA ALA A 42 18.175 25.642 -7.227 1.00 0.00 C ATOM 519 C ALA A 42 17.935 24.199 -7.661 1.00 0.00 C ATOM 520 O ALA A 42 18.878 23.444 -7.878 1.00 0.00 O ATOM 521 CB ALA A 42 19.171 25.682 -6.082 1.00 0.00 C ATOM 0 H ALA A 42 16.612 26.028 -5.896 1.00 0.00 H new ATOM 0 HA ALA A 42 18.578 26.183 -8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.096 25.193 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 42 19.379 26.719 -5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.754 25.163 -5.219 1.00 0.00 H new ATOM 527 N GLY A 43 16.675 23.816 -7.807 1.00 0.00 N ATOM 528 CA GLY A 43 16.392 22.450 -8.187 1.00 0.00 C ATOM 529 C GLY A 43 15.320 22.298 -9.239 1.00 0.00 C ATOM 530 O GLY A 43 15.307 21.313 -9.964 1.00 0.00 O ATOM 0 H GLY A 43 15.859 24.413 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.310 21.992 -8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.092 21.895 -7.298 1.00 0.00 H new ATOM 534 N CYS A 44 14.470 23.284 -9.370 1.00 0.00 N ATOM 535 CA CYS A 44 13.316 23.173 -10.262 1.00 0.00 C ATOM 536 C CYS A 44 13.165 24.374 -11.170 1.00 0.00 C ATOM 537 O CYS A 44 14.032 25.249 -11.225 1.00 0.00 O ATOM 538 CB CYS A 44 12.031 22.997 -9.452 1.00 0.00 C ATOM 539 SG CYS A 44 11.879 21.408 -8.640 1.00 0.00 S ATOM 0 H CYS A 44 14.544 24.174 -8.878 1.00 0.00 H new ATOM 0 HA CYS A 44 13.491 22.298 -10.888 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.981 23.783 -8.698 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.177 23.136 -10.114 1.00 0.00 H new ATOM 544 N THR A 45 12.047 24.396 -11.872 1.00 0.00 N ATOM 545 CA THR A 45 11.701 25.454 -12.770 1.00 0.00 C ATOM 546 C THR A 45 10.201 25.723 -12.646 1.00 0.00 C ATOM 547 O THR A 45 9.503 25.032 -11.896 1.00 0.00 O ATOM 548 CB THR A 45 12.071 25.097 -14.239 1.00 0.00 C ATOM 549 OG1 THR A 45 11.728 26.173 -15.121 1.00 0.00 O ATOM 550 CG2 THR A 45 11.364 23.823 -14.688 1.00 0.00 C ATOM 0 H THR A 45 11.346 23.656 -11.824 1.00 0.00 H new ATOM 0 HA THR A 45 12.266 26.348 -12.505 1.00 0.00 H new ATOM 0 HB THR A 45 13.148 24.931 -14.278 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.969 25.932 -16.040 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.641 23.597 -15.718 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.660 22.996 -14.043 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.285 23.964 -14.625 1.00 0.00 H new ATOM 558 N ASP A 46 9.708 26.684 -13.389 1.00 0.00 N ATOM 559 CA ASP A 46 8.305 27.081 -13.306 1.00 0.00 C ATOM 560 C ASP A 46 7.415 26.115 -14.100 1.00 0.00 C ATOM 561 O ASP A 46 6.190 26.211 -14.084 1.00 0.00 O ATOM 562 CB ASP A 46 8.143 28.516 -13.824 1.00 0.00 C ATOM 563 CG ASP A 46 6.876 29.184 -13.333 1.00 0.00 C ATOM 564 OD1 ASP A 46 5.931 29.344 -14.128 1.00 0.00 O ATOM 565 OD2 ASP A 46 6.823 29.563 -12.146 1.00 0.00 O ATOM 0 H ASP A 46 10.255 27.215 -14.066 1.00 0.00 H new ATOM 0 HA ASP A 46 7.990 27.042 -12.263 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.003 29.108 -13.512 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.142 28.505 -14.914 1.00 0.00 H new ATOM 570 N THR A 47 8.046 25.175 -14.769 1.00 0.00 N ATOM 571 CA THR A 47 7.352 24.205 -15.592 1.00 0.00 C ATOM 572 C THR A 47 7.077 22.902 -14.812 1.00 0.00 C ATOM 573 O THR A 47 6.061 22.245 -15.019 1.00 0.00 O ATOM 574 CB THR A 47 8.196 23.883 -16.841 1.00 0.00 C ATOM 575 OG1 THR A 47 8.836 25.082 -17.300 1.00 0.00 O ATOM 576 CG2 THR A 47 7.328 23.328 -17.954 1.00 0.00 C ATOM 0 H THR A 47 9.059 25.060 -14.758 1.00 0.00 H new ATOM 0 HA THR A 47 6.396 24.637 -15.888 1.00 0.00 H new ATOM 0 HB THR A 47 8.940 23.133 -16.572 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.375 24.882 -18.093 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.947 23.109 -18.824 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.842 22.413 -17.615 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.569 24.063 -18.225 1.00 0.00 H new ATOM 584 N CYS A 48 7.977 22.556 -13.903 1.00 0.00 N ATOM 585 CA CYS A 48 7.864 21.314 -13.129 1.00 0.00 C ATOM 586 C CYS A 48 6.748 21.395 -12.083 1.00 0.00 C ATOM 587 O CYS A 48 6.109 20.399 -11.761 1.00 0.00 O ATOM 588 CB CYS A 48 9.202 21.002 -12.450 1.00 0.00 C ATOM 589 SG CYS A 48 9.170 19.571 -11.351 1.00 0.00 S ATOM 0 H CYS A 48 8.799 23.116 -13.678 1.00 0.00 H new ATOM 0 HA CYS A 48 7.608 20.511 -13.820 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.955 20.836 -13.220 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.517 21.875 -11.879 1.00 0.00 H new ATOM 594 N LYS A 49 6.496 22.598 -11.597 1.00 0.00 N ATOM 595 CA LYS A 49 5.507 22.835 -10.536 1.00 0.00 C ATOM 596 C LYS A 49 4.056 22.666 -11.022 1.00 0.00 C ATOM 597 O LYS A 49 3.109 22.932 -10.268 1.00 0.00 O ATOM 598 CB LYS A 49 5.691 24.240 -9.994 1.00 0.00 C ATOM 599 CG LYS A 49 5.476 25.305 -11.050 1.00 0.00 C ATOM 600 CD LYS A 49 5.760 26.688 -10.525 1.00 0.00 C ATOM 601 CE LYS A 49 4.778 27.096 -9.433 1.00 0.00 C ATOM 602 NZ LYS A 49 4.922 28.526 -9.069 1.00 0.00 N ATOM 0 H LYS A 49 6.966 23.444 -11.920 1.00 0.00 H new ATOM 0 HA LYS A 49 5.676 22.088 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.994 24.403 -9.172 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.696 24.338 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.121 25.103 -11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.448 25.258 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.776 26.725 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.709 27.405 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.759 26.908 -9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.939 26.478 -8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.237 28.765 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.887 