USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 761 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 25 SER OG : rot -32:sc= 0.733 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.862 K(o=2.4,f=0.56) USER MOD Set 1.3: A 29 THR OG1 : rot -149:sc= 0.82 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.15 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= -0.0244 (180deg=-0.146) USER MOD Single : A 7 SER OG : rot 149:sc= -2.72! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 176:sc= -1.22 (180deg=-1.27) USER MOD Single : A 12 THR OG1 : rot -28:sc= 0.519 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -137:sc= -0.209 (180deg=-1.05) USER MOD Single : A 20 MET CE :methyl -144:sc= -3.66! (180deg=-6.83!) USER MOD Single : A 23 THR OG1 : rot 135:sc= 1.29 USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 2.31 (180deg=1.81) USER MOD Single : A 33 THR OG1 : rot 113:sc= 1.87 USER MOD Single : A 37 THR OG1 : rot -55:sc= 1.14 USER MOD Single : A 38 SER OG : rot 65:sc= 1.25 USER MOD Single : A 41 GLN : amide:sc= 1.22 K(o=1.2,f=-0.31) USER MOD Single : A 43 SER OG : rot -78:sc= 1.18 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 48 ASN : amide:sc=-0.00454 X(o=-0.0045,f=0.015) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.898 K(o=-0.9,f=0) USER MOD Single : A 58 SER OG : rot -28:sc= 1.25 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 121:sc= 1.22 USER MOD Single : A 70 TYR OH : rot 35:sc= 0.881 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 89:sc= 1.3 USER MOD Single : A 81 GLN : amide:sc= -0.837 K(o=-0.84,f=-0.075) USER MOD Single : A 84 CYS SG : rot 11:sc= -3.99! USER MOD Single : A 88 THR OG1 : rot 0:sc= 0.282 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 165:sc= -1.63! USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -0.0403 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.235 14.862 5.061 1.00 0.00 N ATOM 2 CA GLY A 1 20.651 13.589 4.487 1.00 0.00 C ATOM 3 C GLY A 1 19.531 12.985 3.693 1.00 0.00 C ATOM 4 O GLY A 1 18.552 13.671 3.413 1.00 0.00 O ATOM 0 H1 GLY A 1 20.939 15.592 4.833 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.312 15.135 4.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.156 14.768 6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.521 13.738 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.953 12.906 5.281 1.00 0.00 H new ATOM 8 N PRO A 2 19.623 11.696 3.319 1.00 0.00 N ATOM 9 CA PRO A 2 18.579 11.012 2.539 1.00 0.00 C ATOM 10 C PRO A 2 17.256 10.908 3.305 1.00 0.00 C ATOM 11 O PRO A 2 16.181 10.812 2.711 1.00 0.00 O ATOM 12 CB PRO A 2 19.168 9.617 2.286 1.00 0.00 C ATOM 13 CG PRO A 2 20.628 9.768 2.520 1.00 0.00 C ATOM 14 CD PRO A 2 20.758 10.802 3.596 1.00 0.00 C ATOM 0 HA PRO A 2 18.336 11.553 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.735 8.878 2.959 1.00 0.00 H new ATOM 0 HB3 PRO A 2 18.964 9.281 1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.075 8.823 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.140 10.082 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.694 10.362 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.711 11.328 3.540 1.00 0.00 H new ATOM 22 N GLY A 3 17.338 10.979 4.619 1.00 0.00 N ATOM 23 CA GLY A 3 16.162 10.918 5.459 1.00 0.00 C ATOM 24 C GLY A 3 15.528 12.293 5.638 1.00 0.00 C ATOM 25 O GLY A 3 15.062 12.631 6.729 1.00 0.00 O ATOM 0 H GLY A 3 18.215 11.080 5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 3 15.435 10.236 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.431 10.511 6.434 1.00 0.00 H new ATOM 29 N LYS A 4 15.574 13.097 4.586 1.00 0.00 N ATOM 30 CA LYS A 4 14.974 14.416 4.553 1.00 0.00 C ATOM 31 C LYS A 4 13.442 14.309 4.506 1.00 0.00 C ATOM 32 O LYS A 4 12.897 13.430 3.825 1.00 0.00 O ATOM 33 CB LYS A 4 15.512 15.198 3.333 1.00 0.00 C ATOM 34 CG LYS A 4 15.432 14.439 2.020 1.00 0.00 C ATOM 35 CD LYS A 4 15.831 15.317 0.856 1.00 0.00 C ATOM 36 CE LYS A 4 15.875 14.542 -0.451 1.00 0.00 C ATOM 37 NZ LYS A 4 14.616 13.826 -0.725 1.00 0.00 N ATOM 0 H LYS A 4 16.040 12.842 3.715 1.00 0.00 H new ATOM 0 HA LYS A 4 15.242 14.956 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.952 16.128 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 4 16.551 15.470 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 4 16.084 13.566 2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.417 14.072 1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.125 16.142 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.810 15.755 1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.084 15.230 -1.271 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.696 13.826 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.625 13.470 -1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.520 13.027 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.813 14.475 -0.601 1.00 0.00 H new ATOM 51 N PRO A 5 12.725 15.170 5.246 1.00 0.00 N ATOM 52 CA PRO A 5 11.270 15.152 5.281 1.00 0.00 C ATOM 53 C PRO A 5 10.636 15.763 4.030 1.00 0.00 C ATOM 54 O PRO A 5 11.262 15.819 2.948 1.00 0.00 O ATOM 55 CB PRO A 5 10.914 15.941 6.554 1.00 0.00 C ATOM 56 CG PRO A 5 12.220 16.284 7.205 1.00 0.00 C ATOM 57 CD PRO A 5 13.256 16.220 6.131 1.00 0.00 C ATOM 0 HA PRO A 5 10.880 14.134 5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.351 16.842 6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.290 15.346 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.183 17.278 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.449 15.584 8.008 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.364 17.173 5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.237 15.960 6.527 1.00 0.00 H new ATOM 65 N GLU A 6 9.373 16.180 4.181 1.00 0.00 N ATOM 66 CA GLU A 6 8.409 16.416 3.086 1.00 0.00 C ATOM 67 C GLU A 6 8.007 15.050 2.534 1.00 0.00 C ATOM 68 O GLU A 6 6.815 14.772 2.327 1.00 0.00 O ATOM 69 CB GLU A 6 8.877 17.391 1.978 1.00 0.00 C ATOM 70 CG GLU A 6 9.163 18.799 2.470 1.00 0.00 C ATOM 71 CD GLU A 6 7.930 19.491 2.999 1.00 0.00 C ATOM 72 OE1 GLU A 6 7.201 20.126 2.204 1.00 0.00 O ATOM 73 OE2 GLU A 6 7.667 19.427 4.211 1.00 0.00 O ATOM 0 H GLU A 6 8.975 16.371 5.100 1.00 0.00 H new ATOM 0 HA GLU A 6 7.551 16.943 3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.778 16.990 1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 6 8.112 17.437 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.918 18.759 3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.583 19.387 1.654 1.00 0.00 H new ATOM 80 N SER A 7 9.008 14.162 2.455 1.00 0.00 N ATOM 81 CA SER A 7 8.865 12.831 2.106 1.00 0.00 C ATOM 82 C SER A 7 8.283 12.173 3.389 1.00 0.00 C ATOM 83 O SER A 7 8.299 12.822 4.478 1.00 0.00 O ATOM 84 CB SER A 7 10.245 12.290 1.732 1.00 0.00 C ATOM 85 OG SER A 7 10.191 11.036 1.072 1.00 0.00 O ATOM 0 H SER A 7 9.976 14.416 2.654 1.00 0.00 H new ATOM 0 HA SER A 7 8.216 12.641 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.749 13.011 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.848 12.193 2.635 1.00 0.00 H new ATOM 0 HG SER A 7 10.941 10.964 0.445 1.00 0.00 H new ATOM 91 N ILE A 8 7.864 10.919 3.303 1.00 0.00 N ATOM 92 CA ILE A 8 6.885 10.330 4.228 1.00 0.00 C ATOM 93 C ILE A 8 5.887 11.423 4.750 1.00 0.00 C ATOM 94 O ILE A 8 5.646 11.575 5.987 1.00 0.00 O ATOM 95 CB ILE A 8 7.468 9.384 5.374 1.00 0.00 C ATOM 96 CG1 ILE A 8 6.321 8.749 6.240 1.00 0.00 C ATOM 97 CG2 ILE A 8 8.514 10.063 6.241 1.00 0.00 C ATOM 98 CD1 ILE A 8 5.360 7.838 5.477 1.00 0.00 C ATOM 0 H ILE A 8 8.191 10.270 2.587 1.00 0.00 H new ATOM 0 HA ILE A 8 6.323 9.613 3.629 1.00 0.00 H new ATOM 0 HB ILE A 8 7.986 8.575 4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.773 8.177 7.050 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.747 9.553 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.868 9.364 6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.352 10.379 5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.074 10.934 6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.606 7.450 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.873 8.406 4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.915 7.008 5.040 1.00 0.00 H new ATOM 110 N LEU A 9 5.433 12.331 3.769 1.00 0.00 N ATOM 111 CA LEU A 9 4.378 13.288 3.998 1.00 0.00 C ATOM 112 C LEU A 9 4.625 14.109 5.227 1.00 0.00 C ATOM 113 O LEU A 9 4.015 13.934 6.283 1.00 0.00 O ATOM 114 CB LEU A 9 2.989 12.634 3.883 1.00 0.00 C ATOM 115 CG LEU A 9 2.851 11.267 4.540 1.00 0.00 C ATOM 116 CD1 LEU A 9 2.621 11.358 5.993 1.00 0.00 C ATOM 117 CD2 LEU A 9 1.835 10.460 3.904 1.00 0.00 C ATOM 0 H LEU A 9 5.822 12.372 2.827 1.00 0.00 H new ATOM 0 HA LEU A 9 4.386 14.026 3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.253 13.306 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.739 12.537 2.827 1.00 0.00 H new ATOM 0 HG LEU A 9 3.809 10.767 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.530 10.355 6.410 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.460 11.872 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.703 11.914 6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.771 9.494 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.873 10.968 3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.094 10.309 2.856 1.00 0.00 H new ATOM 129 N LYS A 10 5.626 14.935 5.086 1.00 0.00 N ATOM 130 CA LYS A 10 6.159 15.793 6.136 1.00 0.00 C ATOM 131 C LYS A 10 6.709 14.988 7.312 1.00 0.00 C ATOM 132 O LYS A 10 6.777 15.477 8.439 1.00 0.00 O ATOM 133 CB LYS A 10 5.226 16.985 6.553 1.00 0.00 C ATOM 134 CG LYS A 10 3.887 16.637 7.204 1.00 0.00 C ATOM 135 CD LYS A 10 3.047 17.880 7.489 1.00 0.00 C ATOM 136 CE LYS A 10 3.732 18.831 8.457 1.00 0.00 C ATOM 137 NZ LYS A 10 2.871 19.987 8.787 1.00 0.00 N ATOM 0 H LYS A 10 6.122 15.041 4.201 1.00 0.00 H new ATOM 0 HA LYS A 10 7.013 16.301 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.781 17.621 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.023 17.581 5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.330 15.966 6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.066 16.099 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.845 18.401 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.084 17.578 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.990 18.297 9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.666 19.185 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.371 20.614 9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.645 20.511 7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.991 19.650 9.227 1.00 0.00 H new ATOM 151 N MET A 11 7.167 13.757 6.999 1.00 0.00 N ATOM 152 CA MET A 11 7.699 12.797 7.973 1.00 0.00 C ATOM 153 C MET A 11 6.652 12.522 9.082 1.00 0.00 C ATOM 154 O MET A 11 6.984 12.107 10.202 1.00 0.00 O ATOM 155 CB MET A 11 9.053 13.313 8.553 1.00 0.00 C ATOM 156 CG MET A 11 9.787 12.316 9.459 1.00 0.00 C ATOM 157 SD MET A 11 11.424 12.881 9.969 1.00 0.00 S ATOM 158 CE MET A 11 12.272 12.899 8.394 1.00 0.00 C ATOM 0 H MET A 11 7.175 13.402 6.043 1.00 0.00 H new ATOM 0 HA MET A 11 7.899 11.848 7.475 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.709 13.580 7.724 1.00 0.00 H new ATOM 0 HB3 MET A 11 8.866 14.226 9.118 1.00 0.00 H new ATOM 0 HG2 MET A 11 9.182 12.130 10.347 1.00 0.00 H new ATOM 0 HG3 MET A 11 9.886 11.365 8.935 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.279 13.295 8.527 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.330 11.884 8.001 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.724 13.529 7.693 1.00 0.00 H new ATOM 168 N THR A 12 5.367 12.679 8.762 1.00 0.00 N ATOM 169 CA THR A 12 4.341 12.584 9.809 1.00 0.00 C ATOM 170 C THR A 12 2.947 12.348 9.228 1.00 0.00 C ATOM 