USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 528 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 Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -78:sc= -4.36! USER MOD Single : A 17 LYS NZ :NH3+ 139:sc= -0.343 (180deg=-1.32!) USER MOD Single : A 21 ASN : amide:sc= -4.4! C(o=-4.4!,f=-6.6!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.04! C(o=-10!,f=-4!) USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= -2.99! (180deg=-3.2!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 0.933 (180deg=0.542) USER MOD Single : A 35 MET CE :methyl -163:sc= -2.23 (180deg=-3.02!) USER MOD Single : A 37 SER OG : rot -84:sc= 0.651 USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= -0.984 (180deg=-1.19) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.103) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -59:sc= 0.406 USER MOD Single : A 48 GLN : amide:sc= -0.701 K(o=-0.7,f=-2.7!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.045 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -52:sc= 0.163 USER MOD Single : A 67 SER OG : rot 180:sc= -0.453 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -153:sc= -2.16! (180deg=-4.48!) USER MOD ----------------------------------------------------------------- ATOM 104 N CYS A 8 11.204 -0.769 9.344 1.00 0.00 N ATOM 105 CA CYS A 8 10.110 -1.000 8.358 1.00 0.00 C ATOM 106 C CYS A 8 10.086 -2.479 7.951 1.00 0.00 C ATOM 107 O CYS A 8 9.059 -3.126 8.004 1.00 0.00 O ATOM 108 CB CYS A 8 10.336 -0.120 7.124 1.00 0.00 C ATOM 109 SG CYS A 8 11.770 -0.716 6.190 1.00 0.00 S ATOM 0 HA CYS A 8 9.153 -0.740 8.810 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.449 -0.133 6.491 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.495 0.914 7.429 1.00 0.00 H new ATOM 114 N GLU A 9 11.204 -3.016 7.539 1.00 0.00 N ATOM 115 CA GLU A 9 11.227 -4.462 7.118 1.00 0.00 C ATOM 116 C GLU A 9 10.483 -5.313 8.155 1.00 0.00 C ATOM 117 O GLU A 9 9.742 -6.215 7.814 1.00 0.00 O ATOM 118 CB GLU A 9 12.671 -5.004 6.984 1.00 0.00 C ATOM 119 CG GLU A 9 13.345 -4.456 5.713 1.00 0.00 C ATOM 120 CD GLU A 9 14.573 -5.308 5.379 1.00 0.00 C ATOM 121 OE1 GLU A 9 15.125 -5.899 6.293 1.00 0.00 O ATOM 122 OE2 GLU A 9 14.940 -5.355 4.217 1.00 0.00 O ATOM 0 H GLU A 9 12.097 -2.528 7.473 1.00 0.00 H new ATOM 0 HA GLU A 9 10.742 -4.524 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.253 -4.721 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.654 -6.093 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.642 -4.470 4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.640 -3.417 5.864 1.00 0.00 H new ATOM 129 N PHE A 10 10.686 -5.045 9.414 1.00 0.00 N ATOM 130 CA PHE A 10 10.002 -5.849 10.469 1.00 0.00 C ATOM 131 C PHE A 10 8.510 -5.501 10.523 1.00 0.00 C ATOM 132 O PHE A 10 7.697 -6.299 10.945 1.00 0.00 O ATOM 133 CB PHE A 10 10.646 -5.550 11.827 1.00 0.00 C ATOM 134 CG PHE A 10 9.874 -6.250 12.920 1.00 0.00 C ATOM 135 CD1 PHE A 10 10.213 -7.557 13.291 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.817 -5.592 13.561 1.00 0.00 C ATOM 137 CE1 PHE A 10 9.494 -8.206 14.302 1.00 0.00 C ATOM 138 CE2 PHE A 10 8.100 -6.241 14.573 1.00 0.00 C ATOM 139 CZ PHE A 10 8.438 -7.547 14.943 1.00 0.00 C ATOM 0 H PHE A 10 11.296 -4.304 9.760 1.00 0.00 H new ATOM 0 HA PHE A 10 10.106 -6.908 10.233 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.684 -5.884 11.830 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.657 -4.475 12.007 1.00 0.00 H new ATOM 0 HD1 PHE A 10 11.029 -8.064 12.797 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.555 -4.584 13.275 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.754 -9.215 14.587 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.286 -5.733 15.068 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.884 -8.047 15.724 1.00 0.00 H new ATOM 149 N LEU A 11 8.142 -4.317 10.117 1.00 0.00 N ATOM 150 CA LEU A 11 6.700 -3.931 10.168 1.00 0.00 C ATOM 151 C LEU A 11 5.957 -4.492 8.955 1.00 0.00 C ATOM 152 O LEU A 11 4.854 -4.989 9.072 1.00 0.00 O ATOM 153 CB LEU A 11 6.578 -2.405 10.170 1.00 0.00 C ATOM 154 CG LEU A 11 7.119 -1.833 11.487 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.147 -0.303 11.390 1.00 0.00 C ATOM 156 CD2 LEU A 11 6.228 -2.265 12.672 1.00 0.00 C ATOM 0 H LEU A 11 8.772 -3.602 9.754 1.00 0.00 H new ATOM 0 HA LEU A 11 6.260 -4.340 11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.131 -1.987 9.329 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.535 -2.116 10.040 1.00 0.00 H new ATOM 0 HG LEU A 11 8.126 -2.214 11.657 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.530 0.114 12.321 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.793 -0.002 10.565 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.138 0.069 11.214 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.627 -1.850 13.598 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.214 -1.898 12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.214 -3.353 12.739 1.00 0.00 H new ATOM 168 N VAL A 12 6.535 -4.408 7.789 1.00 0.00 N ATOM 169 CA VAL A 12 5.834 -4.926 6.582 1.00 0.00 C ATOM 170 C VAL A 12 5.677 -6.448 6.672 1.00 0.00 C ATOM 171 O VAL A 12 4.777 -7.008 6.090 1.00 0.00 O ATOM 172 CB VAL A 12 6.622 -4.567 5.321 1.00 0.00 C ATOM 173 CG1 VAL A 12 5.757 -4.847 4.090 1.00 0.00 C ATOM 174 CG2 VAL A 12 6.990 -3.081 5.349 1.00 0.00 C ATOM 0 H VAL A 12 7.457 -4.006 7.620 1.00 0.00 H new ATOM 0 HA VAL A 12 4.846 -4.467 6.532 1.00 0.00 H new ATOM 0 HB VAL A 12 7.532 -5.166 5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.314 -4.593 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.490 -5.903 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.850 -4.244 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.551 -2.828 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.080 -2.482 5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.601 -2.874 6.228 1.00 0.00 H new ATOM 184 N LYS A 13 6.544 -7.119 7.388 1.00 0.00 N ATOM 185 CA LYS A 13 6.439 -8.608 7.503 1.00 0.00 C ATOM 186 C LYS A 13 5.372 -8.981 8.545 1.00 0.00 C ATOM 187 O LYS A 13 4.648 -9.946 8.387 1.00 0.00 O ATOM 188 CB LYS A 13 7.799 -9.165 7.927 1.00 0.00 C ATOM 189 CG LYS A 13 7.748 -10.717 8.073 1.00 0.00 C ATOM 190 CD LYS A 13 8.200 -11.147 9.478 1.00 0.00 C ATOM 191 CE LYS A 13 7.078 -10.879 10.485 1.00 0.00 C ATOM 192 NZ LYS A 13 7.475 -11.404 11.822 1.00 0.00 N ATOM 0 H LYS A 13 7.321 -6.700 7.899 1.00 0.00 H new ATOM 0 HA LYS A 13 6.149 -9.032 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.554 -8.890 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.100 -8.717 8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.734 -11.071 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.389 -11.179 7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.458 -12.206 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.098 -10.600 9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.878 -9.809 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.156 -11.357 10.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.713 -11.222 12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.645 -12.428 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.345 -10.929 12.137 1.00 0.00 H new ATOM 206 N GLU A 14 5.262 -8.230 9.606 1.00 0.00 N ATOM 207 CA GLU A 14 4.233 -8.554 10.638 1.00 0.00 C ATOM 208 C GLU A 14 2.850 -8.241 10.064 1.00 0.00 C ATOM 209 O GLU A 14 1.995 -9.098 9.941 1.00 0.00 O ATOM 210 CB GLU A 14 4.475 -7.705 11.888 1.00 0.00 C ATOM 211 CG GLU A 14 3.514 -8.142 12.997 1.00 0.00 C ATOM 212 CD GLU A 14 3.825 -7.366 14.278 1.00 0.00 C ATOM 213 OE1 GLU A 14 4.957 -6.935 14.426 1.00 0.00 O ATOM 214 OE2 GLU A 14 2.927 -7.215 15.089 1.00 0.00 O ATOM 0 H GLU A 14 5.836 -7.410 9.804 1.00 0.00 H new ATOM 0 HA GLU A 14 4.294 -9.608 10.908 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.507 -7.816 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.326 -6.650 11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.483 -7.962 12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.611 -9.213 13.175 1.00 0.00 H new ATOM 221 N VAL A 15 2.631 -7.015 9.687 1.00 0.00 N ATOM 222 CA VAL A 15 1.318 -6.635 9.094 1.00 0.00 C ATOM 223 C VAL A 15 0.926 -7.700 8.075 1.00 0.00 C ATOM 224 O VAL A 15 -0.204 -8.115 8.019 1.00 0.00 O ATOM 225 CB VAL A 15 1.431 -5.261 8.426 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.310 -5.358 7.179 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.037 -4.773 8.032 1.00 0.00 C ATOM 0 H VAL A 15 3.307 -6.255 9.764 1.00 0.00 H new ATOM 0 HA VAL A 15 0.553 -6.573 9.868 1.00 0.00 H new ATOM 0 HB VAL A 15 1.882 -4.557 9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.385 -4.377 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.305 -5.703 7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.867 -6.063 6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.115 -3.795 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.413 -5.481 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.586 -4.695 8.923 1.00 0.00 H new ATOM 237 N THR A 16 1.871 -8.176 7.306 1.00 0.00 N ATOM 238 CA THR A 16 1.556 -9.248 6.326 1.00 0.00 C ATOM 239 C THR A 16 0.825 -10.375 7.062 1.00 0.00 C ATOM 240 O THR A 16 -0.195 -10.863 6.618 1.00 0.00 O ATOM 241 CB THR A 16 2.870 -9.770 5.712 1.00 0.00 C ATOM 242 OG1 THR A 16 3.943 -9.107 6.332 1.00 0.00 O ATOM 243 CG2 THR A 16 2.898 -9.481 4.211 1.00 0.00 C ATOM 0 H THR A 16 2.843 -7.867 7.317 1.00 0.00 H new ATOM 0 HA THR A 16 0.922 -8.867 5.525 1.00 0.00 H new ATOM 0 HB THR A 16 2.946 -10.846 5.865 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.035 -8.208 5.953 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.830 -9.853 3.786 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.056 -9.977 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.828 -8.406 4.046 1.00 0.00 H new ATOM 251 N LYS A 17 1.344 -10.786 8.192 1.00 0.00 N ATOM 252 CA LYS A 17 0.685 -11.876 8.969 1.00 0.00 C ATOM 253 C LYS A 17 -0.817 -11.602 9.044 1.00 0.00 C ATOM 254 O LYS A 17 -1.628 -12.500 8.938 1.00 0.00 O ATOM 255 CB LYS A 17 1.270 -11.932 10.384 1.00 0.00 C ATOM 256 CG LYS A 17 2.738 -12.365 10.312 1.00 0.00 C ATOM 257 CD LYS A 17 3.384 -12.289 11.707 1.00 0.00 C ATOM 258 CE LYS A 17 3.036 -13.542 12.519 1.00 0.00 C ATOM 259 NZ LYS A 17 3.476 -14.759 11.779 1.00 0.00 N ATOM 0 H LYS A 17 2.197 -10.412 8.609 1.00 0.00 H new ATOM 0 HA LYS A 17 0.859 -12.832 8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.191 -10.955 10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.702 -12.633 10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.806 -13.382 9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.280 -11.724 9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.466 -12.198 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.034 -11.399 12.230 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.522 -13.502 13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.962 -13.583 12.