28.700 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.743 29.117 -9.906 1.00 0.00 H new ATOM 616 N GLN A 50 3.887 22.257 -12.266 1.00 0.00 N ATOM 617 CA GLN A 50 2.566 22.076 -12.835 1.00 0.00 C ATOM 618 C GLN A 50 1.934 20.748 -12.403 1.00 0.00 C ATOM 619 O GLN A 50 2.435 20.073 -11.506 1.00 0.00 O ATOM 620 CB GLN A 50 2.646 22.173 -14.340 1.00 0.00 C ATOM 621 CG GLN A 50 3.188 23.505 -14.784 1.00 0.00 C ATOM 622 CD GLN A 50 2.933 23.790 -16.228 1.00 0.00 C ATOM 623 OE1 GLN A 50 1.969 23.303 -16.813 1.00 0.00 O ATOM 624 NE2 GLN A 50 3.772 24.594 -16.808 1.00 0.00 N ATOM 0 H GLN A 50 4.653 22.043 -12.904 1.00 0.00 H new ATOM 0 HA GLN A 50 1.920 22.869 -12.458 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.283 21.375 -14.723 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.655 22.023 -14.768 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.739 24.293 -14.180 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.262 23.534 -14.598 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.559 24.975 -16.283 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.644 24.844 -17.788 1.00 0.00 H new ATOM 633 N THR A 51 0.833 20.389 -13.037 1.00 0.00 N ATOM 634 CA THR A 51 0.128 19.162 -12.714 1.00 0.00 C ATOM 635 C THR A 51 -0.289 18.413 -13.993 1.00 0.00 C ATOM 636 O THR A 51 -1.008 18.958 -14.830 1.00 0.00 O ATOM 637 CB THR A 51 -1.129 19.454 -11.865 1.00 0.00 C ATOM 638 OG1 THR A 51 -0.767 20.250 -10.727 1.00 0.00 O ATOM 639 CG2 THR A 51 -1.773 18.159 -11.389 1.00 0.00 C ATOM 0 H THR A 51 0.405 20.935 -13.785 1.00 0.00 H new ATOM 0 HA THR A 51 0.811 18.537 -12.139 1.00 0.00 H new ATOM 0 HB THR A 51 -1.845 19.994 -12.484 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.069 19.791 -10.215 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.656 18.389 -10.793 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.063 17.559 -12.251 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.061 17.600 -10.781 1.00 0.00 H new ATOM 647 N PRO A 52 0.187 17.159 -14.174 1.00 0.00 N ATOM 648 CA PRO A 52 1.119 16.508 -13.237 1.00 0.00 C ATOM 649 C PRO A 52 2.497 17.159 -13.274 1.00 0.00 C ATOM 650 O PRO A 52 3.141 17.336 -12.242 1.00 0.00 O ATOM 651 CB PRO A 52 1.202 15.057 -13.748 1.00 0.00 C ATOM 652 CG PRO A 52 0.057 14.908 -14.698 1.00 0.00 C ATOM 653 CD PRO A 52 -0.179 16.264 -15.284 1.00 0.00 C ATOM 0 HA PRO A 52 0.780 16.584 -12.204 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.153 14.869 -14.246 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.126 14.345 -12.926 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.290 14.182 -15.477 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.833 14.547 -14.182 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.438 16.438 -16.166 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.217 16.399 -15.589 1.00 0.00 H new ATOM 661 N CYS A 53 2.936 17.496 -14.472 1.00 0.00 N ATOM 662 CA CYS A 53 4.192 18.185 -14.678 1.00 0.00 C ATOM 663 C CYS A 53 4.197 18.824 -16.053 1.00 0.00 C ATOM 664 O CYS A 53 3.702 18.239 -17.012 1.00 0.00 O ATOM 665 CB CYS A 53 5.361 17.216 -14.555 1.00 0.00 C ATOM 666 SG CYS A 53 6.991 18.006 -14.613 1.00 0.00 S ATOM 0 H CYS A 53 2.427 17.297 -15.333 1.00 0.00 H new ATOM 0 HA CYS A 53 4.300 18.956 -13.915 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.268 16.669 -13.617 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.296 16.483 -15.359 1.00 0.00 H new ATOM 671 N GLY A 54 4.728 20.028 -16.150 1.00 0.00 N ATOM 672 CA GLY A 54 4.784 20.693 -17.427 1.00 0.00 C ATOM 673 C GLY A 54 5.997 20.292 -18.243 1.00 0.00 C ATOM 674 O GLY A 54 5.973 20.376 -19.468 1.00 0.00 O ATOM 0 H GLY A 54 5.120 20.555 -15.370 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.880 20.464 -17.991 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.797 21.772 -17.270 1.00 0.00 H new ATOM 678 N CYS A 55 7.061 19.856 -17.563 1.00 0.00 N ATOM 679 CA CYS A 55 8.285 19.455 -18.238 1.00 0.00 C ATOM 680 C CYS A 55 8.043 18.268 -19.157 1.00 0.00 C ATOM 681 O CYS A 55 8.074 18.399 -20.381 1.00 0.00 O ATOM 682 CB CYS A 55 9.363 19.089 -17.221 1.00 0.00 C ATOM 683 SG CYS A 55 9.986 20.457 -16.232 1.00 0.00 S ATOM 0 H CYS A 55 7.093 19.774 -16.547 1.00 0.00 H new ATOM 0 HA CYS A 55 8.620 20.302 -18.836 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.962 18.330 -16.549 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.200 18.635 -17.751 1.00 0.00 H new ATOM 688 N GLY A 56 7.786 17.117 -18.557 1.00 0.00 N ATOM 689 CA GLY A 56 7.604 15.904 -19.324 1.00 0.00 C ATOM 690 C GLY A 56 8.860 15.543 -20.091 1.00 0.00 C ATOM 691 O GLY A 56 9.859 15.121 -19.501 1.00 0.00 O ATOM 0 H GLY A 56 7.700 17.001 -17.547 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.336 15.086 -18.656 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.775 16.032 -20.020 1.00 0.00 H new ATOM 695 N SER A 57 8.819 15.736 -21.394 1.00 0.00 N ATOM 696 CA SER A 57 9.959 15.464 -22.249 1.00 0.00 C ATOM 697 C SER A 57 10.755 16.754 -22.484 1.00 0.00 C ATOM 698 O SER A 57 11.892 16.728 -22.960 1.00 0.00 O ATOM 699 CB SER A 57 9.479 14.865 -23.584 1.00 0.00 C ATOM 700 OG SER A 57 10.565 14.501 -24.421 1.00 0.00 O ATOM 0 H SER A 57 7.998 16.084 -21.889 1.00 0.00 H new ATOM 0 HA SER A 57 10.613 14.741 -21.762 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.862 13.988 -23.388 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.849 15.589 -24.101 1.00 0.00 H new ATOM 0 HG SER A 57 10.221 14.124 -25.257 1.00 0.00 H new ATOM 706 N GLY A 58 10.159 17.870 -22.109 1.00 0.00 N ATOM 707 CA GLY A 58 10.788 19.161 -22.295 1.00 0.00 C ATOM 708 C GLY A 58 11.072 19.832 -20.976 1.00 0.00 C ATOM 709 O GLY A 58 10.403 20.794 -20.598 1.00 