171 O THR A 12 2.400 11.253 9.383 1.00 0.00 O ATOM 172 CB THR A 12 4.292 13.853 10.753 1.00 0.00 C ATOM 173 OG1 THR A 12 5.608 14.168 11.257 1.00 0.00 O ATOM 174 CG2 THR A 12 3.382 13.600 11.966 1.00 0.00 C ATOM 0 H THR A 12 5.017 12.866 7.822 1.00 0.00 H new ATOM 0 HA THR A 12 4.637 11.723 10.409 1.00 0.00 H new ATOM 0 HB THR A 12 3.905 14.679 10.156 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.147 13.351 11.297 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.365 14.487 12.599 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.371 13.380 11.623 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.764 12.754 12.537 1.00 0.00 H new ATOM 182 N LYS A 13 2.410 13.336 8.477 1.00 0.00 N ATOM 183 CA LYS A 13 1.014 13.284 8.020 1.00 0.00 C ATOM 184 C LYS A 13 0.611 14.558 7.302 1.00 0.00 C ATOM 185 O LYS A 13 0.616 15.644 7.903 1.00 0.00 O ATOM 186 CB LYS A 13 0.036 13.054 9.194 1.00 0.00 C ATOM 187 CG LYS A 13 -1.423 12.894 8.766 1.00 0.00 C ATOM 188 CD LYS A 13 -2.346 12.724 9.961 1.00 0.00 C ATOM 189 CE LYS A 13 -2.013 11.476 10.762 1.00 0.00 C ATOM 190 NZ LYS A 13 -2.898 11.330 11.930 1.00 0.00 N ATOM 0 H LYS A 13 2.920 14.168 8.180 1.00 0.00 H new ATOM 0 HA LYS A 13 0.955 12.443 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.344 12.162 9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.111 13.893 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.731 13.767 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.516 12.030 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.270 13.600 10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.379 12.670 9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.105 10.598 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.976 11.522 11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.643 10.468 12.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.792 12.157 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.885 11.261 11.611 1.00 0.00 H new ATOM 204 N LYS A 14 0.296 14.426 6.030 1.00 0.00 N ATOM 205 CA LYS A 14 -0.312 15.474 5.233 1.00 0.00 C ATOM 206 C LYS A 14 -0.818 14.807 3.943 1.00 0.00 C ATOM 207 O LYS A 14 -0.432 13.665 3.702 1.00 0.00 O ATOM 208 CB LYS A 14 0.639 16.643 4.904 1.00 0.00 C ATOM 209 CG LYS A 14 1.809 16.304 4.002 1.00 0.00 C ATOM 210 CD LYS A 14 2.598 17.554 3.677 1.00 0.00 C ATOM 211 CE LYS A 14 3.755 17.260 2.756 1.00 0.00 C ATOM 212 NZ LYS A 14 4.510 18.477 2.428 1.00 0.00 N ATOM 0 H LYS A 14 0.460 13.565 5.508 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.119 15.929 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.060 17.437 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.029 17.044 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.455 15.574 4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.447 15.844 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.941 18.289 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.971 17.999 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.419 16.535 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.383 16.804 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.298 18.236 1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.882 19.159 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.886 18.898 3.301 1.00 0.00 H new ATOM 226 N GLY A 15 -1.633 15.503 3.118 1.00 0.00 N ATOM 227 CA GLY A 15 -2.240 14.940 1.907 1.00 0.00 C ATOM 228 C GLY A 15 -1.272 14.597 0.752 1.00 0.00 C ATOM 229 O GLY A 15 -1.579 14.893 -0.405 1.00 0.00 O ATOM 0 H GLY A 15 -1.885 16.478 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.778 14.033 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.980 15.648 1.534 1.00 0.00 H new ATOM 233 N LYS A 16 -0.133 13.978 1.036 1.00 0.00 N ATOM 234 CA LYS A 16 0.801 13.611 -0.001 1.00 0.00 C ATOM 235 C LYS A 16 0.376 12.279 -0.619 1.00 0.00 C ATOM 236 O LYS A 16 0.027 11.331 0.090 1.00 0.00 O ATOM 237 CB LYS A 16 2.229 13.531 0.565 1.00 0.00 C ATOM 238 CG LYS A 16 3.321 13.212 -0.463 1.00 0.00 C ATOM 239 CD LYS A 16 3.442 14.286 -1.547 1.00 0.00 C ATOM 240 CE LYS A 16 3.828 15.636 -0.970 1.00 0.00 C ATOM 241 NZ LYS A 16 3.939 16.681 -2.006 1.00 0.00 N ATOM 0 H LYS A 16 0.159 13.723 1.979 1.00 0.00 H new ATOM 0 HA LYS A 16 0.797 14.374 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.468 14.482 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.252 12.769 1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.278 13.109 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.105 12.252 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.188 13.979 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.493 14.376 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.085 15.938 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.780 15.545 -0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.204 17.583 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.666 16.408 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.025 16.789 -2.490 1.00 0.00 H new ATOM 255 N THR A 17 0.386 12.234 -1.916 1.00 0.00 N ATOM 256 CA THR A 17 -0.013 11.080 -2.665 1.00 0.00 C ATOM 257 C THR A 17 1.197 10.115 -2.807 1.00 0.00 C ATOM 258 O THR A 17 2.307 10.555 -3.118 1.00 0.00 O ATOM 259 CB THR A 17 -0.497 11.604 -4.040 1.00 0.00 C ATOM 260 OG1 THR A 17 -1.458 12.649 -3.794 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.157 10.534 -4.901 1.00 0.00 C ATOM 0 H THR A 17 0.679 13.018 -2.498 1.00 0.00 H new ATOM 0 HA THR A 17 -0.810 10.520 -2.177 1.00 0.00 H new ATOM 0 HB THR A 17 0.378 11.954 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.782 13.003 -4.648 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.471 10.972 -5.849 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.446 9.730 -5.091 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.027 10.134 -4.380 1.00 0.00 H new ATOM 269 N LEU A 18 0.999 8.833 -2.507 1.00 0.00 N ATOM 270 CA LEU A 18 2.065 7.832 -2.678 1.00 0.00 C ATOM 271 C LEU A 18 1.520 6.667 -3.418 1.00 0.00 C ATOM 272 O LEU A 18 0.545 6.083 -3.006 1.00 0.00 O ATOM 273 CB LEU A 18 2.641 7.251 -1.347 1.00 0.00 C ATOM 274 CG LEU A 18 3.378 8.115 -0.393 1.00 0.00 C ATOM 275 CD1 LEU A 18 3.687 7.230 0.713 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.686 8.616 -0.907 1.00 0.00 C ATOM 0 H LEU A 18 0.121 8.459 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 18 2.865 8.360 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.805 6.813 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.308 6.433 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 18 2.772 8.991 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.236 7.780 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.761 6.843 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.296 6.400 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.160 9.239 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.334 7.771 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.521 9.205 -1.809 1.00 0.00 H new ATOM 288 N MET A 19 2.104 6.322 -4.486 1.00 0.00 N ATOM 289 CA MET A 19 1.724 5.078 -5.109 1.00 0.00 C ATOM 290 C MET A 19 2.502 3.958 -4.449 1.00 0.00 C ATOM 291 O MET A 19 3.734 3.866 -4.593 1.00 0.00 O ATOM 292 CB MET A 19 1.908 5.059 -6.645 1.00 0.00 C ATOM 293 CG MET A 19 3.315 5.320 -7.151 1.00 0.00 C ATOM 294 SD MET A 19 3.492 4.961 -8.907 1.00 0.00 S ATOM 295 CE MET A 19 3.222 3.186 -8.916 1.00 0.00 C ATOM 0 H MET A 19 2.835 6.852 -4.960 1.00 0.00 H new ATOM 0 HA MET A 19 0.653 4.945 -4.959 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.584 4.087 -7.018 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.243 5.805 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.576 6.362 -6.968 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.020 4.711 -6.586 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.951 2.710 -9.572 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.335 2.796 -7.905 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.216 2.973 -9.277 1.00 0.00 H new ATOM 305 N MET A 20 1.835 3.154 -3.648 1.00 0.00 N ATOM 306 CA MET A 20 2.541 2.087 -3.030 1.00 0.00 C ATOM 307 C MET A 20 2.536 0.865 -3.930 1.00 0.00 C ATOM 308 O MET A 20 1.511 0.184 -4.081 1.00 0.00 O ATOM 309 CB MET A 20 1.988 1.761 -1.666 1.00 0.00 C ATOM 310 CG MET A 20 3.004 1.071 -0.823 1.00 0.00 C ATOM 311 SD MET A 20 2.423 0.625 0.812 1.00 0.00 S ATOM 312 CE MET A 20 1.927 2.228 1.425 1.00 0.00 C ATOM 0 H MET A 20 0.842 3.224 -3.424 1.00 0.00 H new ATOM 0 HA MET A 20 3.572 2.409 -2.884 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.665 2.678 -1.173 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.107 1.128 -1.770 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.334 0.169 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.876 1.718 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.149 2.295 2.490 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.472 3.006 0.891 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.857 2.362 1.269 1.00 0.00 H new ATOM 322 N PHE A 21 3.686 0.656 -4.538 1.00 0.00 N ATOM 323 CA PHE A 21 3.992 -0.420 -5.467 1.00 0.00 C ATOM 324 C PHE A 21 4.554 -1.554 -4.634 1.00 0.00 C ATOM 325 O PHE A 21 5.618 -1.434 -4.032 1.00 0.00 O ATOM 326 CB PHE A 21 5.006 0.168 -6.475 1.00 0.00 C ATOM 327 CG PHE A 21 5.683 -0.717 -7.498 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.801 -1.476 -7.159 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.261 -0.709 -8.831 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.472 -2.208 -8.116 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.928 -1.453 -9.784 1.00 0.00 C ATOM 332 CZ PHE A 21 7.035 -2.198 -9.428 1.00 0.00 C ATOM 0 H PHE A 21 4.485 1.272 -4.389 1.00 0.00 H new ATOM 0 HA PHE A 21 3.141 -0.808 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.491 0.956 -7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.794 0.647 -5.894 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.146 -1.491 -6.136 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.406 -0.115 -9.118 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.339 -2.789 -7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.584 -1.452 -10.808 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.560 -2.774 -10.176 1.00 0.00 H new ATOM 342 N VAL A 22 3.826 -2.617 -4.556 1.00 0.00 N ATOM 343 CA VAL A 22 4.126 -3.647 -3.601 1.00 0.00 C ATOM 344 C VAL A 22 4.209 -5.073 -4.200 1.00 0.00 C ATOM 345 O VAL A 22 3.380 -5.472 -5.033 1.00 0.00 O ATOM 346 CB VAL A 22 3.097 -3.530 -2.408 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.674 -3.342 -2.923 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.157 -4.710 -1.451 1.00 0.00 C ATOM 0 H VAL A 22 3.013 -2.802 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 22 5.138 -3.485 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 22 3.392 -2.645 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.989 -3.265 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.620 -2.431 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.395 -4.196 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.427 -4.570 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.932 -5.629 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.156 -4.778 -1.020 1.00 0.00 H new ATOM 358 N THR A 23 5.278 -5.773 -3.820 1.00 0.00 N ATOM 359 CA THR A 23 5.513 -7.143 -4.115 1.00 0.00 C ATOM 360 C THR A 23 4.683 -8.050 -3.099 1.00 0.00 C ATOM 361 O THR A 23 4.808 -7.850 -1.864 1.00 0.00 O ATOM 362 CB THR A 23 7.022 -7.407 -3.934 1.00 0.00 C ATOM 363 OG1 THR A 23 7.776 -6.625 -4.883 1.00 0.00 O ATOM 364 CG2 THR A 23 7.356 -8.872 -4.072 1.00 0.00 C ATOM 0 H THR A 23 6.029 -5.356 -3.270 1.00 0.00 H new ATOM 0 HA THR A 23 5.204 -7.380 -5.133 1.00 0.00 H new ATOM 