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.894 -15.439 12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.657 -15.195 11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.184 -14.494 11.065 1.00 0.00 H new ATOM 273 N LEU A 18 -1.195 -10.363 9.223 1.00 0.00 N ATOM 274 CA LEU A 18 -2.654 -10.027 9.300 1.00 0.00 C ATOM 275 C LEU A 18 -3.178 -9.709 7.882 1.00 0.00 C ATOM 276 O LEU A 18 -4.281 -10.069 7.521 1.00 0.00 O ATOM 277 CB LEU A 18 -2.824 -8.844 10.295 1.00 0.00 C ATOM 278 CG LEU A 18 -3.178 -7.522 9.586 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.638 -7.565 9.070 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.995 -6.370 10.584 1.00 0.00 C ATOM 0 H LEU A 18 -0.561 -9.570 9.319 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.245 -10.864 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.606 -9.088 11.014 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.901 -8.714 10.860 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.523 -7.373 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.875 -6.625 8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.751 -8.389 8.365 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.317 -7.711 9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.241 -5.426 10.099 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.654 -6.521 11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.960 -6.344 10.924 1.00 0.00 H new ATOM 292 N ILE A 19 -2.390 -9.042 7.089 1.00 0.00 N ATOM 293 CA ILE A 19 -2.799 -8.689 5.701 1.00 0.00 C ATOM 294 C ILE A 19 -2.837 -9.971 4.857 1.00 0.00 C ATOM 295 O ILE A 19 -3.371 -9.990 3.766 1.00 0.00 O ATOM 296 CB ILE A 19 -1.737 -7.689 5.163 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.303 -6.264 5.067 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.193 -8.085 3.784 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.155 -5.243 4.955 1.00 0.00 C ATOM 0 H ILE A 19 -1.458 -8.719 7.350 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.789 -8.234 5.663 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.920 -7.720 5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.958 -6.183 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.909 -6.046 5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.456 -7.351 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.724 -9.067 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.012 -8.119 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.568 -4.237 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.517 -5.315 5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.566 -5.454 4.062 1.00 0.00 H new ATOM 311 N ASP A 20 -2.248 -11.030 5.351 1.00 0.00 N ATOM 312 CA ASP A 20 -2.212 -12.312 4.584 1.00 0.00 C ATOM 313 C ASP A 20 -3.561 -12.559 3.888 1.00 0.00 C ATOM 314 O ASP A 20 -3.610 -12.910 2.726 1.00 0.00 O ATOM 315 CB ASP A 20 -1.917 -13.473 5.542 1.00 0.00 C ATOM 316 CG ASP A 20 -0.431 -13.477 5.917 1.00 0.00 C ATOM 317 OD1 ASP A 20 0.323 -12.748 5.296 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.075 -14.216 6.820 1.00 0.00 O ATOM 0 H ASP A 20 -1.787 -11.062 6.260 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.430 -12.246 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.527 -13.378 6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.185 -14.420 5.073 1.00 0.00 H new ATOM 323 N ASN A 21 -4.657 -12.381 4.585 1.00 0.00 N ATOM 324 CA ASN A 21 -5.987 -12.612 3.944 1.00 0.00 C ATOM 325 C ASN A 21 -7.086 -11.870 4.704 1.00 0.00 C ATOM 326 O ASN A 21 -8.224 -12.295 4.731 1.00 0.00 O ATOM 327 CB ASN A 21 -6.311 -14.104 3.948 1.00 0.00 C ATOM 328 CG ASN A 21 -5.364 -14.839 2.998 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.231 -15.112 3.341 1.00 0.00 O ATOM 330 ND2 ASN A 21 -5.784 -15.174 1.808 1.00 0.00 N ATOM 0 H ASN A 21 -4.688 -12.088 5.562 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.942 -12.240 2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.213 -14.505 4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.345 -14.262 3.641 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.161 -15.665 1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.735 -14.945 1.520 1.00 0.00 H new ATOM 337 N ASN A 22 -6.758 -10.766 5.316 1.00 0.00 N ATOM 338 CA ASN A 22 -7.778 -9.980 6.076 1.00 0.00 C ATOM 339 C ASN A 22 -8.063 -8.694 5.307 1.00 0.00 C ATOM 340 O ASN A 22 -9.197 -8.323 5.078 1.00 0.00 O ATOM 341 CB ASN A 22 -7.216 -9.642 7.457 1.00 0.00 C ATOM 342 CG ASN A 22 -6.738 -10.928 8.141 1.00 0.00 C ATOM 343 OD1 ASN A 22 -5.997 -11.778 7.478 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -7.042 -11.161 9.294 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.819 -10.369 5.324 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.697 -10.554 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.389 -8.938 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.980 -9.157 8.064 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.620 -10.500 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.719 -12.018 9.743 1.00 0.00 H new ATOM 351 N LYS A 23 -7.029 -8.024 4.898 1.00 0.00 N ATOM 352 CA LYS A 23 -7.180 -6.773 4.132 1.00 0.00 C ATOM 353 C LYS A 23 -7.799 -7.110 2.763 1.00 0.00 C ATOM 354 O LYS A 23 -7.190 -6.934 1.727 1.00 0.00 O ATOM 355 CB LYS A 23 -5.765 -6.162 3.987 1.00 0.00 C ATOM 356 CG LYS A 23 -5.798 -4.641 4.168 1.00 0.00 C ATOM 357 CD LYS A 23 -6.548 -3.995 3.000 1.00 0.00 C ATOM 358 CE LYS A 23 -5.699 -3.984 1.697 1.00 0.00 C ATOM 359 NZ LYS A 23 -4.301 -4.441 1.958 1.00 0.00 N ATOM 0 H LYS A 23 -6.063 -8.302 5.069 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.835 -6.056 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.097 -6.605 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.360 -6.405 3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.286 -4.388 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.782 -4.250 4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.477 -4.536 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.820 -2.973 3.264 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.163 -4.631 0.952 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.683 -2.977 1.