0.00 O ATOM 0 H GLY A 58 9.238 17.907 -21.673 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.718 19.037 -22.849 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.141 19.799 -22.897 1.00 0.00 H new ATOM 713 N CYS A 59 12.052 19.317 -20.278 1.00 0.00 N ATOM 714 CA CYS A 59 12.425 19.813 -18.966 1.00 0.00 C ATOM 715 C CYS A 59 13.334 21.043 -19.052 1.00 0.00 C ATOM 716 O CYS A 59 14.006 21.264 -20.064 1.00 0.00 O ATOM 717 CB CYS A 59 13.095 18.688 -18.189 1.00 0.00 C ATOM 718 SG CYS A 59 14.045 19.219 -16.764 1.00 0.00 S ATOM 0 H CYS A 59 12.622 18.535 -20.602 1.00 0.00 H new ATOM 0 HA CYS A 59 11.524 20.135 -18.444 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.328 17.988 -17.856 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.754 18.142 -18.864 1.00 0.00 H new ATOM 723 N ASN A 60 13.334 21.846 -17.984 1.00 0.00 N ATOM 724 CA ASN A 60 14.152 23.057 -17.921 1.00 0.00 C ATOM 725 C ASN A 60 14.517 23.384 -16.456 1.00 0.00 C ATOM 726 O ASN A 60 14.695 24.545 -16.088 1.00 0.00 O ATOM 727 CB ASN A 60 13.393 24.235 -18.559 1.00 0.00 C ATOM 728 CG ASN A 60 14.272 25.457 -18.805 1.00 0.00 C ATOM 729 OD1 ASN A 60 15.532 25.231 -19.134 1.00 0.00 O flip ATOM 730 ND2 ASN A 60 13.811 26.595 -18.716 1.00 0.00 N flip ATOM 0 H ASN A 60 12.774 21.677 -17.149 1.00 0.00 H new ATOM 0 HA ASN A 60 15.075 22.889 -18.476 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.961 23.910 -19.506 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.563 24.517 -17.911 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.833 26.730 -18.460 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.407 27.402 -18.899 1.00 0.00 H new ATOM 737 N CYS A 61 14.635 22.349 -15.633 1.00 0.00 N ATOM 738 CA CYS A 61 14.970 22.520 -14.210 1.00 0.00 C ATOM 739 C CYS A 61 16.436 22.865 -13.992 1.00 0.00 C ATOM 740 O CYS A 61 17.184 23.126 -14.937 1.00 0.00 O ATOM 741 CB CYS A 61 14.632 21.260 -13.428 1.00 0.00 C ATOM 742 SG CYS A 61 12.892 21.086 -13.035 1.00 0.00 S ATOM 0 H CYS A 61 14.505 21.379 -15.919 1.00 0.00 H new ATOM 0 HA CYS A 61 14.372 23.357 -13.849 1.00 0.00 H new ATOM 0 HB2 CYS A 61 14.952 20.391 -14.004 1.00 0.00 H new ATOM 0 HB3 CYS A 61 15.205 21.256 -12.501 1.00 0.00 H new ATOM 747 N LYS A 62 16.838 22.861 -12.730 1.00 0.00 N ATOM 748 CA LYS A 62 18.198 23.166 -12.355 1.00 0.00 C ATOM 749 C LYS A 62 19.009 21.877 -12.279 1.00 0.00 C ATOM 750 O LYS A 62 19.782 21.575 -13.194 1.00 0.00 O ATOM 751 CB LYS A 62 18.222 23.907 -11.014 1.00 0.00 C ATOM 752 CG LYS A 62 17.618 25.313 -11.055 1.00 0.00 C ATOM 753 CD LYS A 62 18.550 26.338 -11.719 1.00 0.00 C ATOM 754 CE LYS A 62 19.818 26.567 -10.917 1.00 0.00 C ATOM 755 NZ LYS A 62 20.727 27.520 -11.596 1.00 0.00 N ATOM 0 H LYS A 62 16.226 22.646 -11.943 1.00 0.00 H new ATOM 0 HA LYS A 62 18.645 23.815 -13.108 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.681 23.314 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 62 19.254 23.979 -10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.673 25.283 -11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.393 25.637 -10.039 1.00 0.00 H new ATOM 0 HD2 LYS A 62 18.812 25.993 -12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.021 27.284 -11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.561 26.949 -9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.331 25.617 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.583 27.653 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.992 27.143 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.245 28.434 -11.716 1.00 0.00 H new ATOM 769 N GLU A 63 18.800 21.096 -11.202 1.00 0.00 N ATOM 770 CA GLU A 63 19.495 19.812 -11.031 1.00 0.00 C ATOM 771 C GLU A 63 19.079 19.103 -9.725 1.00 0.00 C ATOM 772 O GLU A 63 19.124 17.881 -9.637 1.00 0.00 O ATOM 773 CB GLU A 63 21.016 20.007 -11.075 1.00 0.00 C ATOM 774 CG GLU A 63 21.781 18.755 -11.467 1.00 0.00 C ATOM 775 CD GLU A 63 23.221 19.041 -11.838 1.00 0.00 C ATOM 776 OE1 GLU A 63 23.502 19.250 -13.034 1.00 0.00 O ATOM 777 OE2 GLU A 63 24.077 19.041 -10.937 1.00 0.00 O ATOM 0 H GLU A 63 18.160 21.332 -10.444 1.00 0.00 H new ATOM 0 HA GLU A 63 19.200 19.171 -11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 63 21.251 20.802 -11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 63 21.359 20.340 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 63 21.757 18.046 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 63 21.281 18.278 -12.310 1.00 0.00 H new ATOM 784 N ASP A 64 18.657 19.872 -8.725 1.00 0.00 N ATOM 785 CA ASP A 64 18.238 19.298 -7.422 1.00 0.00 C ATOM 786 C ASP A 64 16.761 18.906 -7.463 1.00 0.00 C ATOM 787 O ASP A 64 16.027 19.081 -6.496 1.00 0.00 O ATOM 788 CB ASP A 64 18.463 20.311 -6.291 1.00 0.00 C ATOM 789 CG ASP A 64 18.732 19.638 -4.952 1.00 0.00 C ATOM 790 OD1 ASP A 64 19.872 19.184 -4.742 1.00 0.00 O ATOM 791 OD2 ASP A 64 17.814 19.575 -4.097 1.00 0.00 O ATOM 0 H ASP A 64 18.591 20.889 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 64 18.842 18.410 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 64 19.305 20.955 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 64 17.586 20.953 -6.202 1.00 0.00 H new ATOM 796 N CYS A 65 16.347 18.356 -8.578 1.00 0.00 N ATOM 797 CA CYS A 65 14.952 17.993 -8.777 1.00 0.00 C ATOM 798 C CYS A 65 14.676 16.593 -8.242 1.00 0.00 C ATOM 799 O CYS A 65 15.479 15.679 -8.433 1.00 0.00 O ATOM 800 CB CYS A 65 14.593 18.083 -10.265 1.00 0.00 C ATOM 801 SG CYS A 65 12.872 17.666 -10.658 1.00 0.00 S ATOM 0 H CYS A 65 16.955 18.146 -9.370 1.00 0.00 H new ATOM 0 HA CYS A 65 14.328 18.694 -8.223 1.00 0.00 H new ATOM 0 HB2 CYS A 65 14.795 19.096 -10.613 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.250 17.417 -10.824 1.00 0.00 H new ATOM 806 N ARG A 66 13.547 16.438 -7.558 1.00 0.00 N ATOM 807 CA ARG A 66 13.145 15.150 -6.982 1.00 0.00 C ATOM 808 C ARG A 66 11.989 14.556 -7.734 1.00 0.00 C ATOM 809 O ARG A 66 11.406 13.557 -7.316 1.00 0.00 O ATOM 810 CB ARG A 66 12.760 15.317 -5.524 1.00 0.00 C ATOM 811 CG ARG A 66 13.936 15.466 -4.611 1.00 0.00 C ATOM 812 CD ARG A 66 13.508 15.846 -3.214 1.00 0.00 C ATOM 813 NE ARG A 66 14.659 15.902 -2.300 1.00 0.00 N ATOM 814 CZ ARG A 66 15.704 16.757 -2.407 1.00 0.00 C ATOM 815 NH1 ARG A 66 15.740 17.686 -3.377 1.00 0.00 N ATOM 816 NH2 ARG A 66 16.699 16.683 -1.534 1.00 0.00 N ATOM 0 H ARG A 66 12.885 17.194 -7.385 1.00 0.00 H new ATOM 0 HA ARG A 66 13.998 14.476 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.118 16.192 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.173 14.454 -5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.494 14.530 -4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.610 16.226 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.010 16.815 -3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.782 15.122 -2.844 1.00 0.00 H new ATOM 0 HE ARG A 66 14.671 15.243 -1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.973 17.755 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.534 18.323 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.673 15.986 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.490 17.323 -1.607 1.00 0.00 H new ATOM 830 N CYS A 67 11.651 15.164 -8.831 1.00 0.00 N ATOM 831 CA CYS A 67 10.557 14.700 -9.614 1.00 0.00 C ATOM 832 C CYS A 67 11.026 13.717 -10.655 1.00 0.00 C ATOM 833 O CYS A 67 12.000 13.961 -11.346 1.00 0.00 O ATOM 834 CB CYS A 67 9.874 15.848 -10.287 1.00 0.00 C ATOM 835 SG CYS A 67 8.469 15.331 -11.239 1.00 0.00 S ATOM 0 H CYS A 67 12.124 15.988 -9.202 1.00 0.00 H new ATOM 0 HA CYS A 67 9.853 14.202 -8.947 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.555 16.570 -9.535 1.00 0.00 H new ATOM 0 HB3 CYS A 67 10.583 16.359 -10.938 1.00 0.00 H new ATOM 840 N GLN A 68 10.322 12.616 -10.792 1.00 0.00 N ATOM 841 CA GLN A 68 10.713 11.609 -11.750 1.00 0.00 C ATOM 842 C GLN A 68 9.894 11.722 -13.020 1.00 0.00 C ATOM 843 O GLN A 68 10.081 10.950 -13.963 1.00 0.00 O ATOM 844 CB GLN A 68 10.567 10.222 -11.164 1.00 0.00 C ATOM 845 CG GLN A 68 9.132 9.809 -10.900 1.00 0.00 C ATOM 846 CD GLN A 68 8.795 9.738 -9.431 1.00 0.00 C ATOM 847 OE1 GLN A 68 9.444 10.553 -8.624 1.00 0.00 O flip ATOM 848 NE2 GLN A 68 7.945 8.953 -9.019 1.00 0.00 N flip ATOM 0 H GLN A 68 9.482 12.397 -10.256 1.00 0.00 H new ATOM 0 HA GLN A 68 11.762 11.776 -11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.022 9.502 -11.845 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.126 10.174 -10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 68 8.461 10.518 -11.386 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.951 8.835 -11.355 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.462 8.336 -9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.723 8.918 -8.024 1.00 0.00 H new ATOM 857 N SER A 69 8.997 12.692 -13.055 1.00 0.00 N ATOM 858 CA SER A 69 8.155 12.890 -14.199 1.00 0.00 C ATOM 859 C SER A 69 8.976 13.473 -15.327 1.00 0.00 C ATOM 860 O SER A 69 8.757 13.166 -16.495 1.00 0.00 O ATOM 861 CB SER A 69 6.996 13.823 -13.847 1.00 0.00 C ATOM 862 OG SER A 69 6.324 13.385 -12.673 1.00 0.00 O ATOM 0 H SER A 69 8.840 13.353 -12.294 1.00 0.00 H new ATOM 0 HA SER A 69 7.740 11.933 -14.514 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.372 14.835 -13.698 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.292 13.864 -14.679 1.00 0.00 H new ATOM 0 HG SER A 69 6.720 13.818 -11.888 1.00 0.00 H new ATOM 868 N CYS A 70 9.945 14.297 -14.970 1.00 0.00 N ATOM 869 CA CYS A 70 10.776 14.921 -15.959 1.00 0.00 C ATOM 870 C CYS A 70 12.221 14.433 -15.892 1.00 0.00 C ATOM 871 O CYS A 70 12.931 14.479 -16.899 1.00 0.00 O ATOM 872 CB CYS A 70 10.721 16.421 -15.822 1.00 0.00 C ATOM 873 SG CYS A 70 11.381 17.038 -14.273 1.00 0.00 S ATOM 0 H CYS A 70 10.168 14.543 -14.005 1.00 0.00 H new ATOM 0 HA CYS A 70 10.384 14.636 -16.935 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.275 16.871 -16.646 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.685 16.746 -15.919 1.00 0.00 H new ATOM 878 N SER A 71 12.668 13.990 -14.702 1.00 0.00 N ATOM 879 CA SER A 71 14.029 13.466 -14.559 1.00 0.00 C ATOM 880 C SER A 71 14.296 12.374 -15.570 1.00 0.00 C ATOM 881 O SER A 71 13.462 11.483 -15.773 1.00 0.00 O ATOM 882 CB SER A 71 14.286 12.952 -13.147 1.00 0.00 C ATOM 883 OG SER A 71 14.370 14.022 -12.228 1.00 0.00 O ATOM 0 H SER A 71 12.116 13.986 -13.845 1.00 0.00 H new ATOM 0 HA SER A 71 14.715 14.292 -14.747 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.485 12.275 -12.851 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.212 12.377 -13.128 1.00 0.00 H new ATOM 0 HG SER A 71 13.619 13.973 -11.600 1.00 0.00 H new ATOM 889 N THR A 72 15.459 12.441 -16.196 1.00 0.00 N ATOM 890 CA THR A 72 15.808 11.484 -17.238 1.00 0.00 C ATOM 891 C THR A 72 15.995 10.077 -16.664 1.00 0.00 C ATOM 892 O THR A 72 15.923 9.876 -15.441 1.00 0.00 O ATOM 893 CB THR A 72 17.066 11.930 -18.043 1.00 0.00 C ATOM 894 OG1 THR A 72 17.205 11.133 -19.230 1.00 0.00 O ATOM 895 CG2 THR A 72 18.330 11.813 -17.205 1.00 0.00 C ATOM 0 H THR A 72 16.175 13.142 -16.004 1.00 0.00 H new ATOM 0 HA THR A 72 14.970 11.455 -17.935 1.00 0.00 H new ATOM 0 HB THR A 72 16.929 12.976 -18.318 1.00 0.00 H new ATOM 0 HG1 THR A 72 17.997 11.423 -19.728 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.189 12.132 -17.796 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.241 12.447 -16.322 1.00 0.00 H new ATOM 0 HG23 THR A 72 