0 HB THR A 23 7.295 -7.106 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.540 -6.209 -4.431 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.428 -9.015 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.816 -9.441 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.065 -9.220 -5.063 1.00 0.00 H new ATOM 372 N VAL A 24 3.870 -9.041 -3.581 1.00 0.00 N ATOM 373 CA VAL A 24 3.043 -9.825 -2.715 1.00 0.00 C ATOM 374 C VAL A 24 3.647 -11.313 -2.705 1.00 0.00 C ATOM 375 O VAL A 24 3.994 -11.825 -3.766 1.00 0.00 O ATOM 376 CB VAL A 24 1.542 -9.743 -3.247 1.00 0.00 C ATOM 377 CG1 VAL A 24 1.378 -10.324 -4.617 1.00 0.00 C ATOM 378 CG2 VAL A 24 0.491 -10.318 -2.313 1.00 0.00 C ATOM 0 H VAL A 24 3.797 -9.286 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 24 3.029 -9.464 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 24 1.358 -8.669 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.336 -10.240 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.010 -9.781 -5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.669 -11.374 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.495 -10.214 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.699 -11.373 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.513 -9.780 -1.365 1.00 0.00 H new ATOM 388 N SER A 25 3.720 -12.000 -1.524 1.00 0.00 N ATOM 389 CA SER A 25 4.429 -13.273 -1.292 1.00 0.00 C ATOM 390 C SER A 25 5.903 -13.309 -1.722 1.00 0.00 C ATOM 391 O SER A 25 6.791 -13.219 -0.881 1.00 0.00 O ATOM 392 CB SER A 25 3.663 -14.469 -1.812 1.00 0.00 C ATOM 393 OG SER A 25 3.589 -14.481 -3.241 1.00 0.00 O ATOM 0 H SER A 25 3.263 -11.656 -0.680 1.00 0.00 H new ATOM 0 HA SER A 25 4.467 -13.341 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.143 -15.385 -1.467 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.655 -14.462 -1.397 1.00 0.00 H new ATOM 0 HG SER A 25 3.574 -13.560 -3.576 1.00 0.00 H new ATOM 399 N GLY A 26 6.146 -13.393 -3.003 1.00 0.00 N ATOM 400 CA GLY A 26 7.455 -13.616 -3.497 1.00 0.00 C ATOM 401 C GLY A 26 7.420 -14.503 -4.721 1.00 0.00 C ATOM 402 O GLY A 26 8.421 -14.604 -5.449 1.00 0.00 O ATOM 0 H GLY A 26 5.431 -13.307 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.923 -12.663 -3.745 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.067 -14.079 -2.723 1.00 0.00 H new ATOM 406 N ASN A 27 6.281 -15.164 -4.969 1.00 0.00 N ATOM 407 CA ASN A 27 6.147 -15.967 -6.132 1.00 0.00 C ATOM 408 C ASN A 27 5.463 -15.156 -7.172 1.00 0.00 C ATOM 409 O ASN A 27 4.347 -14.683 -6.961 1.00 0.00 O ATOM 410 CB ASN A 27 5.440 -17.335 -5.871 1.00 0.00 C ATOM 411 CG ASN A 27 4.179 -17.277 -5.013 1.00 0.00 C ATOM 412 OD1 ASN A 27 4.255 -17.396 -3.789 1.00 0.00 O ATOM 413 ND2 ASN A 27 3.024 -17.157 -5.618 1.00 0.00 N ATOM 0 H ASN A 27 5.458 -15.141 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 27 7.140 -16.253 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.182 -17.779 -6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.153 -18.005 -5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.161 -17.161 -5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.987 -17.060 -6.633 1.00 0.00 H new ATOM 420 N PRO A 28 6.128 -14.957 -8.316 1.00 0.00 N ATOM 421 CA PRO A 28 5.638 -14.093 -9.399 1.00 0.00 C ATOM 422 C PRO A 28 4.480 -14.725 -10.173 1.00 0.00 C ATOM 423 O PRO A 28 4.402 -14.605 -11.404 1.00 0.00 O ATOM 424 CB PRO A 28 6.868 -13.974 -10.312 1.00 0.00 C ATOM 425 CG PRO A 28 7.620 -15.236 -10.100 1.00 0.00 C ATOM 426 CD PRO A 28 7.428 -15.584 -8.659 1.00 0.00 C ATOM 0 HA PRO A 28 5.251 -13.145 -9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.576 -13.858 -11.356 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.472 -13.105 -10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.245 -16.029 -10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.677 -15.106 -10.334 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.404 -16.663 -8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.237 -15.193 -8.041 1.00 0.00 H new ATOM 434 N THR A 29 3.556 -15.353 -9.479 1.00 0.00 N ATOM 435 CA THR A 29 2.490 -15.992 -10.137 1.00 0.00 C ATOM 436 C THR A 29 1.211 -15.178 -9.822 1.00 0.00 C ATOM 437 O THR A 29 1.259 -14.274 -8.953 1.00 0.00 O ATOM 438 CB THR A 29 2.396 -17.471 -9.686 1.00 0.00 C ATOM 439 OG1 THR A 29 2.232 -17.540 -8.262 1.00 0.00 O ATOM 440 CG2 THR A 29 3.678 -18.216 -10.058 1.00 0.00 C ATOM 0 H THR A 29 3.541 -15.422 -8.461 1.00 0.00 H new ATOM 0 HA THR A 29 2.634 -16.020 -11.217 1.00 0.00 H new ATOM 0 HB THR A 29 1.541 -17.928 -10.185 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.648 -18.361 -7.924 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.602 -19.255 -9.737 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.819 -18.180 -11.138 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.528 -17.745 -9.565 1.00 0.00 H new ATOM 448 N GLU A 30 0.087 -15.441 -10.465 1.00 0.00 N ATOM 449 CA GLU A 30 -1.062 -14.607 -10.236 1.00 0.00 C ATOM 450 C GLU A 30 -1.766 -15.040 -8.962 1.00 0.00 C ATOM 451 O GLU A 30 -2.524 -14.324 -8.431 1.00 0.00 O ATOM 452 CB GLU A 30 -2.039 -14.668 -11.411 1.00 0.00 C ATOM 453 CG GLU A 30 -3.024 -13.511 -11.432 1.00 0.00 C ATOM 454 CD GLU A 30 -2.385 -12.225 -11.917 1.00 0.00 C ATOM 455 OE1 GLU A 30 -1.339 -11.831 -11.403 1.00 0.00 O ATOM 456 OE2 GLU A 30 -2.903 -11.615 -12.887 1.00 0.00 O ATOM 0 H GLU A 30 -0.047 -16.203 -11.129 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.717 -13.578 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.475 -14.674 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.592 -15.606 -11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.865 -13.763 -12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.426 -13.360 -10.430 1.00 0.00 H new ATOM 463 N LYS A 31 -1.442 -16.209 -8.493 1.00 0.00 N ATOM 464 CA LYS A 31 -2.057 -16.851 -7.334 1.00 0.00 C ATOM 465 C LYS A 31 -2.163 -15.956 -6.091 1.00 0.00 C ATOM 466 O LYS A 31 -3.278 -15.642 -5.572 1.00 0.00 O ATOM 467 CB LYS A 31 -1.255 -18.116 -6.986 1.00 0.00 C ATOM 468 CG LYS A 31 -1.939 -18.998 -5.955 1.00 0.00 C ATOM 469 CD LYS A 31 -1.518 -18.690 -4.523 1.00 0.00 C ATOM 470 CE LYS A 31 -2.715 -18.362 -3.655 1.00 0.00 C ATOM 471 NZ LYS A 31 -2.348 -18.232 -2.232 1.00 0.00 N ATOM 0 H LYS A 31 -0.710 -16.779 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.083 -17.086 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.089 -18.694 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.274 -17.824 -6.610 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.019 -18.877 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.716 -20.042 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.987 -19.546 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.822 -17.851 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.168 -17.432 -3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.467 -19.143 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.202 -18.313 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.679 -18.986 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.904 -17.306 -2.071 1.00 0.00 H new ATOM 485 N GLU A 32 -1.034 -15.572 -5.585 1.00 0.00 N ATOM 486 CA GLU A 32 -1.010 -14.872 -4.334 1.00 0.00 C ATOM 487 C GLU A 32 -1.645 -13.529 -4.547 1.00 0.00 C ATOM 488 O GLU A 32 -2.521 -13.081 -3.784 1.00 0.00 O ATOM 489 CB GLU A 32 0.418 -14.746 -3.837 1.00 0.00 C ATOM 490 CG GLU A 32 0.514 -14.614 -2.329 1.00 0.00 C ATOM 491 CD GLU A 32 0.111 -15.911 -1.665 1.00 0.00 C ATOM 492 OE1 GLU A 32 0.982 -16.787 -1.452 1.00 0.00 O ATOM 493 OE2 GLU A 32 -1.076 -16.103 -1.382 1.00 0.00 O ATOM 0 H GLU A 32 -0.121 -15.728 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.567 -15.416 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.986 -15.620 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.883 -13.877 -4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.533 -14.352 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.131 -13.805 -1.986 1.00 0.00 H new ATOM 500 N THR A 33 -1.223 -12.959 -5.623 1.00 0.00 N ATOM 501 CA THR A 33 -1.727 -11.773 -6.178 1.00 0.00 C ATOM 502 C THR A 33 -3.249 -11.812 -6.176 1.00 0.00 C ATOM 503 O THR A 33 -3.858 -11.034 -5.522 1.00 0.00 O ATOM 504 CB THR A 33 -1.243 -11.688 -7.630 1.00 0.00 C ATOM 505 OG1 THR A 33 0.172 -11.954 -7.675 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.539 -10.327 -8.225 1.00 0.00 C ATOM 0 H THR A 33 -0.457 -13.349 -6.172 1.00 0.00 H new ATOM 0 HA THR A 33 -1.385 -10.915 -5.599 1.00 0.00 H new ATOM 0 HB THR A 33 -1.776 -12.433 -8.222 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.331 -12.802 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.185 -10.296 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.614 -10.147 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.032 -9.557 -7.643 1.00 0.00 H new ATOM 514 N GLU A 34 -3.817 -12.800 -6.824 1.00 0.00 N ATOM 515 CA GLU A 34 -5.231 -12.902 -7.043 1.00 0.00 C ATOM 516 C GLU A 34 -6.025 -12.917 -5.751 1.00 0.00 C ATOM 517 O GLU A 34 -6.940 -12.068 -5.582 1.00 0.00 O ATOM 518 CB GLU A 34 -5.581 -14.097 -7.957 1.00 0.00 C ATOM 519 CG GLU A 34 -5.569 -15.464 -7.291 1.00 0.00 C ATOM 520 CD GLU A 34 -5.793 -16.585 -8.255 1.00 0.00 C ATOM 521 OE1 GLU A 34 -6.922 -16.747 -8.754 1.00 0.00 O ATOM 522 OE2 GLU A 34 -4.865 -17.337 -8.536 1.00 0.00 O ATOM 0 H GLU A 34 -3.289 -13.576 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.531 -11.995 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.571 -13.929 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.877 -14.113 -8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.612 -15.609 -6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.340 -15.494 -6.522 1.00 0.00 H new ATOM 529 N GLU A 35 -5.651 -13.793 -4.793 1.00 0.00 N ATOM 530 CA GLU A 35 -6.474 -13.879 -3.579 1.00 0.00 C ATOM 531 C GLU A 35 -6.367 -12.581 -2.797 1.00 0.00 C ATOM 532 O GLU A 35 -7.390 -11.924 -2.435 1.00 0.00 O ATOM 533 CB GLU A 35 -6.143 -15.131 -2.638 1.00 0.00 C ATOM 534 CG GLU A 35 -4.690 -15.258 -2.177 1.00 0.00 C ATOM 535 CD GLU A 35 -4.569 -16.181 -0.995 1.00 0.00 C ATOM 536 OE1 GLU A 35 -4.598 -17.420 -1.158 1.00 0.00 O ATOM 537 OE2 GLU A 35 -4.478 -15.692 0.129 1.00 0.00 O ATOM 0 H GLU A 35 -4.840 -14.410 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.498 -14.039 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.780 -15.075 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.415 -16.042 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.078 -15.632 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.303 -14.274 -1.913 1.00 0.00 H new ATOM 544 N ILE A 36 -5.154 -12.146 -2.629 1.00 0.00 N ATOM 545 CA ILE A 36 -4.929 -11.059 -1.790 1.00 0.00 C ATOM 546 C ILE A 36 -5.330 -9.733 -2.443 1.00 0.00 C ATOM 547 O ILE A 36 -5.840 -8.878 -1.779 1.00 0.00 O ATOM 548 CB ILE A 36 -3.511 -11.019 -1.255 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.113 -12.384 -0.745 1.00 0.00 C ATOM 550 CG2 ILE A 36 -3.513 -10.093 -0.068 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.635 -12.617 -0.769 1.00 0.00 C ATOM 0 H ILE A 36 -4.323 -12.540 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.581 -11.200 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.827 -10.699 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.476 -12.503 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.604 -13.147 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.508 -10.035 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.834 -9.100 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.199 -10.473 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.418 -13.616 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.269 -12.530 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.140 -11.875 -0.142 1.00 0.00 H new ATOM 563 N THR A 37 -5.153 -9.588 -3.753 1.00 0.00 N ATOM 564 CA THR A 37 -5.552 -8.349 -4.428 1.00 0.00 C ATOM 565 C THR A 37 -7.046 -8.207 -4.443 1.00 0.00 C ATOM 566 O THR A 37 -7.554 -7.075 -4.365 1.00 0.00 O ATOM 567 CB THR A 37 -5.026 -8.198 -5.873 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.408 -9.333 -6.666 1.00 0.00 O ATOM 569 CG2 THR A 37 -3.518 -8.010 -5.901 1.00 0.00 C ATOM 0 H THR A 37 -4.744 -10.296 -4.362 1.00 0.00 H new ATOM 0 HA THR A 37 -5.088 -7.557 -3.840 1.00 0.00 H new ATOM 0 HB THR A 37 -5.478 -7.303 -6.300 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.097 -10.155 -6.232 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.183 -7.907 -6.933 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.253 -7.112 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.035 -8.875 -5.447 1.00 0.00 H new ATOM 577 N SER A 38 -7.772 -9.349 -4.541 1.00 0.00 N ATOM 578 CA SER A 38 -9.205 -9.277 -4.462 1.00 0.00 C ATOM 579 C SER A 38 -9.580 -8.754 -3.078 1.00 0.00 C ATOM 580 O SER A 38 -10.345 -7.761 -2.971 1.00 0.00 O ATOM 581 CB SER A 38 -9.897 -10.630 -4.804 1.00 0.00 C ATOM 582 OG SER A 38 -9.412 -11.153 -6.038 1.00 0.00 O ATOM 0 H SER A 38 -7.384 -10.284 -4.670 1.00 0.00 H new ATOM 0 HA SER A 38 -9.574 -8.586 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.716 -11.348 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.976 -10.486 -4.865 1.00 0.00 H new ATOM 0 HG SER A 38 -8.463 -11.381 -5.946 1.00 0.00 H new ATOM 588 N LEU A 39 -8.911 -9.314 -2.012 1.00 0.00 N ATOM 589 CA LEU A 39 -9.191 -8.876 -0.658 1.00 0.00 C ATOM 590 C LEU A 39 -8.800 -7.412 -0.535 1.00 0.00 C ATOM 591 O LEU A 39 -9.550 -6.614 0.029 1.00 0.00 O ATOM 592 CB LEU A 39 -8.424 -9.724 0.393 1.00 0.00 C ATOM 593 CG LEU A 39 -8.834 -9.542 1.843 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.251 -10.020 2.062 1.00 0.00 C ATOM 595 CD2 LEU A 39 -7.853 -10.278 2.741 1.00 0.00 C ATOM 0 H LEU A 39 -8.203 -10.044 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.255 -9.006 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.543 -10.776 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.362 -9.493 0.308 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.809 -8.482 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.525 -9.880 3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.930 -9.448 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.322 -11.077 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.146 -10.148 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.858 -11.339 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.851 -9.875 2.593 1.00 0.00 H new ATOM 607 N TRP A 40 -7.676 -7.051 -1.182 1.00 0.00 N ATOM 608 CA TRP A 40 -7.122 -5.749 -1.108 1.00 0.00 C ATOM 609 C TRP A 40 -7.998 -4.734 -1.721 1.00 0.00 C ATOM 610 O TRP A 40 -8.819 -4.168 -1.036 1.00 0.00 O ATOM 611 CB TRP A 40 -5.724 -5.647 -1.716 1.00 0.00 C ATOM 612 CG TRP A 40 -4.610 -6.073 -0.831 1.00 0.00 C ATOM 613 CD1 TRP A 40 -4.620 -6.161 0.526 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.293 -6.411 -1.250 1.00 0.00 C ATOM 615 NE1 TRP A 40 -3.378 -6.519 0.973 1.00 0.00 N ATOM 616 CE2 TRP A 40 -2.542 -6.673 -0.105 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.678 -6.513 -2.488 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -1.185 -7.023 -0.167 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.352 -6.871 -2.537 1.00 0.00 C ATOM 620 CH2 TRP A 40 -0.624 -7.110 -1.387 1.00 0.00 C ATOM 0 H TRP A 40 -7.143 -7.690 -1.772 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.035 -5.547 -0.040 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.696 -6.251 -2.623 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.552 -4.613 -2.016 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.478 -5.976 1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.115 -6.650 1.950 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.229 -6.315 -3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.613 -7.215 0.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.867 -6.968 -3.497 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.420 -7.373 -1.469 1.00 0.00 H new ATOM 631 N GLN A 41 -7.918 -4.544 -3.032 1.00 0.00 N ATOM 632 CA GLN A 41 -8.585 -3.409 -3.587 1.00 0.00 C ATOM 633 C GLN A 41 -10.104 -3.559 -3.563 1.00 0.00 C ATOM 634 O GLN A 41 -10.826 -2.547 -3.663 1.00 0.00 O ATOM 635 CB GLN A 41 -7.932 -2.847 -4.908 1.00 0.00 C ATOM 636 CG GLN A 41 -8.454 -3.335 -6.254 1.00 0.00 C ATOM 637 CD GLN A 41 -9.530 -2.394 -6.795 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.721 -2.574 -6.540 1.00 0.00 O ATOM 639 NE2 GLN A 41 -9.115 -1.371 -7.521 1.00 0.00 N ATOM 0 H GLN A 41 -7.418 -5.139 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.407 -2.573 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.033 -1.762 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.866 -3.069 -4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.631 -3.400 -6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.864 -4.339 -6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.120 -1.252 -7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.789 -0.700 -7.889 1.00 0.00 H new ATOM 648 N GLY A 42 -10.584 -4.815 -3.320 1.00 0.00 N ATOM 649 CA GLY A 42 -11.976 -5.028 -3.077 1.00 0.00 C ATOM 650 C GLY A 42 -12.387 -4.326 -1.792 1.00 0.00 C ATOM 651 O GLY A 42 -13.287 -3.499 -1.809 1.00 0.00 O ATOM 0 H GLY A 42 -10.010 -5.658 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.563 -4.649 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.182 -6.096 -3.001 1.00 0.00 H new ATOM 655 N SER A 43 -11.676 -4.592 -0.679 1.00 0.00 N ATOM 656 CA SER A 43 -12.006 -3.915 0.573 1.00 0.00 C ATOM 657 C SER A 43 -11.576 -2.442 0.512 1.00 0.00 C ATOM 658 O SER A 43 -12.215 -1.572 1.103 1.00 0.00 O ATOM 659 CB SER A 43 -11.376 -4.622 1.786 1.00 0.00 C ATOM 660 OG SER A 43 -9.960 -4.655 1.688 1.00 0.00 O ATOM 0 H SER A 43 -10.897 -5.249 -0.627 1.00 0.00 H new ATOM 0 HA SER A 43 -13.088 -3.958 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.667 -4.106 2.701 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.761 -5.639 1.857 1.00 0.00 H new ATOM 0 HG SER A 43 -9.692 -5.361 1.064 1.00 0.00 H new ATOM 666 N LEU A 44 -10.510 -2.167 -0.251 1.00 0.00 N ATOM 667 CA LEU A 44 -9.998 -0.810 -0.423 1.00 0.00 C ATOM 668 C LEU A 44 -11.053 0.081 -1.096 1.00 0.00 C ATOM 669 O LEU A 44 -11.108 1.290 -0.848 1.00 0.00 O ATOM 670 CB LEU A 44 -8.636 -0.784 -1.198 1.00 0.00 C ATOM 671 CG LEU A 44 -7.506 -1.700 -0.675 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.107 -1.436 -1.334 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.465 -1.702 0.839 1.00 0.00 C ATOM 0 H LEU A 44 -9.984 -2.877 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.793 -0.406 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.833 -1.051 -2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.267 0.242 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.756 -2.711 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.371 -2.120 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.176 -1.596 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.801 -0.408 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.661 -2.354 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.288 -0.689 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.416 -2.064 1.228 1.00 0.00 H new ATOM 685 N PHE A 45 -11.908 -0.526 -1.927 1.00 0.00 N ATOM 686 CA PHE A 45 -12.992 0.219 -2.548 1.00 0.00 C ATOM 687 C PHE A 45 -14.249 0.114 -1.667 1.00 0.00 C ATOM 688 O PHE A 45 -15.043 1.052 -1.588 1.00 0.00 O ATOM 689 CB PHE A 45 -13.277 -0.321 -3.962 1.00 0.00 C ATOM 690 CG PHE A 45 -14.019 0.629 -4.856 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.322 1.556 -5.612 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.392 0.599 -4.951 1.00 0.00 C ATOM 693 CE1 PHE A 45 -13.981 2.429 -6.442 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.059 1.473 -5.780 1.00 0.00 C ATOM 695 CZ PHE A 45 -15.351 2.390 -6.526 1.00 0.00 C ATOM 0 H PHE A 45 -11.867 -1.514 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.703 1.266 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.330 -0.580 -4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.853 -1.243 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.245 1.593 -5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.952 -0.118 -4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.423 3.145 -7.027 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.137 1.440 -5.845 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.873 3.077 -7.176 1.00 0.00 H new ATOM 705 N ASN A 46 -14.384 -1.012 -0.965 1.00 0.00 N ATOM 706 CA ASN A 46 -15.547 -1.292 -0.110 1.00 0.00 C ATOM 707 C ASN A 46 -15.618 -0.348 1.087 1.00 0.00 C ATOM 708 O ASN A 46 -16.704 0.073 1.493 1.00 0.00 O ATOM 709 CB ASN A 46 -15.562 -2.780 0.343 1.00 0.00 C ATOM 710 CG ASN A 46 -16.683 -3.115 1.317 1.00 0.00 C ATOM 711 OD1 ASN A 46 -16.518 -3.010 2.534 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.794 -3.567 0.805 1.00 0.00 N ATOM 0 H ASN A 46 -13.690 -1.760 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.439 -1.113 -0.710 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.655 -3.417 -0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.606 -3.018 0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.561 -3.847 1.417 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.896 -3.641 -0.207 1.00 0.00 H new ATOM 719 N ALA A 47 -14.462 0.031 1.617 1.00 0.00 N ATOM 720 CA ALA A 47 -14.413 0.940 2.748 1.00 0.00 C ATOM 721 C ALA A 47 -14.428 2.383 2.257 1.00 0.00 C ATOM 722 O ALA A 47 -14.416 3.320 3.054 1.00 0.00 O ATOM 723 CB ALA A 47 -13.185 0.666 3.598 1.00 0.00 C ATOM 0 H ALA A 47 -13.550 -0.278 1.281 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.293 0.779 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.165 1.357 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.220 -0.358 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.287 0.803 2.995 1.00 0.00 H new ATOM 729 N ASN A 48 -14.454 2.524 0.931 1.00 0.00 N ATOM 730 CA ASN A 48 -14.521 3.799 0.221 1.00 0.00 C ATOM 731 C ASN A 48 -13.357 4.744 0.623 1.00 0.00 C ATOM 732 O ASN A 48 -13.588 5.844 1.139 1.00 0.00 O ATOM 733 CB ASN A 48 -15.898 4.486 0.473 1.00 0.00 C ATOM 734 CG ASN A 48 -16.191 5.648 -0.489 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.857 6.804 -0.230 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.826 5.349 -1.599 1.00 0.00 N ATOM 0 H ASN A 48 -14.428 1.723 0.300 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.418 3.592 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.688 3.741 0.381 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.927 4.857 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.053 6.083 -2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.092 4.383 -1.790 1.00 0.00 H new ATOM 743 N TYR A 49 -12.098 4.304 0.475 1.00 0.00 N ATOM 744 CA TYR A 49 -11.009 5.193 0.730 1.00 0.00 C ATOM 745 C TYR A 49 -10.695 5.911 -0.622 1.00 0.00 C ATOM 746 O TYR A 49 -10.986 5.329 -1.679 1.00 0.00 O ATOM 747 CB TYR A 49 -9.796 4.395 1.208 1.00 0.00 C ATOM 748 CG TYR A 49 -9.687 4.068 2.670 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.706 5.048 3.648 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.535 2.757 3.060 1.00 0.00 C ATOM 751 CE1 TYR A 49 -9.578 4.712 4.986 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.401 2.405 4.379 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.423 3.386 5.344 1.00 0.00 C ATOM 754 OH TYR A 49 -9.287 3.042 6.674 1.00 0.00 