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.732 -4.327 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.887 -3.872 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.310 -5.443 2.237 1.00 0.00 H new ATOM 373 N THR A 24 -9.009 -7.604 2.760 1.00 0.00 N ATOM 374 CA THR A 24 -9.665 -7.965 1.471 1.00 0.00 C ATOM 375 C THR A 24 -9.801 -6.724 0.587 1.00 0.00 C ATOM 376 O THR A 24 -9.493 -5.622 0.997 1.00 0.00 O ATOM 377 CB THR A 24 -11.049 -8.553 1.752 1.00 0.00 C ATOM 378 OG1 THR A 24 -11.776 -7.669 2.595 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.888 -9.907 2.444 1.00 0.00 C ATOM 0 H THR A 24 -9.570 -7.773 3.595 1.00 0.00 H new ATOM 0 HA THR A 24 -9.054 -8.703 0.952 1.00 0.00 H new ATOM 0 HB THR A 24 -11.591 -8.684 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.664 -8.044 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.871 -10.331 2.647 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.328 -10.582 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.349 -9.774 3.382 1.00 0.00 H new ATOM 387 N GLU A 25 -10.241 -6.901 -0.635 1.00 0.00 N ATOM 388 CA GLU A 25 -10.382 -5.739 -1.572 1.00 0.00 C ATOM 389 C GLU A 25 -11.845 -5.312 -1.697 1.00 0.00 C ATOM 390 O GLU A 25 -12.152 -4.319 -2.326 1.00 0.00 O ATOM 391 CB GLU A 25 -9.870 -6.138 -2.957 1.00 0.00 C ATOM 392 CG GLU A 25 -8.499 -6.810 -2.829 1.00 0.00 C ATOM 393 CD GLU A 25 -8.676 -8.249 -2.338 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.410 -8.986 -2.977 1.00 0.00 O ATOM 395 OE2 GLU A 25 -8.075 -8.589 -1.332 1.00 0.00 O ATOM 0 H GLU A 25 -10.510 -7.804 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.801 -4.907 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.576 -6.818 -3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.796 -5.257 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.989 -6.804 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.873 -6.252 -2.133 1.00 0.00 H new ATOM 402 N LYS A 26 -12.752 -6.032 -1.104 1.00 0.00 N ATOM 403 CA LYS A 26 -14.179 -5.630 -1.199 1.00 0.00 C ATOM 404 C LYS A 26 -14.399 -4.492 -0.218 1.00 0.00 C ATOM 405 O LYS A 26 -15.107 -3.539 -0.484 1.00 0.00 O ATOM 406 CB LYS A 26 -15.073 -6.818 -0.830 1.00 0.00 C ATOM 407 CG LYS A 26 -14.964 -7.909 -1.910 1.00 0.00 C ATOM 408 CD LYS A 26 -15.368 -9.278 -1.328 1.00 0.00 C ATOM 409 CE LYS A 26 -14.161 -9.944 -0.654 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.550 -11.299 -0.172 1.00 0.00 N ATOM 0 H LYS A 26 -12.569 -6.876 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.426 -5.314 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.776 -7.221 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.108 -6.490 -0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.607 -7.661 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.943 -7.954 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.173 -9.150 -0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.751 -9.920 -2.121 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.333 -10.020 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.814 -9.335 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.733 -11.752 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.327 -11.214 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.861 -11.878 -0.978 1.00 0.00 H new ATOM 424 N GLU A 27 -13.770 -4.586 0.916 1.00 0.00 N ATOM 425 CA GLU A 27 -13.905 -3.523 1.934 1.00 0.00 C ATOM 426 C GLU A 27 -13.136 -2.285 1.469 1.00 0.00 C ATOM 427 O GLU A 27 -13.411 -1.176 1.882 1.00 0.00 O ATOM 428 CB GLU A 27 -13.323 -4.029 3.257 1.00 0.00 C ATOM 429 CG GLU A 27 -13.638 -3.037 4.378 1.00 0.00 C ATOM 430 CD GLU A 27 -15.142 -3.032 4.651 1.00 0.00 C ATOM 431 OE1 GLU A 27 -15.688 -4.100 4.877 1.00 0.00 O ATOM 432 OE2 GLU A 27 -15.726 -1.960 4.628 1.00 0.00 O ATOM 0 H GLU A 27 -13.163 -5.362 1.180 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.955 -3.264 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.740 -5.007 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.244 -4.156 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.095 -3.311 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.306 -2.038 4.097 1.00 0.00 H new ATOM 439 N ILE A 28 -12.161 -2.472 0.621 1.00 0.00 N ATOM 440 CA ILE A 28 -11.355 -1.330 0.132 1.00 0.00 C ATOM 441 C ILE A 28 -12.080 -0.593 -0.989 1.00 0.00 C ATOM 442 O ILE A 28 -12.557 0.510 -0.809 1.00 0.00 O ATOM 443 CB ILE A 28 -10.035 -1.871 -0.412 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.283 -2.628 0.696 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.185 -0.720 -0.947 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.648 -1.663 1.709 1.00 0.00 C ATOM 0 H ILE A 28 -11.890 -3.381 0.245 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.187 -0.635 0.955 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.238 -2.563 -1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.971 -3.297 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.507 -3.251 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.244 -1.112 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.723 -0.212 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.980 -0.014 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.125 -2.234 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.940 -1.011 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.427 -1.059 2.173 1.00 0.00 H new ATOM 458 N LEU A 29 -12.145 -1.184 -2.154 1.00 0.00 N ATOM 459 CA LEU A 29 -12.818 -0.511 -3.300 1.00 0.00 C ATOM 460 C LEU A 29 -14.128 0.118 -2.830 1.00 0.00 C ATOM 461 O LEU A 29 -14.559 1.135 -3.337 1.00 0.00 O ATOM 462 CB LEU A 29 -13.094 -1.531 -4.406 1.00 0.00 C ATOM 463 CG LEU A 29 -11.774 -2.181 -4.845 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.076 -3.437 -5.663 1.00 0.00 C ATOM 465 CD2 LEU A 29 -10.948 -1.198 -5.694 1.00 0.00 C ATOM 0 H LEU A 29 -11.760 -2.106 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.169 0.272 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.786 -2.294 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.571 -1.042 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.198 -2.447 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.141 -3.901 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.644 -4.140 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.659 -3.166 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.015 -1.674 -5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.516 -0.916 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.726 -0.307 -5.106 1.00 0.00 H new ATOM 477 N ASP A 30 -14.748 -0.458 -1.840 1.00 0.00 N ATOM 478 CA ASP A 30 -16.005 0.143 -1.326 1.00 0.00 C ATOM 479 C ASP A 30 -15.639 1.457 -0.641 1.00 0.00 C ATOM 480 O ASP A 30 -16.175 2.511 -0.946 1.00 0.00 O ATOM 481 CB ASP A 30 -16.656 -0.806 -0.316 1.00 0.00 C ATOM 482 CG ASP A 30 -17.995 -0.224 0.141 1.00 0.00 C ATOM 483 OD1 ASP A 30 -18.552 0.576 -0.593 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.439 -0.588 1.217 1.00 0.00 O ATOM 0 H ASP A 30 -14.442 -1.310 -1.370 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.710 0.317 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.809 -1.786 -0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.998 -0.949 0.541 1.00 0.00 H new ATOM 489 N ALA A 31 -14.708 1.402 0.278 1.00 0.00 N ATOM 490 CA ALA A 31 -14.273 2.638 0.987 1.00 0.00 C ATOM 491 C ALA A 31 -14.095 3.762 -0.027 1.00 0.00 C ATOM 492 O ALA A 31 -14.557 4.866 0.174 1.00 0.00 O ATOM 493 CB ALA A 31 -12.947 2.380 1.693 1.00 0.00 C ATOM 0 H ALA A 31 -14.230 0.549 0.567 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.026 2.921 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.629 3.284 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.070 1.572 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.192 2.099 0.958 1.00 0.00 H new ATOM 499 N PHE A 32 -13.439 3.493 -1.127 1.00 0.00 N ATOM 500 CA PHE A 32 -13.263 4.560 -2.148 1.00 0.00 C ATOM 501 C PHE A 32 -14.656 5.101 -2.491 1.00 0.00 C ATOM 502 O PHE A 32 -14.851 6.286 -2.657 1.00 0.00 O ATOM 503 CB PHE A 32 -12.595 3.979 -3.412 1.00 0.00 C ATOM 504 CG PHE A 32 -11.097 3.852 -3.207 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.565 2.724 -2.565 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.239 4.862 -3.661 1.00 0.00 C ATOM 507 CE1 PHE A 32 -9.179 2.611 -2.380 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.856 4.747 -3.474 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.328 3.623 -2.834 1.00 0.00 C ATOM 0 H PHE A 32 -13.023 2.591 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.625 5.356 -1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.021 3.002 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.798 4.623 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.222 1.943 -2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.645 5.731 -4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.769 1.742 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.197 5.528 -3.825 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.261 3.536 -2.690 1.00 0.00 H new ATOM 519 N ASP A 33 -15.642 4.243 -2.561 1.00 0.00 N ATOM 520 CA ASP A 33 -17.012 4.735 -2.854 1.00 0.00 C ATOM 521 C ASP A 33 -17.438 5.644 -1.705 1.00 0.00 C ATOM 522 O ASP A 33 -18.471 6.281 -1.750 1.00 0.00 O ATOM 523 CB ASP A 33 -17.979 3.553 -2.969 1.00 0.00 C ATOM 524 CG ASP A 33 -17.351 2.459 -3.834 1.00 0.00 C ATOM 525 OD1 ASP A 33 -16.325 2.725 -4.439 1.00 0.00 O ATOM 526 OD2 ASP A 33 -17.905 1.373 -3.876 1.00 0.00 O ATOM 0 H ASP A 33 -15.555 3.235 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.025 5.282 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.209 3.160 -1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.921 3.882 -3.408 1.00 0.00 H new ATOM 531 N LYS A 34 -16.635 5.690 -0.668 1.00 0.00 N ATOM 532 CA LYS A 34 -16.949 6.548 0.521 1.00 0.00 C ATOM 533 C LYS A 34 -15.906 7.670 0.647 1.00 0.00 C ATOM 534 O LYS A 34 -16.195 8.834 0.452 1.00 0.00 O ATOM 535 CB LYS A 34 -16.892 5.699 1.804 1.00 0.00 C ATOM 536 CG LYS A 34 -17.545 4.329 1.583 1.00 0.00 C ATOM 537 CD LYS A 34 -17.376 3.461 2.861 1.00 0.00 C ATOM 538 CE LYS A 34 -17.288 1.953 2.525 1.00 0.00 C ATOM 539 NZ LYS A 34 -18.605 1.311 2.798 1.00 0.00 N ATOM 0 H LYS A 34 -15.765 5.163 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.945 6.972 0.389 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.855 5.567 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.400 6.222 2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.603 4.452 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.088 3.830 0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.475 3.768 3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.217 3.635 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.014 1.817 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.509 1.480 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.649 0.390 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.718 1.172 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.369 1.922 2.445 1.00 0.00 H new ATOM 553 N MET A 35 -14.699 7.316 1.004 1.00 0.00 N ATOM 554 CA MET A 35 -13.626 8.335 1.186 1.00 0.00 C ATOM 555 C MET A 35 -13.317 9.012 -0.159 1.00 0.00 C ATOM 556 O MET A 35 -13.125 10.211 -0.218 1.00 0.00 O ATOM 557 CB MET A 35 -12.395 7.634 1.821 1.00 0.00 C ATOM 558 CG MET A 35 -11.080 7.954 1.093 1.00 0.00 C ATOM 559 SD MET A 35 -10.993 7.042 -0.465 1.00 0.00 S ATOM 560 CE MET A 35 -10.940 5.376 0.234 1.00 0.00 C ATOM 0 H MET A 35 -14.409 6.354 1.179 1.00 0.00 H new ATOM 0 HA MET A 35 -13.941 9.132 1.860 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.309 7.937 2.864 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.554 6.556 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.013 9.025 0.900 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.232 7.690 1.725 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.585 4.675 -0.522 1.00 0.00 H new ATOM 0 HE2 MET A 35 -10.263 5.361 1.088 1.00 0.00 H new ATOM 0 HE3 MET A 35 -11.939 5.085 0.558 1.00 0.00 H new ATOM 570 N CYS A 36 -13.279 8.278 -1.239 1.00 0.00 N ATOM 571 CA CYS A 36 -12.997 