18.467 10.777 -16.895 1.00 0.00 H new ATOM 903 N ALA A 73 16.219 9.118 -17.548 1.00 0.00 N ATOM 904 CA ALA A 73 16.351 7.722 -17.178 1.00 0.00 C ATOM 905 C ALA A 73 17.327 7.508 -16.030 1.00 0.00 C ATOM 906 O ALA A 73 18.495 7.895 -16.094 1.00 0.00 O ATOM 907 CB ALA A 73 16.743 6.886 -18.376 1.00 0.00 C ATOM 0 H ALA A 73 16.315 9.290 -18.549 1.00 0.00 H new ATOM 0 HA ALA A 73 15.373 7.397 -16.824 1.00 0.00 H new ATOM 0 HB1 ALA A 73 16.837 5.842 -18.076 1.00 0.00 H new ATOM 0 HB2 ALA A 73 15.978 6.975 -19.148 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.697 7.238 -18.769 1.00 0.00 H new ATOM 913 N CYS A 74 16.812 6.920 -14.976 1.00 0.00 N ATOM 914 CA CYS A 74 17.588 6.578 -13.800 1.00 0.00 C ATOM 915 C CYS A 74 18.582 5.469 -14.153 1.00 0.00 C ATOM 916 O CYS A 74 18.328 4.674 -15.060 1.00 0.00 O ATOM 917 CB CYS A 74 16.625 6.100 -12.700 1.00 0.00 C ATOM 918 SG CYS A 74 17.346 5.868 -11.074 1.00 0.00 S ATOM 0 H CYS A 74 15.828 6.661 -14.907 1.00 0.00 H new ATOM 0 HA CYS A 74 18.144 7.446 -13.445 1.00 0.00 H new ATOM 0 HB2 CYS A 74 15.813 6.822 -12.616 1.00 0.00 H new ATOM 0 HB3 CYS A 74 16.181 5.156 -13.017 1.00 0.00 H new ATOM 923 N LYS A 75 19.717 5.430 -13.462 1.00 0.00 N ATOM 924 CA LYS A 75 20.707 4.384 -13.705 1.00 0.00 C ATOM 925 C LYS A 75 20.218 3.070 -13.147 1.00 0.00 C ATOM 926 O LYS A 75 20.642 1.995 -13.575 1.00 0.00 O ATOM 927 CB LYS A 75 22.060 4.746 -13.096 1.00 0.00 C ATOM 928 CG LYS A 75 22.848 5.758 -13.907 1.00 0.00 C ATOM 929 CD LYS A 75 23.286 5.171 -15.239 1.00 0.00 C ATOM 930 CE LYS A 75 24.060 6.185 -16.066 1.00 0.00 C ATOM 931 NZ LYS A 75 25.292 6.646 -15.375 1.00 0.00 N ATOM 0 H LYS A 75 19.973 6.101 -12.738 1.00 0.00 H new ATOM 0 HA LYS A 75 20.841 4.289 -14.783 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.902 5.143 -12.093 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.654 3.838 -12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.238 6.644 -14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 75 23.723 6.079 -13.342 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.907 4.292 -15.064 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.411 4.837 -15.796 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.327 5.742 -17.025 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.421 7.042 -16.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.889 7.172 -16.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 25.033 7.266 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.817 5.823 -15.015 1.00 0.00 H new ATOM 945 N CYS A 76 19.326 3.163 -12.197 1.00 0.00 N ATOM 946 CA CYS A 76 18.741 2.010 -11.602 1.00 0.00 C ATOM 947 C CYS A 76 17.503 1.614 -12.396 1.00 0.00 C ATOM 948 O CYS A 76 16.673 2.461 -12.710 1.00 0.00 O ATOM 949 CB CYS A 76 18.372 2.316 -10.153 1.00 0.00 C ATOM 950 SG CYS A 76 19.740 2.992 -9.170 1.00 0.00 S ATOM 0 H CYS A 76 18.989 4.048 -11.818 1.00 0.00 H new ATOM 0 HA CYS A 76 19.450 1.183 -11.613 1.00 0.00 H new ATOM 0 HB2 CYS A 76 17.545 3.026 -10.142 1.00 0.00 H new ATOM 0 HB3 CYS A 76 18.015 1.402 -9.679 1.00 0.00 H new ATOM 955 N ALA A 77 17.388 0.338 -12.731 1.00 0.00 N ATOM 956 CA ALA A 77 16.253 -0.150 -13.504 1.00 0.00 C ATOM 957 C ALA A 77 16.050 -1.624 -13.273 1.00 0.00 C ATOM 958 O ALA A 77 17.023 -2.362 -13.094 1.00 0.00 O ATOM 959 CB ALA A 77 16.434 0.143 -14.987 1.00 0.00 C ATOM 0 H ALA A 77 18.067 -0.380 -12.480 1.00 0.00 H new ATOM 0 HA ALA A 77 15.362 0.378 -13.165 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.573 -0.232 -15.540 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.521 1.219 -15.137 1.00 0.00 H new ATOM 0 HB3 ALA A 77 17.338 -0.348 -15.347 1.00 0.00 H new ATOM 965 N ALA A 78 14.776 -2.037 -13.244 1.00 0.00 N ATOM 966 CA ALA A 78 14.371 -3.436 -13.026 1.00 0.00 C ATOM 967 C ALA A 78 14.699 -3.901 -11.617 1.00 0.00 C ATOM 968 O ALA A 78 13.810 -4.137 -10.799 1.00 0.00 O ATOM 969 CB ALA A 78 15.000 -4.362 -14.065 1.00 0.00 C ATOM 0 H ALA A 78 13.987 -1.403 -13.373 1.00 0.00 H new ATOM 0 HA ALA A 78 13.288 -3.481 -13.145 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.682 -5.388 -13.878 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.681 -4.060 -15.062 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.086 -4.300 -13.997 1.00 0.00 H new ATOM 975 N GLY A 79 15.966 -3.995 -11.344 1.00 0.00 N ATOM 976 CA GLY A 79 16.439 -4.436 -10.050 1.00 0.00 C ATOM 977 C GLY A 79 17.877 -4.031 -9.815 1.00 0.00 C ATOM 978 O GLY A 79 18.540 -4.556 -8.930 1.00 0.00 O ATOM 0 H GLY A 79 16.708 -3.770 -12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.809 -4.013 -9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.350 -5.520 -9.979 1.00 0.00 H new ATOM 982 N SER A 80 18.345 -3.067 -10.594 1.00 0.00 N ATOM 983 CA SER A 80 19.730 -2.625 -10.532 1.00 0.00 C ATOM 984 C SER A 80 19.883 -1.378 -9.645 1.00 0.00 C ATOM 985 O SER A 80 20.708 -0.509 -9.911 1.00 0.00 O ATOM 986 CB SER A 80 20.230 -2.335 -11.948 1.00 0.00 C ATOM 987 OG SER A 80 21.641 -2.232 -11.994 1.00 0.00 O ATOM 0 H SER A 80 17.779 -2.572 -11.283 1.00 0.00 H new ATOM 0 HA SER A 80 20.329 -3.419 -10.086 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.901 -3.128 -12.620 1.00 0.00 H new ATOM 0 HB3 SER A 80 19.785 -1.407 -12.308 1.00 0.00 H new ATOM 0 HG SER A 80 21.947 -1.613 -11.298 1.00 0.00 H new ATOM 993 N CYS A 81 19.083 -1.293 -8.603 1.00 0.00 N ATOM 994 CA CYS A 81 19.183 -0.195 -7.669 1.00 0.00 C ATOM 995 C CYS A 81 20.489 -0.296 -6.886 1.00 0.00 C ATOM 996 O CYS A 81 20.766 -1.322 -6.262 1.00 0.00 O ATOM 997 CB CYS A 81 17.999 -0.221 -6.721 1.00 0.00 C ATOM 998 SG CYS A 81 18.044 1.045 -5.453 1.00 0.00 S ATOM 0 H CYS A 81 18.356 -1.973 -8.383 1.00 0.00 H new ATOM 0 HA CYS A 81 