O ATOM 0 H TYR A 49 -11.836 3.361 0.187 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.255 5.919 1.505 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.778 3.456 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.901 4.949 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.822 6.084 3.365 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.521 1.984 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.599 5.481 5.744 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.279 1.369 4.657 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.189 2.070 6.752 1.00 0.00 H new ATOM 764 N ASP A 50 -10.102 7.119 -0.634 1.00 0.00 N ATOM 765 CA ASP A 50 -9.877 7.814 -1.905 1.00 0.00 C ATOM 766 C ASP A 50 -8.510 7.465 -2.459 1.00 0.00 C ATOM 767 O ASP A 50 -7.548 8.219 -2.368 1.00 0.00 O ATOM 768 CB ASP A 50 -10.083 9.327 -1.753 1.00 0.00 C ATOM 769 CG ASP A 50 -9.862 10.114 -3.025 1.00 0.00 C ATOM 770 OD1 ASP A 50 -10.400 9.729 -4.092 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.211 11.176 -2.961 1.00 0.00 O ATOM 0 H ASP A 50 -9.781 7.617 0.196 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.618 7.474 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.097 9.510 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.404 9.699 -0.986 1.00 0.00 H new ATOM 776 N VAL A 51 -8.433 6.295 -3.002 1.00 0.00 N ATOM 777 CA VAL A 51 -7.193 5.707 -3.457 1.00 0.00 C ATOM 778 C VAL A 51 -7.372 4.979 -4.777 1.00 0.00 C ATOM 779 O VAL A 51 -8.489 4.686 -5.191 1.00 0.00 O ATOM 780 CB VAL A 51 -6.657 4.688 -2.413 1.00 0.00 C ATOM 781 CG1 VAL A 51 -5.948 5.355 -1.265 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.795 3.903 -1.867 1.00 0.00 C ATOM 0 H VAL A 51 -9.246 5.697 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.485 6.525 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.940 4.048 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.594 4.597 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.099 5.924 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.637 6.027 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.424 3.186 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.506 4.577 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.291 3.369 -2.678 1.00 0.00 H new ATOM 792 N GLN A 52 -6.274 4.649 -5.381 1.00 0.00 N ATOM 793 CA GLN A 52 -6.210 3.913 -6.641 1.00 0.00 C ATOM 794 C GLN A 52 -5.430 2.664 -6.356 1.00 0.00 C ATOM 795 O GLN A 52 -4.347 2.736 -5.871 1.00 0.00 O ATOM 796 CB GLN A 52 -5.438 4.754 -7.638 1.00 0.00 C ATOM 797 CG GLN A 52 -5.246 4.149 -9.015 1.00 0.00 C ATOM 798 CD GLN A 52 -4.183 4.895 -9.805 1.00 0.00 C ATOM 799 OE1 GLN A 52 -3.506 4.322 -10.660 1.00 0.00 O ATOM 800 NE2 GLN A 52 -4.023 6.165 -9.534 1.00 0.00 N ATOM 0 H GLN A 52 -5.354 4.886 -5.010 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.200 3.686 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.951 5.709 -7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.455 4.968 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.961 3.102 -8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.190 4.173 -9.559 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.599 6.611 -8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.322 6.709 -10.037 1.00 0.00 H new ATOM 809 N ARG A 53 -5.979 1.532 -6.585 1.00 0.00 N ATOM 810 CA ARG A 53 -5.268 0.323 -6.260 1.00 0.00 C ATOM 811 C ARG A 53 -5.364 -0.576 -7.410 1.00 0.00 C ATOM 812 O ARG A 53 -6.457 -0.833 -7.908 1.00 0.00 O ATOM 813 CB ARG A 53 -5.766 -0.363 -4.992 1.00 0.00 C ATOM 814 CG ARG A 53 -5.892 0.523 -3.780 1.00 0.00 C ATOM 815 CD ARG A 53 -7.114 1.349 -3.847 1.00 0.00 C ATOM 816 NE ARG A 53 -8.319 0.534 -4.086 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.419 0.937 -4.749 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.549 2.186 -5.156 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.395 0.078 -4.984 1.00 0.00 N ATOM 0 H ARG A 53 -6.906 1.401 -6.990 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.231 0.586 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.740 -0.806 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.087 -1.182 -4.753 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.913 -0.090 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.017 1.169 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.229 1.902 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.011 2.086 -4.644 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.319 -0.417 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.809 2.863 -4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.389 2.474 -5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.313 -0.887 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.230 0.380 -5.486 1.00 0.00 H new ATOM 833 N PHE A 54 -4.263 -1.050 -7.837 1.00 0.00 N ATOM 834 CA PHE A 54 -4.243 -1.711 -9.113 1.00 0.00 C ATOM 835 C PHE A 54 -3.457 -2.988 -9.069 1.00 0.00 C ATOM 836 O PHE A 54 -2.492 -3.109 -8.298 1.00 0.00 O ATOM 837 CB PHE A 54 -3.691 -0.734 -10.182 1.00 0.00 C ATOM 838 CG PHE A 54 -3.822 -1.195 -11.614 1.00 0.00 C ATOM 839 CD1 PHE A 54 -5.068 -1.263 -12.217 1.00 0.00 C ATOM 840 CD2 PHE A 54 -2.706 -1.550 -12.355 1.00 0.00 C ATOM 841 CE1 PHE A 54 -5.197 -1.677 -13.527 1.00 0.00 C ATOM 842 CE2 PHE A 54 -2.830 -1.965 -13.666 1.00 0.00 C ATOM 843 CZ PHE A 54 -4.077 -2.029 -14.253 1.00 0.00 C ATOM 0 H PHE A 54 -3.370 -1.004 -7.347 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.262 -1.992 -9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.207 0.221 -10.077 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.637 -0.551 -9.972 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.948 -0.989 -11.655 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.727 -1.501 -11.901 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.174 -1.726 -13.984 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.952 -2.239 -14.231 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.177 -2.354 -15.278 1.00 0.00 H new ATOM 853 N ILE A 55 -3.883 -3.944 -9.839 1.00 0.00 N ATOM 854 CA ILE A 55 -3.121 -5.138 -10.026 1.00 0.00 C ATOM 855 C ILE A 55 -2.263 -4.919 -11.264 1.00 0.00 C ATOM 856 O ILE A 55 -2.742 -5.048 -12.392 1.00 0.00 O ATOM 857 CB ILE A 55 -4.014 -6.381 -10.265 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.097 -6.500 -9.188 1.00 0.00 C ATOM 859 CG2 ILE A 55 -3.148 -7.640 -10.273 1.00 0.00 C ATOM 860 CD1 ILE A 55 -6.090 -7.615 -9.452 1.00 0.00 C ATOM 0 H ILE A 55 -4.764 -3.917 -10.352 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.534 -5.328 -9.127 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.508 -6.269 -11.230 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.621 -6.669 -8.222 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.634 -5.554 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.778 -8.514 -10.441 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.408 -7.567 -11.070 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.640 -7.738 -9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.828 -7.642 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.593 -7.437 -10.403 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.564 -8.569 -9.493 1.00 0.00 H new ATOM 872 N VAL A 56 -1.038 -4.510 -11.053 1.00 0.00 N ATOM 873 CA VAL A 56 -0.101 -4.286 -12.114 1.00 0.00 C ATOM 874 C VAL A 56 0.289 -5.629 -12.689 1.00 0.00 C ATOM 875 O VAL A 56 0.474 -5.773 -13.903 1.00 0.00 O ATOM 876 CB VAL A 56 1.153 -3.515 -11.592 1.00 0.00 C ATOM 877 CG1 VAL A 56 2.115 -3.147 -12.710 1.00 0.00 C ATOM 878 CG2 VAL A 56 0.734 -2.268 -10.852 1.00 0.00 C ATOM 0 H VAL A 56 -0.662 -4.322 -10.124 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.556 -3.670 -12.890 1.00 0.00 H new ATOM 0 HB VAL A 56 1.677 -4.188 -10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.969 -2.613 -12.294 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.461 -4.054 -13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.606 -2.510 -13.433 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.619 -1.742 -10.495 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.172 -1.618 -11.523 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.107 -2.542 -10.003 1.00 0.00 H new ATOM 888 N GLY A 57 0.359 -6.630 -11.833 1.00 0.00 N ATOM 889 CA GLY A 57 0.659 -7.938 -12.328 1.00 0.00 C ATOM 890 C GLY A 57 0.860 -8.947 -11.265 1.00 0.00 C ATOM 891 O GLY A 57 0.569 -8.708 -10.102 1.00 0.00 O ATOM 0 H GLY A 57 0.216 -6.558 -10.826 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.153 -8.265 -12.978 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.558 -7.887 -12.942 1.00 0.00 H new ATOM 895 N SER A 58 1.386 -10.055 -11.662 1.00 0.00 N ATOM 896 CA SER A 58 1.643 -11.135 -10.780 1.00 0.00 C ATOM 897 C SER A 58 2.766 -10.756 -9.864 1.00 0.00 C ATOM 898 O SER A 58 3.835 -10.305 -10.344 1.00 0.00 O ATOM 899 CB SER A 58 1.991 -12.347 -11.604 1.00 0.00 C ATOM 900 OG SER A 58 0.913 -12.651 -12.472 1.00 0.00 O ATOM 0 H SER A 58 1.654 -10.236 -12.629 1.00 0.00 H new ATOM 0 HA SER A 58 0.769 -11.365 -10.170 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.896 -12.160 -12.182 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.198 -13.196 -10.953 1.00 0.00 H new ATOM 0 HG SER A 58 0.073 -12.345 -12.070 1.00 0.00 H new ATOM 906 N ASP A 59 2.491 -10.829 -8.548 1.00 0.00 N ATOM 907 CA ASP A 59 3.448 -10.482 -7.497 1.00 0.00 C ATOM 908 C ASP A 59 3.500 -8.955 -7.338 1.00 0.00 C ATOM 909 O ASP A 59 4.111 -8.442 -6.422 1.00 0.00 O ATOM 910 CB ASP A 59 4.846 -11.160 -7.778 1.00 0.00 C ATOM 911 CG ASP A 59 6.036 -10.750 -6.909 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.684 -9.725 -7.231 1.00 0.00 O ATOM 913 OD2 ASP A 59 6.428 -11.503 -6.000 1.00 0.00 O ATOM 0 H ASP A 59 1.587 -11.134 -8.188 1.00 0.00 H new ATOM 0 HA ASP A 59 3.126 -10.880 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.719 -12.238 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.109 -10.962 -8.817 1.00 0.00 H new ATOM 918 N ARG A 60 2.732 -8.230 -8.175 1.00 0.00 N ATOM 919 CA ARG A 60 2.771 -6.782 -8.165 1.00 0.00 C ATOM 920 C ARG A 60 1.370 -6.171 -7.992 1.00 0.00 C ATOM 921 O ARG A 60 0.509 -6.274 -8.873 1.00 0.00 O ATOM 922 CB ARG A 60 3.387 -6.253 -9.454 1.00 0.00 C ATOM 923 CG ARG A 60 3.806 -4.809 -9.332 1.00 0.00 C ATOM 924 CD ARG A 60 4.949 -4.694 -8.340 1.00 0.00 C ATOM 925 NE ARG A 60 6.192 -5.279 -8.875 1.00 0.00 N ATOM 926 CZ ARG A 60 6.796 -6.385 -8.425 1.00 0.00 C ATOM 927 NH1 ARG A 60 6.233 -7.115 -7.490 1.00 0.00 N ATOM 928 NH2 ARG A 60 7.956 -6.753 -8.932 1.00 0.00 N ATOM 0 H ARG A 60 2.088 -8.633 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 60 3.385 -6.489 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.253 -6.860 -9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.668 -6.354 -10.267 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.115 -4.426 -10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.963 -4.201 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.116 -3.645 -8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.679 -5.198 -7.412 1.00 0.00 H new ATOM 0 HE ARG A 60 6.631 -4.797 -9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.330 -6.840 -7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.698 -7.957 -7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.392 -6.195 -9.666 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.418 -7.596 -8.590 1.00 0.00 H new ATOM 942 N ALA A 61 1.194 -5.462 -6.921 1.00 0.00 N ATOM 943 CA ALA A 61 -0.073 -4.865 -6.577 1.00 0.00 C ATOM 944 C ALA A 61 0.180 -3.458 -6.171 1.00 0.00 C ATOM 945 O ALA A 61 1.356 -3.093 -5.982 1.00 0.00 O ATOM 946 CB ALA A 61 -0.671 -5.619 -5.427 1.00 0.00 C ATOM 0 H ALA A 61 1.935 -5.275 