8.925 -2.553 1.00 0.00 C ATOM 572 C CYS A 36 -14.325 9.403 -3.131 1.00 0.00 C ATOM 573 O CYS A 36 -14.434 9.745 -4.292 1.00 0.00 O ATOM 574 CB CYS A 36 -12.318 7.927 -3.498 1.00 0.00 C ATOM 575 SG CYS A 36 -11.899 8.752 -5.056 1.00 0.00 S ATOM 0 H CYS A 36 -13.429 7.270 -1.269 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.321 9.771 -2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -11.417 7.526 -3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.981 7.083 -3.689 1.00 0.00 H new ATOM 580 N SER A 37 -15.335 9.442 -2.300 1.00 0.00 N ATOM 581 CA SER A 37 -16.678 9.908 -2.744 1.00 0.00 C ATOM 582 C SER A 37 -16.753 11.423 -2.552 1.00 0.00 C ATOM 583 O SER A 37 -17.146 12.160 -3.434 1.00 0.00 O ATOM 584 CB SER A 37 -17.753 9.230 -1.886 1.00 0.00 C ATOM 585 OG SER A 37 -18.098 10.076 -0.795 1.00 0.00 O ATOM 0 H SER A 37 -15.282 9.166 -1.319 1.00 0.00 H new ATOM 0 HA SER A 37 -16.840 9.657 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.636 9.021 -2.490 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.386 8.273 -1.515 1.00 0.00 H new ATOM 0 HG SER A 37 -17.458 9.945 -0.064 1.00 0.00 H new ATOM 591 N LYS A 38 -16.368 11.883 -1.393 1.00 0.00 N ATOM 592 CA LYS A 38 -16.400 13.343 -1.110 1.00 0.00 C ATOM 593 C LYS A 38 -15.319 14.042 -1.926 1.00 0.00 C ATOM 594 O LYS A 38 -15.348 15.241 -2.118 1.00 0.00 O ATOM 595 CB LYS A 38 -16.113 13.567 0.380 1.00 0.00 C ATOM 596 CG LYS A 38 -14.651 13.178 0.698 1.00 0.00 C ATOM 597 CD LYS A 38 -14.508 12.806 2.180 1.00 0.00 C ATOM 598 CE LYS A 38 -15.261 11.499 2.478 1.00 0.00 C ATOM 599 NZ LYS A 38 -14.528 10.737 3.527 1.00 0.00 N ATOM 0 H LYS A 38 -16.030 11.304 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.379 13.745 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.285 14.612 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.797 12.971 0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.348 12.337 0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.987 14.008 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.454 12.692 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.900 13.610 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.275 11.718 2.813 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.347 10.901 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.966 9.802 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.535 10.620 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.570 11.257 4.427 1.00 0.00 H new ATOM 613 N LEU A 39 -14.344 13.305 -2.379 1.00 0.00 N ATOM 614 CA LEU A 39 -13.243 13.942 -3.147 1.00 0.00 C ATOM 615 C LEU A 39 -13.853 14.857 -4.239 1.00 0.00 C ATOM 616 O LEU A 39 -14.768 14.438 -4.920 1.00 0.00 O ATOM 617 CB LEU A 39 -12.360 12.843 -3.821 1.00 0.00 C ATOM 618 CG LEU A 39 -10.854 12.972 -3.418 1.00 0.00 C ATOM 619 CD1 LEU A 39 -10.471 11.854 -2.442 1.00 0.00 C ATOM 620 CD2 LEU A 39 -9.971 12.877 -4.669 1.00 0.00 C ATOM 0 H LEU A 39 -14.263 12.296 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.623 14.532 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.728 11.857 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.453 12.917 -4.904 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.702 13.938 -2.936 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.421 11.954 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.088 11.926 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.632 10.886 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.923 12.967 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.132 11.915 -5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.229 13.681 -5.359 1.00 0.00 H new ATOM 632 N PRO A 40 -13.332 16.060 -4.417 1.00 0.00 N ATOM 633 CA PRO A 40 -13.849 16.952 -5.464 1.00 0.00 C ATOM 634 C PRO A 40 -13.935 16.176 -6.786 1.00 0.00 C ATOM 635 O PRO A 40 -13.000 15.508 -7.180 1.00 0.00 O ATOM 636 CB PRO A 40 -12.832 18.113 -5.532 1.00 0.00 C ATOM 637 CG PRO A 40 -11.898 17.977 -4.295 1.00 0.00 C ATOM 638 CD PRO A 40 -12.222 16.625 -3.619 1.00 0.00 C ATOM 0 HA PRO A 40 -14.851 17.331 -5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.256 18.067 -6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.345 19.075 -5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.852 18.014 -4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.058 18.802 -3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.356 15.963 -3.622 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.514 16.763 -2.578 1.00 0.00 H new ATOM 646 N LYS A 41 -15.062 16.250 -7.446 1.00 0.00 N ATOM 647 CA LYS A 41 -15.270 15.512 -8.731 1.00 0.00 C ATOM 648 C LYS A 41 -13.977 15.399 -9.542 1.00 0.00 C ATOM 649 O LYS A 41 -13.566 14.325 -9.934 1.00 0.00 O ATOM 650 CB LYS A 41 -16.310 16.263 -9.555 1.00 0.00 C ATOM 651 CG LYS A 41 -16.674 15.448 -10.795 1.00 0.00 C ATOM 652 CD LYS A 41 -17.936 16.049 -11.455 1.00 0.00 C ATOM 653 CE LYS A 41 -17.834 15.938 -12.979 1.00 0.00 C ATOM 654 NZ LYS A 41 -17.769 14.502 -13.370 1.00 0.00 N ATOM 0 H LYS A 41 -15.864 16.802 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.604 14.501 -8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.201 16.446 -8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.919 17.237 -9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.844 15.451 -11.502 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -16.854 14.409 -10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -18.825 15.526 -11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.046 17.094 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.695 16.415 -13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.947 16.463 -13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -17.887 14.417 -14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.847 14.108 -13.