19.176 0.747 -8.218 1.00 0.00 H new ATOM 0 HB2 CYS A 81 17.082 -0.107 -7.300 1.00 0.00 H new ATOM 0 HB3 CYS A 81 17.954 -1.199 -6.241 1.00 0.00 H new ATOM 1003 N LYS A 82 21.300 0.753 -6.928 1.00 0.00 N ATOM 1004 CA LYS A 82 22.577 0.725 -6.229 1.00 0.00 C ATOM 1005 C LYS A 82 22.687 1.835 -5.178 1.00 0.00 C ATOM 1006 O LYS A 82 23.706 1.951 -4.499 1.00 0.00 O ATOM 1007 CB LYS A 82 23.759 0.770 -7.233 1.00 0.00 C ATOM 1008 CG LYS A 82 23.899 2.076 -8.019 1.00 0.00 C ATOM 1009 CD LYS A 82 24.820 3.071 -7.311 1.00 0.00 C ATOM 1010 CE LYS A 82 26.281 2.649 -7.379 1.00 0.00 C ATOM 1011 NZ LYS A 82 26.801 2.668 -8.769 1.00 0.00 N ATOM 0 H LYS A 82 21.101 1.619 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 82 22.630 -0.220 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 82 24.685 0.593 -6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 82 23.644 -0.051 -7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 82 24.292 1.861 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 82 22.915 2.525 -8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 82 24.706 4.055 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 82 24.518 3.164 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 82 26.880 3.316 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 82 26.388 1.646 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 27.840 2.626 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 26.430 1.848 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 26.498 3.544 -9.241 1.00 0.00 H new ATOM 1025 N CYS A 83 21.644 2.652 -5.036 1.00 0.00 N ATOM 1026 CA CYS A 83 21.672 3.717 -4.038 1.00 0.00 C ATOM 1027 C CYS A 83 21.111 3.223 -2.705 1.00 0.00 C ATOM 1028 O CYS A 83 21.534 3.668 -1.637 1.00 0.00 O ATOM 1029 CB CYS A 83 20.916 4.967 -4.521 1.00 0.00 C ATOM 1030 SG CYS A 83 19.155 4.722 -4.833 1.00 0.00 S ATOM 0 H CYS A 83 20.787 2.599 -5.587 1.00 0.00 H new ATOM 0 HA CYS A 83 22.713 4.002 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.031 5.753 -3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.385 5.325 -5.437 1.00 0.00 H new ATOM 1035 N GLY A 84 20.178 2.285 -2.771 1.00 0.00 N ATOM 1036 CA GLY A 84 19.599 1.735 -1.561 1.00 0.00 C ATOM 1037 C GLY A 84 18.164 2.166 -1.354 1.00 0.00 C ATOM 1038 O GLY A 84 17.522 1.761 -0.387 1.00 0.00 O ATOM 0 H GLY A 84 19.811 1.895 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.645 0.647 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.195 2.046 -0.703 1.00 0.00 H new ATOM 1042 N LYS A 85 17.659 2.987 -2.259 1.00 0.00 N ATOM 1043 CA LYS A 85 16.285 3.463 -2.169 1.00 0.00 C ATOM 1044 C LYS A 85 15.308 2.385 -2.608 1.00 0.00 C ATOM 1045 O LYS A 85 14.161 2.357 -2.169 1.00 0.00 O ATOM 1046 CB LYS A 85 16.097 4.716 -3.025 1.00 0.00 C ATOM 1047 CG LYS A 85 16.921 5.908 -2.563 1.00 0.00 C ATOM 1048 CD LYS A 85 16.448 6.437 -1.219 1.00 0.00 C ATOM 1049 CE LYS A 85 15.069 7.060 -1.316 1.00 0.00 C ATOM 1050 NZ LYS A 85 14.630 7.638 -0.025 1.00 0.00 N ATOM 0 H LYS A 85 18.177 3.339 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 85 16.082 3.711 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.361 4.482 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.043 4.992 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.969 5.618 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.860 6.702 -3.307 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.430 5.624 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.157 7.178 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.076 7.839 -2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.352 6.305 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.683 8.053 -0.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.599 6.890 0.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.300 8.377 0.270 1.00 0.00 H new ATOM 1064 N GLY A 86 15.774 1.493 -3.466 1.00 0.00 N ATOM 1065 CA GLY A 86 14.922 0.444 -3.973 1.00 0.00 C ATOM 1066 C GLY A 86 13.956 0.975 -5.001 1.00 0.00 C ATOM 1067 O GLY A 86 12.789 0.584 -5.036 1.00 0.00 O ATOM 0 H GLY A 86 16.730 1.478 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.533 -0.342 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.369 -0.008 -3.150 1.00 0.00 H new ATOM 1071 N CYS A 87 14.443 1.865 -5.842 1.00 0.00 N ATOM 1072 CA CYS A 87 13.613 2.484 -6.855 1.00 0.00 C ATOM 1073 C CYS A 87 13.581 1.626 -8.105 1.00 0.00 C ATOM 1074 O CYS A 87 12.512 1.309 -8.625 1.00 0.00 O ATOM 1075 CB CYS A 87 14.127 3.891 -7.167 1.00 0.00 C ATOM 1076 SG CYS A 87 15.914 3.985 -7.392 1.00 0.00 S ATOM 0 H CYS A 87 15.414 2.177 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 87 12.594 2.568 -6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 87 13.638 4.253 -8.071 1.00 0.00 H new ATOM 0 HB3 CYS A 87 13.837 4.561 -6.357 1.00 0.00 H new ATOM 1081 N THR A 88 14.771 1.235 -8.564 1.00 0.00 N ATOM 1082 CA THR A 88 14.949 0.369 -9.736 1.00 0.00 C ATOM 1083 C THR A 88 14.240 0.911 -10.971 1.00 0.00 C ATOM 1084 O THR A 88 13.701 0.150 -11.774 1.00 0.00 O ATOM 1085 CB THR A 88 14.496 -1.089 -9.465 1.00 0.00 C ATOM 1086 OG1 THR A 88 13.104 -1.139 -9.133 1.00 0.00 O ATOM 1087 CG2 THR A 88 15.303 -1.690 -8.335 1.00 0.00 C ATOM 0 H THR A 88 15.650 1.513 -8.129 1.00 0.00 H new ATOM 0 HA THR A 88 16.021 0.362 -9.934 1.00 0.00 H new ATOM 0 HB THR A 88 14.662 -1.665 -10.376 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.712 -0.246 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.973 -2.714 -8.157 1.00 0.00 H new ATOM 0 HG22 THR A 88 16.360 -1.691 -8.603 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.158 -1.099 -7.430 1.00 0.00 H new ATOM 1095 N GLY A 89 14.265 2.210 -11.127 1.00 0.00 N ATOM 1096 CA GLY A 89 13.648 