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.759 -4.897 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.630 -5.175 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.821 -6.660 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.002 -5.571 -4.571 1.00 0.00 H new ATOM 952 N ILE A 62 -0.847 -2.613 -6.094 1.00 0.00 N ATOM 953 CA ILE A 62 -0.611 -1.309 -5.558 1.00 0.00 C ATOM 954 C ILE A 62 -1.766 -0.883 -4.781 1.00 0.00 C ATOM 955 O ILE A 62 -2.925 -1.300 -5.085 1.00 0.00 O ATOM 956 CB ILE A 62 -0.407 -0.153 -6.621 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.751 0.563 -6.958 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.230 -0.664 -7.877 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.599 1.723 -7.921 1.00 0.00 C ATOM 0 H ILE A 62 -1.804 -2.811 -6.386 1.00 0.00 H new ATOM 0 HA ILE A 62 0.310 -1.432 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 62 0.265 0.574 -6.166 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.442 -0.164 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.201 0.926 -6.034 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.354 0.158 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.205 -1.091 -7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.405 -1.431 -8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.575 2.171 -8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.933 2.470 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.179 1.363 -8.860 1.00 0.00 H new ATOM 971 N PHE A 63 -1.472 -0.027 -3.852 1.00 0.00 N ATOM 972 CA PHE A 63 -2.439 0.791 -3.252 1.00 0.00 C ATOM 973 C PHE A 63 -1.894 2.199 -3.253 1.00 0.00 C ATOM 974 O PHE A 63 -0.909 2.532 -2.591 1.00 0.00 O ATOM 975 CB PHE A 63 -3.034 0.290 -1.906 1.00 0.00 C ATOM 976 CG PHE A 63 -2.145 0.147 -0.720 1.00 0.00 C ATOM 977 CD1 PHE A 63 -1.174 -0.837 -0.665 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.335 0.962 0.390 1.00 0.00 C ATOM 979 CE1 PHE A 63 -0.408 -0.995 0.467 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.568 0.807 1.499 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.606 -0.170 1.546 1.00 0.00 C ATOM 0 H PHE A 63 -0.528 0.113 -3.493 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.351 0.755 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.839 0.972 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.490 -0.683 -2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.016 -1.484 -1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.099 1.725 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.347 -1.766 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.716 1.456 2.349 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.003 -0.290 2.434 1.00 0.00 H new ATOM 991 N MET A 64 -2.423 2.959 -4.142 1.00 0.00 N ATOM 992 CA MET A 64 -1.976 4.328 -4.356 1.00 0.00 C ATOM 993 C MET A 64 -2.752 5.283 -3.496 1.00 0.00 C ATOM 994 O MET A 64 -3.946 5.508 -3.713 1.00 0.00 O ATOM 995 CB MET A 64 -2.011 4.704 -5.853 1.00 0.00 C ATOM 996 CG MET A 64 -1.612 6.136 -6.182 1.00 0.00 C ATOM 997 SD MET A 64 -1.217 6.351 -7.924 1.00 0.00 S ATOM 998 CE MET A 64 -0.757 8.079 -7.931 1.00 0.00 C ATOM 0 H MET A 64 -3.184 2.667 -4.756 1.00 0.00 H new ATOM 0 HA MET A 64 -0.933 4.403 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.349 4.028 -6.394 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.019 4.531 -6.229 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.425 6.809 -5.910 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.749 6.418 -5.578 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.481 8.378 -8.942 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.600 8.681 -7.591 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.091 8.232 -7.264 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.047 5.809 -2.528 1.00 0.00 N ATOM 1009 CA LEU A 65 -2.543 6.687 -1.495 1.00 0.00 C ATOM 1010 C LEU A 65 -2.745 8.034 -2.011 1.00 0.00 C ATOM 1011 O LEU A 65 -1.924 8.534 -2.771 1.00 0.00 O ATOM 1012 CB LEU A 65 -1.532 6.951 -0.418 1.00 0.00 C ATOM 1013 CG LEU A 65 -0.986 5.885 0.444 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.194 4.831 -0.316 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.120 6.592 1.422 1.00 0.00 C ATOM 0 H LEU A 65 -1.048 5.625 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.441 6.184 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.679 7.426 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.974 7.693 0.248 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.796 5.327 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.176 4.080 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.839 4.354 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.648 5.303 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.326 5.867 2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.669 7.125 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.719 7.303 1.991 1.00 0.00 H new ATOM 1027 N ARG A 66 -3.742 8.655 -1.508 1.00 0.00 N ATOM 1028 CA ARG A 66 -3.979 10.054 -1.843 1.00 0.00 C ATOM 1029 C ARG A 66 -3.958 11.056 -0.651 1.00 0.00 C ATOM 1030 O ARG A 66 -3.148 11.985 -0.672 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.145 10.287 -2.820 1.00 0.00 C ATOM 1032 CG ARG A 66 -5.349 11.751 -3.160 1.00 0.00 C ATOM 1033 CD ARG A 66 -6.508 11.955 -4.100 1.00 0.00 C ATOM 1034 NE ARG A 66 -6.694 13.375 -4.426 1.00 0.00 N ATOM 1035 CZ ARG A 66 -7.852 13.931 -4.782 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -8.985 13.252 -4.650 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -7.886 15.198 -5.182 1.00 0.00 N ATOM 0 H ARG A 66 -4.418 8.243 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.078 10.309 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.960 9.729 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.062 9.890 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.522 12.315 -2.244 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.441 12.148 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.338 11.390 -5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.418 11.562 -3.647 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.875 13.981 -4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.970 12.303 -4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.870 13.679 -4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.026 15.745 -5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.772 15.623 -5.454 1.00 0.00 H new ATOM 1051 N ASP A 67 -4.814 10.895 0.385 1.00 0.00 N ATOM 1052 CA ASP A 67 -4.853 11.895 1.488 1.00 0.00 C ATOM 1053 C ASP A 67 -3.605 11.897 2.429 1.00 0.00 C ATOM 1054 O ASP A 67 -3.604 12.619 3.404 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.100 11.660 2.360 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.489 12.863 3.195 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -6.959 13.880 2.613 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.369 12.802 4.437 1.00 0.00 O ATOM 0 H ASP A 67 -5.465 10.116 0.484 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.870 12.862 0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.937 11.388 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.917 10.813 3.021 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.519 11.158 2.116 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.411 10.952 3.073 1.00 0.00 C ATOM 1065 C GLY A 68 -1.787 10.280 4.429 1.00 0.00 C ATOM 1066 O GLY A 68 -0.963 9.627 5.064 1.00 0.00 O ATOM 0 H GLY A 68 -2.386 10.698 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.649 10.342 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.957 11.920 3.285 1.00 0.00 H new ATOM 1070 N SER A 69 -3.009 10.406 4.817 1.00 0.00 N ATOM 1071 CA SER A 69 -3.477 10.032 6.140 1.00 0.00 C ATOM 1072 C SER A 69 -3.892 8.548 6.252 1.00 0.00 C ATOM 1073 O SER A 69 -4.522 8.155 7.238 1.00 0.00 O ATOM 1074 CB SER A 69 -4.664 10.932 6.473 1.00 0.00 C ATOM 1075 OG SER A 69 -4.373 12.284 6.171 1.00 0.00 O ATOM 0 H SER A 69 -3.744 10.781 4.218 1.00 0.00 H new ATOM 0 HA SER A 69 -2.655 10.161 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.539 10.610 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.913 10.837 7.530 1.00 0.00 H new ATOM 0 HG SER A 69 -5.022 12.620 5.518 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.498 7.725 5.297 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.902 6.343 5.276 1.00 0.00 C ATOM 1083 C TYR A 70 -3.028 5.543 4.330 1.00 0.00 C ATOM 1084 O TYR A 70 -2.704 6.046 3.263 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.418 6.201 4.906 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.902 6.979 3.659 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -5.384 6.727 2.401 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.899 7.952 3.753 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.815 7.394 1.301 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -7.341 8.617 2.640 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.799 8.333 1.418 1.00 0.00 C ATOM 1092 OH TYR A 70 -7.223 9.001 0.309 1.00 0.00 O ATOM 0 H TYR A 70 -2.894 7.999 4.522 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.771 5.938 6.279 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.634 5.144 4.753 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.010 6.527 5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.614 5.978 2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.328 8.184 4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.381 7.183 0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.116 9.364 2.728 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.190 8.402 -0.466 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.595 4.352 4.796 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.871 3.301 4.032 1.00 0.00 C ATOM 1104 C ALA A 71 -1.057 2.398 4.949 1.00 0.00 C ATOM 1105 O ALA A 71 -0.909 1.213 4.685 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.952 3.822 2.953 1.00 0.00 C ATOM 0 H ALA A 71 -2.747 4.078 5.767 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.670 2.743 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.469 2.984 2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.530 4.395 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.193 4.464 3.400 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.561 2.932 6.042 1.00 0.00 N ATOM 1113 CA TRP A 72 0.325 2.165 6.899 1.00 0.00 C ATOM 1114 C TRP A 72 -0.436 1.115 7.712 1.00 0.00 C ATOM 1115 O TRP A 72 0.048 -0.019 7.942 1.00 0.00 O ATOM 1116 CB TRP A 72 1.319 3.088 7.689 1.00 0.00 C ATOM 1117 CG TRP A 72 2.430 3.571 6.762 1.00 0.00 C ATOM 1118 CD1 TRP A 72 3.693 3.097 6.712 1.00 0.00 C ATOM 1119 CD2 TRP A 72 2.329 4.548 5.699 1.00 0.00 C ATOM 1120 NE1 TRP A 72 4.397 3.694 5.699 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.554 4.580 5.016 1.00 0.00 C ATOM 1122 CE3 TRP A 72 1.323 5.373 5.261 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.737 5.437 3.850 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 1.512 6.165 4.190 1.00 0.00 C ATOM 1125 CH2 TRP A 72 2.698 6.170 3.492 1.00 0.00 C ATOM 0 H TRP A 72 -0.751 3.883 6.359 1.00 0.00 H new ATOM 0 HA TRP A 72 0.988 1.563 6.278 1.00 0.00 H new ATOM 0 HB2 TRP A 72 0.784 3.942 8.104 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.747 2.541 8.529 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.094 2.349 7.380 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.378 3.521 5.478 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.375 5.386 5.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.671 5.470 3.