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.527 13.977 -12.890 1.00 0.00 H new ATOM 668 N SER A 42 -13.351 16.500 -9.808 1.00 0.00 N ATOM 669 CA SER A 42 -12.095 16.478 -10.612 1.00 0.00 C ATOM 670 C SER A 42 -11.134 15.413 -10.087 1.00 0.00 C ATOM 671 O SER A 42 -10.782 14.473 -10.772 1.00 0.00 O ATOM 672 CB SER A 42 -11.417 17.842 -10.496 1.00 0.00 C ATOM 673 OG SER A 42 -10.479 17.995 -11.554 1.00 0.00 O ATOM 0 H SER A 42 -13.652 17.426 -9.504 1.00 0.00 H new ATOM 0 HA SER A 42 -12.345 16.251 -11.648 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.163 18.636 -10.539 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.913 17.929 -9.533 1.00 0.00 H new ATOM 0 HG SER A 42 -10.044 18.870 -11.482 1.00 0.00 H new ATOM 679 N LEU A 43 -10.692 15.567 -8.877 1.00 0.00 N ATOM 680 CA LEU A 43 -9.737 14.588 -8.306 1.00 0.00 C ATOM 681 C LEU A 43 -10.484 13.319 -7.891 1.00 0.00 C ATOM 682 O LEU A 43 -9.887 12.377 -7.416 1.00 0.00 O ATOM 683 CB LEU A 43 -9.043 15.215 -7.090 1.00 0.00 C ATOM 684 CG LEU A 43 -8.098 16.347 -7.545 1.00 0.00 C ATOM 685 CD1 LEU A 43 -7.869 17.324 -6.388 1.00 0.00 C ATOM 686 CD2 LEU A 43 -6.744 15.771 -7.984 1.00 0.00 C ATOM 0 H LEU A 43 -10.952 16.333 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.988 14.324 -9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.788 15.609 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.479 14.454 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.559 16.865 -8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.201 18.122 -6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.823 17.752 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.420 16.794 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.089 16.582 -8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.286 15.241 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.894 15.080 -8.813 1.00 0.00 H new ATOM 698 N SER A 44 -11.780 13.274 -8.080 1.00 0.00 N ATOM 699 CA SER A 44 -12.542 12.053 -7.707 1.00 0.00 C ATOM 700 C SER A 44 -12.556 11.144 -8.920 1.00 0.00 C ATOM 701 O SER A 44 -12.603 9.935 -8.813 1.00 0.00 O ATOM 702 CB SER A 44 -13.983 12.422 -7.327 1.00 0.00 C ATOM 703 OG SER A 44 -14.808 12.354 -8.483 1.00 0.00 O ATOM 0 H SER A 44 -12.338 14.031 -8.476 1.00 0.00 H new ATOM 0 HA SER A 44 -12.079 11.561 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.355 11.741 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.013 13.426 -6.903 1.00 0.00 H new ATOM 0 HG SER A 44 -14.467 12.969 -9.165 1.00 0.00 H new ATOM 709 N GLU A 45 -12.500 11.727 -10.088 1.00 0.00 N ATOM 710 CA GLU A 45 -12.496 10.907 -11.316 1.00 0.00 C ATOM 711 C GLU A 45 -11.081 10.365 -11.516 1.00 0.00 C ATOM 712 O GLU A 45 -10.881 9.284 -12.035 1.00 0.00 O ATOM 713 CB GLU A 45 -12.959 11.756 -12.522 1.00 0.00 C ATOM 714 CG GLU A 45 -11.781 12.511 -13.162 1.00 0.00 C ATOM 715 CD GLU A 45 -11.023 11.584 -14.117 1.00 0.00 C ATOM 716 OE1 GLU A 45 -11.578 11.248 -15.151 1.00 0.00 O ATOM 717 OE2 GLU A 45 -9.902 11.225 -13.797 1.00 0.00 O ATOM 0 H GLU A 45 -12.457 12.735 -10.236 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.191 10.072 -11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.426 11.110 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.717 12.469 -12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.148 13.383 -13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.108 12.877 -12.386 1.00 0.00 H new ATOM 724 N GLU A 46 -10.097 11.112 -11.089 1.00 0.00 N ATOM 725 CA GLU A 46 -8.689 10.652 -11.235 1.00 0.00 C ATOM 726 C GLU A 46 -8.342 9.708 -10.079 1.00 0.00 C ATOM 727 O GLU A 46 -7.460 8.882 -10.186 1.00 0.00 O ATOM 728 CB GLU A 46 -7.748 11.861 -11.207 1.00 0.00 C ATOM 729 CG GLU A 46 -7.810 12.594 -12.548 1.00 0.00 C ATOM 730 CD GLU A 46 -6.792 13.735 -12.554 1.00 0.00 C ATOM 731 OE1 GLU A 46 -5.673 13.505 -12.126 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.148 14.818 -12.987 1.00 0.00 O ATOM 0 H GLU A 46 -10.210 12.023 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.574 10.127 -12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.031 12.536 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.727 11.535 -11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.600 11.901 -13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.813 12.987 -12.714 1.00 0.00 H new ATOM 739 N CYS A 47 -9.028 9.823 -8.973 1.00 0.00 N ATOM 740 CA CYS A 47 -8.736 8.932 -7.812 1.00 0.00 C ATOM 741 C CYS A 47 -9.294 7.540 -8.110 1.00 0.00 C ATOM 742 O CYS A 47 -8.754 6.540 -7.683 1.00 0.00 O ATOM 743 CB CYS A 47 -9.389 9.534 -6.548 1.00 0.00 C ATOM 744 SG CYS A 47 -9.973 8.243 -5.410 1.00 0.00 S ATOM 0 H CYS A 47 -9.779 10.497 -8.823 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.662 8.849 -7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.669 10.172 -6.035 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.226 10.168 -6.839 1.00 0.00 H new ATOM 749 N GLN A 48 -10.354 7.466 -8.861 1.00 0.00 N ATOM 750 CA GLN A 48 -10.933 6.146 -9.210 1.00 0.00 C ATOM 751 C GLN A 48 -10.211 5.663 -10.456 1.00 0.00 C ATOM 752 O GLN A 48 -10.229 4.497 -10.797 1.00 0.00 O ATOM 753 CB GLN A 48 -12.431 6.308 -9.494 1.00 0.00 C ATOM 754 CG GLN A 48 -13.207 6.312 -8.174 1.00 0.00 C ATOM 755 CD GLN A 48 -13.293 4.887 -7.623 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.761 3.965 -8.207 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.946 4.668 -6.515 1.00 0.00 N ATOM 0 H GLN A 48 -10.846 8.270 -9.250 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.815 5.430 -8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.610 7.237 -10.036 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.781 5.495 -10.131 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.713 6.962 -7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.208 6.713 -8.331 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.393 5.443 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.010 