2.818 -12.269 1.00 0.00 C ATOM 1097 C GLY A 89 13.230 4.226 -11.975 1.00 0.00 C ATOM 1098 O GLY A 89 12.800 4.516 -10.863 1.00 0.00 O ATOM 0 H GLY A 89 14.705 2.862 -10.478 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.343 2.810 -13.108 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.779 2.233 -12.570 1.00 0.00 H new ATOM 1102 N PRO A 90 13.353 5.136 -12.953 1.00 0.00 N ATOM 1103 CA PRO A 90 12.985 6.531 -12.775 1.00 0.00 C ATOM 1104 C PRO A 90 11.544 6.686 -12.321 1.00 0.00 C ATOM 1105 O PRO A 90 11.256 7.483 -11.459 1.00 0.00 O ATOM 1106 CB PRO A 90 13.186 7.160 -14.165 1.00 0.00 C ATOM 1107 CG PRO A 90 13.352 6.014 -15.107 1.00 0.00 C ATOM 1108 CD PRO A 90 13.865 4.867 -14.296 1.00 0.00 C ATOM 0 HA PRO A 90 13.586 7.009 -12.002 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.330 7.775 -14.444 1.00 0.00 H new ATOM 0 HB3 PRO A 90 14.062 7.808 -14.178 1.00 0.00 H new ATOM 0 HG2 PRO A 90 12.403 5.761 -15.580 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.049 6.267 -15.906 1.00 0.00 H new ATOM 0 HD2 PRO A 90 13.503 3.913 -14.679 1.00 0.00 H new ATOM 0 HD3 PRO A 90 14.954 4.823 -14.308 1.00 0.00 H new ATOM 1116 N ASP A 91 10.659 5.878 -12.876 1.00 0.00 N ATOM 1117 CA ASP A 91 9.229 5.952 -12.548 1.00 0.00 C ATOM 1118 C ASP A 91 8.957 5.601 -11.084 1.00 0.00 C ATOM 1119 O ASP A 91 7.900 5.931 -10.545 1.00 0.00 O ATOM 1120 CB ASP A 91 8.417 5.042 -13.468 1.00 0.00 C ATOM 1121 CG ASP A 91 8.466 5.483 -14.913 1.00 0.00 C ATOM 1122 OD1 ASP A 91 7.501 6.121 -15.377 1.00 0.00 O ATOM 1123 OD2 ASP A 91 9.475 5.198 -15.593 1.00 0.00 O ATOM 0 H ASP A 91 10.897 5.158 -13.559 1.00 0.00 H new ATOM 0 HA ASP A 91 8.917 6.985 -12.703 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.795 4.023 -13.390 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.380 5.024 -13.132 1.00 0.00 H new ATOM 1128 N SER A 92 9.900 4.932 -10.451 1.00 0.00 N ATOM 1129 CA SER A 92 9.769 4.570 -9.049 1.00 0.00 C ATOM 1130 C SER A 92 10.853 5.258 -8.225 1.00 0.00 C ATOM 1131 O SER A 92 11.103 4.901 -7.072 1.00 0.00 O ATOM 1132 CB SER A 92 9.861 3.056 -8.892 1.00 0.00 C ATOM 1133 OG SER A 92 8.906 2.407 -9.714 1.00 0.00 O ATOM 0 H SER A 92 10.770 4.626 -10.886 1.00 0.00 H new ATOM 0 HA SER A 92 8.796 4.901 -8.686 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.864 2.719 -9.155 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.696 2.783 -7.850 1.00 0.00 H new ATOM 0 HG SER A 92 8.982 1.437 -9.600 1.00 0.00 H new ATOM 1139 N CYS A 93 11.477 6.255 -8.825 1.00 0.00 N ATOM 1140 CA CYS A 93 12.560 6.987 -8.199 1.00 0.00 C ATOM 1141 C CYS A 93 12.055 8.274 -7.563 1.00 0.00 C ATOM 1142 O CYS A 93 11.843 9.269 -8.246 1.00 0.00 O ATOM 1143 CB CYS A 93 13.644 7.297 -9.242 1.00 0.00 C ATOM 1144 SG CYS A 93 14.958 8.406 -8.684 1.00 0.00 S ATOM 0 H CYS A 93 11.245 6.580 -9.764 1.00 0.00 H new ATOM 0 HA CYS A 93 12.986 6.368 -7.409 1.00 0.00 H new ATOM 0 HB2 CYS A 93 14.095 6.358 -9.563 1.00 0.00 H new ATOM 0 HB3 CYS A 93 13.167 7.737 -10.118 1.00 0.00 H new ATOM 1149 N LYS A 94 11.852 8.244 -6.251 1.00 0.00 N ATOM 1150 CA LYS A 94 11.422 9.430 -5.510 1.00 0.00 C ATOM 1151 C LYS A 94 12.652 10.196 -5.035 1.00 0.00 C ATOM 1152 O LYS A 94 12.600 10.956 -4.060 1.00 0.00 O ATOM 1153 CB LYS A 94 10.556 9.038 -4.295 1.00 0.00 C ATOM 1154 CG LYS A 94 9.291 8.255 -4.642 1.00 0.00 C ATOM 1155 CD LYS A 94 8.366 8.096 -3.426 1.00 0.00 C ATOM 1156 CE LYS A 94 9.040 7.362 -2.282 1.00 0.00 C ATOM 1157 NZ LYS A 94 9.447 5.994 -2.667 1.00 0.00 N ATOM 0 H LYS A 94 11.978 7.411 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 94 10.822 10.056 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.161 8.442 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.271 9.944 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.755 8.766 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.566 7.271 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.046 9.080 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.468 7.554 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.916 7.923 -1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.360 7.312 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.779 5.481 -1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.634 5.493 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.215 6.044 -3.367 1.00 0.00 H new ATOM 1171 N CYS A 95 13.745 9.995 -5.738 1.00 0.00 N ATOM 1172 CA CYS A 95 15.014 10.584 -5.392 1.00 0.00 C ATOM 1173 C CYS A 95 15.238 11.878 -6.124 1.00 0.00 C ATOM 1174 O CYS A 95 14.465 12.264 -7.002 1.00 0.00 O ATOM 1175 CB CYS A 95 16.132 9.629 -5.773 1.00 0.00 C ATOM 1176 SG CYS A 95 15.857 7.940 -5.248 1.00 0.00 S ATOM 0 H CYS A 95 13.775 9.412 -6.574 1.00 0.00 H new ATOM 0 HA CYS A 95 15.009 10.778 -4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 95 16.258 9.646 -6.856 1.00 0.00 H new ATOM 0 HB3 CYS A 95 17.065 9.986 -5.338 1.00 0.00 H new ATOM 1181 N ASP A 96 16.301 12.546 -5.753 1.00 0.00 N ATOM 1182 CA ASP A 96 16.717 13.728 -6.435 1.00 0.00 C ATOM 1183 C ASP A 96 17.724 13.354 -7.487 1.00 0.00 C ATOM 1184 O ASP A 96 18.338 12.286 -7.429 1.00 0.00 O ATOM 1185 CB ASP A 96 17.307 14.760 -5.471 1.00 0.00 C ATOM 1186 CG ASP A 96 18.413 14.198 -4.607 1.00 0.00 C ATOM 1187 OD1 ASP A 96 18.104 13.513 -3.603 1.00 0.00 O ATOM 1188 OD2 ASP A 96 19.587 14.437 -4.923 1.00 0.00 O ATOM 0 H ASP A 96 16.897 12.279 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 96 15.845 14.188 -6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 96 17.694 15.604 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 96 16.514 15.146 -4.831 1.00 0.00 H new ATOM 1193 N ARG A 97 17.905 14.228 -8.437 1.00 0.00 N ATOM 1194 CA ARG A 97 18.816 13.980 -9.548 