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.711 6.815 3.869 1.00 0.00 H new ATOM 0 HH2 TRP A 72 2.783 6.798 2.617 1.00 0.00 H new ATOM 1136 N GLU A 73 -1.671 1.436 8.026 1.00 0.00 N ATOM 1137 CA GLU A 73 -2.563 0.495 8.672 1.00 0.00 C ATOM 1138 C GLU A 73 -2.895 -0.612 7.662 1.00 0.00 C ATOM 1139 O GLU A 73 -2.961 -1.831 7.995 1.00 0.00 O ATOM 1140 CB GLU A 73 -3.813 1.230 9.090 1.00 0.00 C ATOM 1141 CG GLU A 73 -4.865 0.410 9.772 1.00 0.00 C ATOM 1142 CD GLU A 73 -5.995 1.282 10.189 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -5.894 1.902 11.263 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -6.968 1.428 9.420 1.00 0.00 O ATOM 0 H GLU A 73 -2.085 2.350 7.843 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.105 0.051 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.526 2.043 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.255 1.686 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.224 -0.369 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.441 -0.091 10.642 1.00 0.00 H new ATOM 1151 N ILE A 74 -3.038 -0.176 6.411 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.301 -1.056 5.313 1.00 0.00 C ATOM 1153 C ILE A 74 -2.127 -2.076 5.134 1.00 0.00 C ATOM 1154 O ILE A 74 -2.358 -3.304 4.995 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.576 -0.281 3.965 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.911 0.470 3.965 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.579 -1.263 2.851 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.906 1.762 3.177 1.00 0.00 C ATOM 0 H ILE A 74 -2.971 0.807 6.147 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.213 -1.601 5.554 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.789 0.464 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.682 -0.185 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.190 0.689 4.996 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.768 -0.746 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.611 -1.762 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.361 -2.004 3.021 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.891 2.226 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.162 2.440 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.661 1.552 2.136 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.866 -1.586 5.213 1.00 0.00 N ATOM 1171 CA LYS A 75 0.267 -2.457 5.017 1.00 0.00 C ATOM 1172 C LYS A 75 0.418 -3.413 6.180 1.00 0.00 C ATOM 1173 O LYS A 75 0.922 -4.539 6.026 1.00 0.00 O ATOM 1174 CB LYS A 75 1.576 -1.698 4.614 1.00 0.00 C ATOM 1175 CG LYS A 75 2.145 -0.674 5.606 1.00 0.00 C ATOM 1176 CD LYS A 75 2.918 -1.314 6.765 1.00 0.00 C ATOM 1177 CE LYS A 75 4.140 -2.083 6.265 1.00 0.00 C ATOM 1178 NZ LYS A 75 4.933 -2.648 7.374 1.00 0.00 N ATOM 0 H LYS A 75 -0.634 -0.612 5.407 1.00 0.00 H new ATOM 0 HA LYS A 75 0.064 -3.074 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.349 -2.442 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.388 -1.183 3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.805 0.010 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.327 -0.077 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.235 -0.540 7.464 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.261 -1.989 7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.816 -2.888 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.769 -1.418 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.752 -3.161 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.265 -1.879 7.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.342 -3.303 7.925 1.00 0.00 H new ATOM 1192 N ASP A 76 -0.039 -2.988 7.346 1.00 0.00 N ATOM 1193 CA ASP A 76 -0.097 -3.912 8.463 1.00 0.00 C ATOM 1194 C ASP A 76 -1.041 -5.077 8.131 1.00 0.00 C ATOM 1195 O ASP A 76 -0.639 -6.251 8.257 1.00 0.00 O ATOM 1196 CB ASP A 76 -0.531 -3.234 9.748 1.00 0.00 C ATOM 1197 CG ASP A 76 -0.675 -4.211 10.898 1.00 0.00 C ATOM 1198 OD1 ASP A 76 0.351 -4.655 11.458 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -1.827 -4.526 11.276 1.00 0.00 O ATOM 0 H ASP A 76 -0.365 -2.041 7.540 1.00 0.00 H new ATOM 0 HA ASP A 76 0.911 -4.293 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.197 -2.468 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.482 -2.727 9.585 1.00 0.00 H new ATOM 1204 N PHE A 77 -2.274 -4.763 7.626 1.00 0.00 N ATOM 1205 CA PHE A 77 -3.258 -5.841 7.288 1.00 0.00 C ATOM 1206 C PHE A 77 -2.636 -6.821 6.319 1.00 0.00 C ATOM 1207 O PHE A 77 -2.730 -8.066 6.473 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.542 -5.338 6.593 1.00 0.00 C ATOM 1209 CG PHE A 77 -5.313 -4.242 7.265 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -5.614 -4.308 8.612 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.754 -3.145 6.533 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -6.338 -3.306 9.221 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.479 -2.143 7.139 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.770 -2.224 8.483 1.00 0.00 C ATOM 0 H PHE A 77 -2.601 -3.813 7.450 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.521 -6.282 8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.271 -4.994 5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.211 -6.190 6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.278 -5.154 9.194 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.526 -3.078 5.479 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.567 -3.368 10.275 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.819 -1.296 6.562 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.338 -1.439 8.960 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.990 -6.286 5.320 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.415 -7.120 4.337 1.00 0.00 C ATOM 1226 C LEU A 78 -0.307 -8.030 4.854 1.00 0.00 C ATOM 1227 O LEU A 78 -0.353 -9.222 4.633 1.00 0.00 O ATOM 1228 CB LEU A 78 -1.084 -6.390 3.082 1.00 0.00 C ATOM 1229 CG LEU A 78 -0.216 -5.190 3.142 1.00 0.00 C ATOM 1230 CD1 LEU A 78 1.242 -5.569 3.193 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -0.504 -4.391 1.955 1.00 0.00 C ATOM 0 H LEU A 78 -1.857 -5.285 5.178 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.201 -7.822 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.611 -7.102 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.025 -6.090 2.621 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.420 -4.622 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.851 -4.666 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.429 -6.176 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.501 -6.139 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.116 -3.495 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.288 -4.976 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.556 -4.104 1.956 1.00 0.00 H new ATOM 1243 N VAL A 79 0.656 -7.537 5.618 1.00 0.00 N ATOM 1244 CA VAL A 79 1.639 -8.489 6.128 1.00 0.00 C ATOM 1245 C VAL A 79 1.115 -9.303 7.282 1.00 0.00 C ATOM 1246 O VAL A 79 1.773 -10.215 7.788 1.00 0.00 O ATOM 1247 CB VAL A 79 3.066 -7.976 6.320 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.724 -7.874 4.959 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.077 -6.635 7.011 1.00 0.00 C ATOM 0 H VAL A 79 0.779 -6.560 5.885 1.00 0.00 H new ATOM 0 HA VAL A 79 1.773 -9.177 5.293 1.00 0.00 H new ATOM 0 HB VAL A 79 3.617 -8.671 6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.745 -7.509 5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.741 -8.857 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.160 -7.182 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.106 -6.297 7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.526 -5.911 6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.607 -6.726 7.990 1.00 0.00 H new ATOM 1259 N SER A 80 -0.103 -8.995 7.649 1.00 0.00 N ATOM 1260 CA SER A 80 -0.876 -9.833 8.539 1.00 0.00 C ATOM 1261 C SER A 80 -1.593 -10.933 7.704 1.00 0.00 C ATOM 1262 O SER A 80 -1.983 -11.975 8.231 1.00 0.00 O ATOM 1263 CB SER A 80 -1.866 -9.014 9.364 1.00 0.00 C ATOM 1264 OG SER A 80 -1.183 -8.024 10.133 1.00 0.00 O ATOM 0 H SER A 80 -0.591 -8.154 7.340 1.00 0.00 H new ATOM 0 HA SER A 80 -0.205 -10.310 9.253 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.588 -8.534 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.428 -9.673 10.026 1.00 0.00 H new ATOM 0 HG SER A 80 -1.097 -7.202 9.606 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.741 -10.694 6.366 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.233 -11.711 5.435 1.00 0.00 C ATOM 1272 C GLN A 81 -1.026 -12.586 5.126 1.00 0.00 C ATOM 1273 O GLN A 81 -1.121 -13.684 4.578 1.00 0.00 O ATOM 1274 CB GLN A 81 -2.765 -11.040 4.154 1.00 0.00 C ATOM 1275 CG GLN A 81 -3.419 -11.978 3.157 1.00 0.00 C ATOM 1276 CD GLN A 81 -4.625 -12.708 3.720 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -4.917 -13.828 3.316 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -5.350 -12.088 4.619 1.00 0.00 N ATOM 0 H GLN A 81 -1.522 -9.800 5.926 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.054 -12.293 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.488 -10.275 4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.938 -10.530 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.725 -11.408 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.684 -12.710 2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.082 -11.156 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.182 -12.537 5.001 1.00 0.00 H new ATOM 1287 N ASP A 82 0.116 -12.002 5.443 1.00 0.00 N ATOM 1288 CA ASP A 82 1.426 -12.650 5.504 1.00 0.00 C ATOM 1289 C ASP A 82 2.185 -12.645 4.208 1.00 0.00 C ATOM 1290 O ASP A 82 3.328 -12.193 4.182 1.00 0.00 O ATOM 1291 CB ASP A 82 1.405 -14.042 6.195 1.00 0.00 C ATOM 1292 CG ASP A 82 2.771 -14.679 6.283 1.00 0.00 C ATOM 1293 OD1 ASP A 82 3.508 -14.368 7.236 1.00 0.00 O ATOM 1294 OD2 ASP A 82 3.126 -15.501 5.416 1.00 0.00 O ATOM 0 H ASP A 82 0.163 -11.011 5.678 1.00 0.00 H new ATOM 0 HA ASP A 82 2.006 -12.005 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.994 -13.937 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.736 -14.704 5.645 1.00 0.00 H new ATOM 1299 N ARG A 83 1.568 -13.067 3.117 1.00 0.00 N ATOM 1300 CA ARG A 83 2.271 -13.121 1.872 1.00 0.00 C ATOM 1301 C ARG A 83 2.214 -11.754 1.212 1.00 0.00 C ATOM 1302 O ARG A 83 1.466 -11.547 0.291 1.00 0.00 O ATOM 1303 CB ARG A 83 1.648 -14.191 0.989 1.00 0.00 C ATOM 1304 CG ARG A 83 1.662 -15.573 1.612 1.00 0.00 C ATOM 1305 CD ARG A 83 3.077 -16.050 1.835 1.00 0.00 C ATOM 1306 NE ARG A 83 3.121 -17.317 2.542 1.00 0.00 N ATOM 1307 CZ ARG A 83 4.224 -18.042 2.726 1.00 0.00 C ATOM 1308 NH1 ARG A 83 5.396 -17.609 2.271 1.00 0.00 N ATOM 1309 NH2 ARG A 83 4.154 -19.187 3.385 1.00 0.00 N ATOM 0 H ARG A 83 0.595 -13.371 3.079 1.00 0.00 H new ATOM 0 HA ARG A 83 3.317 -13.382 2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.618 -13.912 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.182 -14.224 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.127 -15.554 2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.136 -16.274 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.580 -16.154 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.627 -15.299 2.403 1.00 0.00 H new ATOM 0 HE ARG A 83 2.247 -17.677 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.454 -16.718 1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.237 -18.168 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.258 -19.512 3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.996 -19.745 3.528 1.00 0.00 H new ATOM 1323 N CYS A 84 3.017 -10.829 1.702 1.00 0.00 N ATOM 1324 CA CYS A 84 2.918 -9.396 1.347 1.00 0.00 C ATOM 1325 C CYS A 84 4.292 -8.693 1.541 1.00 0.00 C ATOM 1326 O CYS A 84 4.402 -7.515 1.887 1.00 0.00 O ATOM 1327 CB CYS A 84 1.824 -8.863 2.265 1.00 0.00 C ATOM 1328 SG CYS A 84 0.154 -9.388 1.770 1.00 0.00 S ATOM 0 H CYS A 84 3.766 -11.035 2.363 1.00 0.00 H new ATOM 0 HA CYS A 84 2.667 -9.216 0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.017 -9.200 3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.867 -7.774 2.276 1.00 0.00 H new ATOM 0 HG CYS A 84 0.242 -10.315 0.863 1.00 0.00 H new ATOM 1334 N ALA A 85 5.278 -9.465 1.193 1.00 0.00 N ATOM 1335 CA ALA A 85 6.699 -9.267 1.260 1.00 0.00 C ATOM 1336 C ALA A 85 7.299 -7.848 1.091 1.00 0.00 C ATOM 1337 O ALA A 85 8.145 -7.469 1.900 1.00 0.00 O ATOM 1338 CB ALA A 85 7.302 -10.221 0.248 1.00 0.00 C ATOM 0 H ALA A 85 5.073 -10.383 0.798 1.00 0.00 H new ATOM 0 HA ALA A 85 6.958 -9.455 2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.387 -10.117 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.035 -11.245 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.919 -9.988 -0.745 1.00 0.00 H new ATOM 1344 N GLU A 86 6.893 -7.050 0.123 1.00 0.00 N ATOM 1345 CA GLU A 86 7.734 -5.883 -0.185 1.00 0.00 C ATOM 1346 C GLU A 86 6.964 -4.683 -0.634 1.00 0.00 C ATOM 1347 O GLU A 86 6.260 -4.735 -1.602 1.00 0.00 O ATOM 1348 CB GLU A 86 8.742 -6.267 -1.266 1.00 0.00 C ATOM 1349 CG GLU A 86 9.591 -5.126 -1.795 1.00 0.00 C ATOM 1350 CD GLU A 86 10.429 -5.562 -2.936 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.524 -6.110 -2.706 1.00 0.00 O ATOM 1352 OE2 GLU A 86 10.006 -5.379 -4.088 1.00 0.00 O ATOM 0 H GLU A 86 6.048 -7.163 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 86 8.230 -5.602 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.404 -7.035 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.202 -6.714 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.946 -4.305 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.229 -4.745 -0.998 1.00 0.00 H new ATOM 1359 N VAL A 87 7.139 -3.602 0.044 1.00 0.00 N ATOM 1360 CA VAL A 87 6.497 -2.373 -0.329 1.00 0.00 C ATOM 1361 C VAL A 87 7.506 -1.309 -0.790 1.00 0.00 C ATOM 1362 O VAL A 87 8.551 -1.117 -0.155 1.00 0.00 O ATOM 1363 CB VAL A 87 5.659 -1.793 0.850 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.460 -2.642 1.126 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.497 -1.668 2.128 1.00 0.00 C ATOM 0 H VAL A 87 7.729 -3.537 0.873 1.00 0.00 H new ATOM 0 HA VAL A 87 5.838 -2.616 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 87 5.332 -0.798 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.894 -2.214 1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.830 -2.682 0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.781 -3.650 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.880 -1.260 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.866 -2.652 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.341 -1.003 1.946 1.00 0.00 H new ATOM 1375 N THR A 88 7.244 -0.679 -1.918 1.00 0.00 N ATOM 1376 CA THR A 88 7.942 0.523 -2.253 1.00 0.00 C ATOM 1377 C THR A 88 6.988 1.655 -2.355 1.00 0.00 C ATOM 1378 O THR A 88 5.987 1.630 -3.090 1.00 0.00 O ATOM 1379 CB THR A 88 8.912 0.487 -3.432 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.342 -0.157 -4.582 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.200 -0.170 -3.030 1.00 0.00 C ATOM 0 H THR A 88 6.556 -0.985 -2.606 1.00 0.00 H new ATOM 0 HA THR A 88 8.626 0.663 -1.416 1.00 0.00 H new ATOM 0 HB THR A 88 9.120 1.518 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.429 -0.448 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.881 -0.188 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.655 0.391 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.001 -1.191 -2.703 1.00 0.00 H new ATOM 1389 N LEU A 89 7.254 2.590 -1.551 1.00 0.00 N ATOM 1390 CA LEU A 89 6.450 3.714 -1.355 1.00 0.00 C ATOM 1391 C LEU A 89 7.100 4.827 -2.068 1.00 0.00 C ATOM 1392 O LEU A 89 8.303 4.775 -2.335 1.00 0.00 O ATOM 1393 CB LEU A 89 6.166 3.935 0.156 1.00 0.00 C ATOM 1394 CG LEU A 89 5.282 2.826 0.831 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.893 1.473 0.759 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.076 3.035 2.237 1.00 0.00 C ATOM 0 H LEU A 89 8.094 2.593 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 89 5.449 3.603 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.117 3.993 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.672 4.899 0.281 1.00 0.00 H new ATOM 0 HG LEU A 89 4.350 2.892 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.235 0.751 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.035 1.193 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.857 1.482 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.457 2.232 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.038 3.041 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.576 3.991 2.393 1.00 0.00 H new ATOM 1408 N GLU A 90 6.352 5.783 -2.392 1.00 0.00 N ATOM 1409 CA GLU A 90 6.732 6.727 -3.383 1.00 0.00 C ATOM 1410 C GLU A 90 7.715 7.749 -2.846 1.00 0.00 C ATOM 1411 O GLU A 90 7.705 8.107 -1.660 1.00 0.00 O ATOM 1412 CB GLU A 90 5.494 7.437 -3.812 1.00 0.00 C ATOM 1413 CG GLU A 90 5.527 7.907 -5.254 1.00 0.00 C ATOM 1414 CD GLU A 90 4.413 8.845 -5.588 1.00 0.00 C ATOM 1415 OE1 GLU A 90 3.313 8.382 -5.931 1.00 0.00 O ATOM 1416 OE2 GLU A 90 4.633 10.083 -5.534 1.00 0.00 O ATOM 0 H GLU A 90 5.435 5.953 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 90 7.217 6.203 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.640 6.774 -3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.336 8.298 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.480 8.400 -5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.476 7.041 -5.914 1.00 0.00 H new ATOM 1423 N GLY A 91 8.578 8.156 -3.723 1.00 0.00 N ATOM 1424 CA GLY A 91 9.601 9.088 -3.425 1.00 0.00 C ATOM 1425 C GLY A 91 10.924 8.531 -4.012 1.00 0.00 C ATOM 1426 O GLY A 91 10.959 7.336 -4.358 1.00 0.00 O ATOM 0 H GLY A 91 8.584 7.836 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.370 10.062 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.689 9.229 -2.348 1.00 0.00 H new ATOM 1430 N GLN A 92 11.996 9.323 -4.172 1.00 0.00 N ATOM 1431 CA GLN A 92 13.203 8.761 -4.677 1.00 0.00 C ATOM 1432 C GLN A 92 14.169 8.704 -3.525 1.00 0.00 C ATOM 1433 O GLN A 92 14.662 9.745 -3.072 1.00 0.00 O ATOM 1434 CB GLN A 92 13.720 9.625 -5.819 1.00 0.00 C ATOM 1435 CG GLN A 92 14.955 9.100 -6.502 1.00 0.00 C ATOM 1436 CD GLN A 92 15.354 9.960 -7.678 1.00 0.00 C ATOM 1437 OE1 GLN A 92 15.100 11.167 -7.697 1.00 0.00 O ATOM 1438 NE2 GLN A 92 15.971 9.367 -8.655 1.00 0.00 N ATOM 0 H GLN A 92 12.029 10.320 -3.959 1.00 0.00 H new ATOM 0 HA GLN A 92 13.058 7.758 -5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.929 9.731 -6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.932 10.622 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.776 9.059 -5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.777 8.080 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.164 8.367 -8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.263 9.902 -9.473 1.00 0.00 H new ATOM 1447 N MET A 93 14.428 7.482 -3.067 1.00 0.00 N ATOM 1448 CA MET A 93 15.171 7.199 -1.837 1.00 0.00 C ATOM 1449 C MET A 93 14.491 7.989 -0.724 1.00 0.00 C ATOM 1450 O MET A 93 14.944 9.060 -0.306 1.00 0.00 O ATOM 1451 CB MET A 93 16.679 7.531 -1.945 1.00 0.00 C ATOM 1452 CG MET A 93 17.571 6.756 -0.960 1.00 0.00 C ATOM 1453 SD MET A 93 17.206 7.040 0.791 1.00 0.00 S ATOM 1454 CE MET A 93 18.337 5.873 1.547 1.00 0.00 C ATOM 0 H MET A 93 14.120 6.639 -3.551 1.00 0.00 H new ATOM 0 HA MET A 93 15.147 6.129 -1.629 1.00 0.00 H new ATOM 0 HB2 MET A 93 17.013 7.322 -2.961 1.00 0.00 H new ATOM 0 HB3 MET A 93 16.817 8.599 -1.778 1.00 0.00 H new ATOM 0 HG2 MET A 93 17.474 5.690 -1.167 1.00 0.00 H new ATOM 0 HG3 MET A 93 18.611 7.024 -1.147 1.00 0.00 H new ATOM 0 HE1 MET A 93 18.238 5.921 2.631 1.00 0.00 H new ATOM 0 HE2 MET A 93 18.102 4.865 1.206 1.00 0.00 H new ATOM 0 HE3 MET A 93 19.360 6.122 1.264 1.00 0.00 H new ATOM 1464 N TYR A 94 13.344 7.515 -0.348 1.00 0.00 N ATOM 1465 CA TYR A 94 12.492 8.218 0.573 1.00 0.00 C ATOM 1466 C TYR A 94 12.628 7.579 1.978 1.00 0.00 C ATOM 1467 O TYR A 94 12.951 6.381 2.088 1.00 0.00 O ATOM 1468 CB TYR A 94 11.010 8.135 0.055 1.00 0.00 C ATOM 1469 CG TYR A 94 10.323 6.825 0.373 1.00 0.00 C ATOM 1470 CD1 TYR A 94 10.765 5.616 -0.166 1.00 0.00 C ATOM 1471 CD2 TYR A 94 9.313 6.786 1.313 1.00 0.00 C ATOM 1472 CE1 TYR A 94 10.199 4.425 0.214 1.00 0.00 C ATOM 1473 CE2 TYR A 94 8.781 5.663 1.721 1.00 0.00 C ATOM 1474 CZ TYR A 94 9.209 4.445 1.180 1.00 0.00 C ATOM 1475 OH TYR A 94 8.667 3.256 1.628 1.00 0.00 O ATOM 0 H TYR A 94 12.966 6.624 -0.671 1.00 0.00 H new ATOM 0 HA TYR A 94 12.781 9.267 0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.436 8.951 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 94 11.004 8.285 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 94 11.564 5.618 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.949 7.715 1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.519 3.494 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.010 5.675 2.477 1.00 0.00 H new ATOM 0 HH TYR A 94 8.171 3.415 2.458 1.00 0.00 H new ATOM 1485 N PRO A 95 12.473 8.352 3.055 1.00 0.00 N ATOM 1486 CA PRO A 95 12.431 7.806 4.399 1.00 0.00 C ATOM 1487 C PRO A 95 11.012 7.342 4.739 1.00 0.00 C ATOM 1488 O PRO A 95 10.029 7.865 4.198 1.00 0.00 O ATOM 1489 CB PRO A 95 12.833 8.995 5.270 1.00 0.00 C ATOM 1490 CG PRO A 95 12.351 10.188 4.521 1.00 0.00 C ATOM 1491 CD PRO A 95 12.379 9.819 3.058 1.00 0.00 C ATOM 0 HA PRO A 95 13.077 6.939 4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 95 12.376 8.936 6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 95 13.912 9.030 5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.343 10.460 4.833 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.988 11.051 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.481 10.161 2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.229 10.273 2.549 1.00 0.00 H new ATOM 1499 N GLY A 96 10.904 6.373 5.594 1.00 0.00 N ATOM 1500 CA GLY A 96 9.617 5.859 5.965 1.00 0.00 C ATOM 1501 C GLY A 96 9.721 4.404 6.325 1.00 0.00 C ATOM 1502 O GLY A 96 9.650 3.541 5.446 1.00 0.00 O ATOM 0 H GLY A 96 11.694 5.918 6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.223 6.423 6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.915 5.988 5.141 1.00 0.00 H new ATOM 1506 N LYS A 97 9.890 4.143 7.615 1.00 0.00 N ATOM 1507 CA LYS A 97 10.124 2.800 8.167 1.00 0.00 C ATOM 1508 C LYS A 97 11.359 2.163 7.541 1.00 0.00 C ATOM 1509 O LYS A 97 11.231 1.282 6.679 1.00 0.00 O ATOM 1510 CB LYS A 97 8.892 1.844 8.077 1.00 0.00 C ATOM 1511 CG LYS A 97 7.693 2.227 8.948 1.00 0.00 C ATOM 1512 CD LYS A 97 6.933 3.422 8.400 1.00 0.00 C ATOM 1513 CE LYS A 97 5.850 3.892 9.352 1.00 0.00 C ATOM 1514 NZ LYS A 97 6.415 4.403 10.616 1.00 0.00 N ATOM 1515 OXT LYS A 97 12.489 2.591 7.885 1.00 0.00 O ATOM 0 H LYS A 97 9.869 4.871 8.329 1.00 0.00 H new ATOM 0 HA LYS A 97 10.298 2.948 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.564 1.799 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.213 0.840 8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.017 1.375 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.038 2.452 9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.629 4.239 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.484 3.158 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.261 4.675 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.170 3.067 9.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 5.693 4.955 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 6.717 3.604 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.234 5.010 10.410 1.00 0.00 H new TER 1529 LYS A 97