1.00 0.00 C ATOM 1195 C ARG A 97 20.262 13.971 -9.095 1.00 0.00 C ATOM 1196 O ARG A 97 21.169 13.675 -9.871 1.00 0.00 O ATOM 1197 CB ARG A 97 18.654 15.035 -10.603 1.00 0.00 C ATOM 1198 CG ARG A 97 17.249 15.218 -11.101 1.00 0.00 C ATOM 1199 CD ARG A 97 17.271 16.170 -12.251 1.00 0.00 C ATOM 1200 NE ARG A 97 16.064 16.178 -13.069 1.00 0.00 N ATOM 1201 CZ ARG A 97 16.072 16.141 -14.417 1.00 0.00 C ATOM 1202 NH1 ARG A 97 17.208 15.928 -15.079 1.00 0.00 N ATOM 1203 NH2 ARG A 97 14.949 16.309 -15.097 1.00 0.00 N ATOM 0 H ARG A 97 17.434 15.132 -8.475 1.00 0.00 H new ATOM 0 HA ARG A 97 18.566 12.999 -9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 97 19.010 15.985 -10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 97 19.294 14.784 -11.449 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.830 14.261 -11.410 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.612 15.602 -10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 97 17.438 17.176 -11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.122 15.927 -12.888 1.00 0.00 H new ATOM 0 HE ARG A 97 15.162 16.214 -12.594 1.00 0.00 H new ATOM 0 HH11 ARG A 97 18.079 15.792 -14.566 1.00 0.00 H new ATOM 0 HH12 ARG A 97 17.207 15.901 -16.099 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.072 16.467 -14.602 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.961 16.280 -16.117 1.00 0.00 H new ATOM 1217 N SER A 98 20.471 14.297 -7.856 1.00 0.00 N ATOM 1218 CA SER A 98 21.788 14.370 -7.306 1.00 0.00 C ATOM 1219 C SER A 98 22.036 13.219 -6.322 1.00 0.00 C ATOM 1220 O SER A 98 22.974 13.258 -5.526 1.00 0.00 O ATOM 1221 CB SER A 98 21.970 15.732 -6.639 1.00 0.00 C ATOM 1222 OG SER A 98 21.874 16.777 -7.605 1.00 0.00 O ATOM 0 H SER A 98 19.727 14.521 -7.195 1.00 0.00 H new ATOM 0 HA SER A 98 22.525 14.266 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.212 15.870 -5.868 1.00 0.00 H new ATOM 0 HB3 SER A 98 22.940 15.774 -6.144 1.00 0.00 H new ATOM 0 HG SER A 98 21.991 17.643 -7.162 1.00 0.00 H new ATOM 1228 N CYS A 99 21.190 12.185 -6.388 1.00 0.00 N ATOM 1229 CA CYS A 99 21.343 11.024 -5.519 1.00 0.00 C ATOM 1230 C CYS A 99 22.414 10.080 -6.079 1.00 0.00 C ATOM 1231 O CYS A 99 22.893 10.269 -7.208 1.00 0.00 O ATOM 1232 CB CYS A 99 19.998 10.287 -5.333 1.00 0.00 C ATOM 1233 SG CYS A 99 19.943 9.138 -3.911 1.00 0.00 S ATOM 0 H CYS A 99 20.400 12.133 -7.031 1.00 0.00 H new ATOM 0 HA CYS A 99 21.667 11.370 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 99 19.207 11.028 -5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 99 19.777 9.728 -6.242 1.00 0.00 H new ATOM 1238 N SER A 100 22.779 9.076 -5.295 1.00 0.00 N ATOM 1239 CA SER A 100 23.826 8.123 -5.663 1.00 0.00 C ATOM 1240 C SER A 100 23.478 7.327 -6.932 1.00 0.00 C ATOM 1241 O SER A 100 24.370 6.893 -7.662 1.00 0.00 O ATOM 1242 CB SER A 100 24.091 7.167 -4.491 1.00 0.00 C ATOM 1243 OG SER A 100 25.104 6.223 -4.803 1.00 0.00 O ATOM 0 H SER A 100 22.359 8.896 -4.383 1.00 0.00 H new ATOM 0 HA SER A 100 24.727 8.695 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 100 24.386 7.741 -3.613 1.00 0.00 H new ATOM 0 HB3 SER A 100 23.171 6.642 -4.234 1.00 0.00 H new ATOM 0 HG SER A 100 25.248 5.632 -4.035 1.00 0.00 H new ATOM 1249 N CYS A 101 22.197 7.141 -7.186 1.00 0.00 N ATOM 1250 CA CYS A 101 21.752 6.372 -8.341 1.00 0.00 C ATOM 1251 C CYS A 101 21.991 7.131 -9.645 1.00 0.00 C ATOM 1252 O CYS A 101 22.351 6.543 -10.657 1.00 0.00 O ATOM 1253 CB CYS A 101 20.275 6.042 -8.196 1.00 0.00 C ATOM 1254 SG CYS A 101 19.245 7.484 -7.894 1.00 0.00 S ATOM 0 H CYS A 101 21.442 7.511 -6.609 1.00 0.00 H new ATOM 0 HA CYS A 101 22.333 5.451 -8.380 1.00 0.00 H new ATOM 0 HB2 CYS A 101 19.932 5.543 -9.102 1.00 0.00 H new ATOM 0 HB3 CYS A 101 20.147 5.336 -7.376 1.00 0.00 H new ATOM 1259 N LYS A 102 21.803 8.438 -9.605 1.00 0.00 N ATOM 1260 CA LYS A 102 21.960 9.276 -10.790 1.00 0.00 C ATOM 1261 C LYS A 102 23.425 9.535 -11.104 1.00 0.00 C ATOM 1262 O LYS A 102 23.945 8.896 -12.058 1.00 0.00 O ATOM 1263 CB LYS A 102 21.220 10.590 -10.601 1.00 0.00 C ATOM 1264 CG LYS A 102 19.716 10.430 -10.479 1.00 0.00 C ATOM 1265 CD LYS A 102 19.045 10.277 -11.839 1.00 0.00 C ATOM 1266 CE LYS A 102 17.549 10.083 -11.673 1.00 0.00 C ATOM 1267 NZ LYS A 102 16.835 10.197 -12.960 1.00 0.00 N ATOM 0 H LYS A 102 21.540 8.948 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 102 21.531 8.741 -11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 102 21.598 11.084 -9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 102 21.440 11.245 -11.444 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.493 9.558 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.300 11.296 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.238 11.160 -12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.472 9.425 -12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.356 9.103 -11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.161 10.825 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.817 10.314 -12.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.192 11.022 -13.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.992 9.336 -13.522 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 201 16.871 6.444 -8.714 1.00 0.00 CD HETATM 1283 CD CD A 202 18.223 3.217 -6.729 1.00 0.00 CD HETATM 1284 CD CD A 203 18.569 7.300 -5.482 1.00 0.00 CD HETATM 1285 CD CD A 204 8.990 17.477 -12.861 1.00 0.00 CD HETATM 1286 CD CD A 205 11.699 19.940 -10.931 1.00 0.00 CD HETATM 1287 CD CD A 206 12.084 19.444 -15.080 1.00 0.00 CD HETATM 1288 CD CD A 207 4.373 26.765 2.331 1.00 0.00 CD HETATM 1289 CD CD A 208 3.869 26.206 -1.451 1.00 0.00 CD HETATM 1290 CD CD A 209 6.070 23.346 0.633 1.00 0.00 CD