3.722 -6.139 1.00 0.00 H new ATOM 766 N GLU A 49 -9.559 6.568 -11.131 1.00 0.00 N ATOM 767 CA GLU A 49 -8.818 6.192 -12.347 1.00 0.00 C ATOM 768 C GLU A 49 -7.588 5.378 -11.941 1.00 0.00 C ATOM 769 O GLU A 49 -7.349 4.296 -12.446 1.00 0.00 O ATOM 770 CB GLU A 49 -8.384 7.461 -13.080 1.00 0.00 C ATOM 771 CG GLU A 49 -7.784 7.092 -14.434 1.00 0.00 C ATOM 772 CD GLU A 49 -8.884 6.561 -15.355 1.00 0.00 C ATOM 773 OE1 GLU A 49 -9.514 7.369 -16.019 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.077 5.357 -15.384 1.00 0.00 O ATOM 0 H GLU A 49 -9.513 7.556 -10.884 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.449 5.595 -13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.239 8.123 -13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.652 8.005 -12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.310 7.965 -14.883 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.008 6.338 -14.306 1.00 0.00 H new ATOM 781 N VAL A 50 -6.806 5.883 -11.022 1.00 0.00 N ATOM 782 CA VAL A 50 -5.602 5.123 -10.594 1.00 0.00 C ATOM 783 C VAL A 50 -6.035 3.835 -9.899 1.00 0.00 C ATOM 784 O VAL A 50 -5.474 2.796 -10.139 1.00 0.00 O ATOM 785 CB VAL A 50 -4.753 5.943 -9.629 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.438 5.197 -9.388 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.466 7.324 -10.229 1.00 0.00 C ATOM 0 H VAL A 50 -6.949 6.779 -10.556 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.008 4.896 -11.480 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.285 6.078 -8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.816 5.769 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.649 4.217 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.911 5.073 -10.334 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.859 7.904 -9.534 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.928 7.207 -11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.406 7.844 -10.411 1.00 0.00 H new ATOM 797 N VAL A 51 -7.031 3.892 -9.048 1.00 0.00 N ATOM 798 CA VAL A 51 -7.507 2.651 -8.348 1.00 0.00 C ATOM 799 C VAL A 51 -7.585 1.515 -9.369 1.00 0.00 C ATOM 800 O VAL A 51 -6.976 0.478 -9.201 1.00 0.00 O ATOM 801 CB VAL A 51 -8.894 2.930 -7.744 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.567 1.622 -7.314 1.00 0.00 C ATOM 803 CG2 VAL A 51 -8.747 3.856 -6.525 1.00 0.00 C ATOM 0 H VAL A 51 -7.537 4.744 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.822 2.366 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.514 3.411 -8.500 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.547 1.840 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.684 0.971 -8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.950 1.124 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.730 4.053 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.116 3.376 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.291 4.796 -6.835 1.00 0.00 H new ATOM 813 N ASP A 52 -8.296 1.714 -10.445 1.00 0.00 N ATOM 814 CA ASP A 52 -8.361 0.651 -11.483 1.00 0.00 C ATOM 815 C ASP A 52 -6.925 0.252 -11.831 1.00 0.00 C ATOM 816 O ASP A 52 -6.626 -0.901 -12.068 1.00 0.00 O ATOM 817 CB ASP A 52 -9.065 1.189 -12.731 1.00 0.00 C ATOM 818 CG ASP A 52 -9.229 0.063 -13.753 1.00 0.00 C ATOM 819 OD1 ASP A 52 -9.476 -1.056 -13.336 1.00 0.00 O ATOM 820 OD2 ASP A 52 -9.104 0.339 -14.935 1.00 0.00 O ATOM 0 H ASP A 52 -8.830 2.559 -10.648 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.919 -0.210 -11.115 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.040 1.596 -12.464 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.487 2.005 -13.164 1.00 0.00 H new ATOM 825 N THR A 53 -6.028 1.208 -11.831 1.00 0.00 N ATOM 826 CA THR A 53 -4.599 0.901 -12.127 1.00 0.00 C ATOM 827 C THR A 53 -3.914 0.396 -10.853 1.00 0.00 C ATOM 828 O THR A 53 -2.939 -0.327 -10.906 1.00 0.00 O ATOM 829 CB THR A 53 -3.904 2.141 -12.698 1.00 0.00 C ATOM 830 OG1 THR A 53 -4.557 2.523 -13.901 1.00 0.00 O ATOM 831 CG2 THR A 53 -2.435 1.824 -13.003 1.00 0.00 C ATOM 0 H THR A 53 -6.227 2.190 -11.638 1.00 0.00 H new ATOM 0 HA THR A 53 -4.533 0.116 -12.880 1.00 0.00 H new ATOM 0 HB THR A 53 -3.952 2.950 -11.970 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.120 3.317 -14.273 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.948 2.711 -13.409 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.930 1.520 -12.086 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.381 1.015 -13.732 1.00 0.00 H new ATOM 839 N TYR A 54 -4.432 0.761 -9.705 1.00 0.00 N ATOM 840 CA TYR A 54 -3.846 0.303 -8.408 1.00 0.00 C ATOM 841 C TYR A 54 -4.970 -0.242 -7.536 1.00 0.00 C ATOM 842 O TYR A 54 -5.475 0.435 -6.663 1.00 0.00 O ATOM 843 CB TYR A 54 -3.191 1.466 -7.672 1.00 0.00 C ATOM 844 CG TYR A 54 -1.930 1.875 -8.386 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.026 2.479 -9.629 1.00 0.00 C ATOM 846 CD2 TYR A 54 -0.679 1.681 -7.795 1.00 0.00 C ATOM 847 CE1 TYR A 54 -0.881 2.903 -10.302 1.00 0.00 C ATOM 848 CE2 TYR A 54 0.479 2.094 -8.465 1.00 0.00 C ATOM 849 CZ TYR A 54 0.379 2.709 -9.721 1.00 0.00 C ATOM 850 OH TYR A 54 1.517 3.126 -10.382 1.00 0.00 O ATOM 0 H TYR A 54 -5.248 1.366 -9.612 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.095 -0.461 -8.610 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.880 2.309 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.962 1.177 -6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.996 2.623 -10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.605 1.214 -6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.965 3.379 -11.268 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.448 1.939 -8.015 1.00 0.00 H new ATOM 0 HH TYR A 54 2.306 2.917 -9.839 1.00 0.00 H new ATOM 860 N GLY A 55 -5.375 -1.453 -7.769 1.00 0.00 N ATOM 861 CA GLY A 55 -6.470 -2.054 -6.954 1.00 0.00 C ATOM 862 C GLY A 55 -6.231 -3.556 -6.796 1.00 0.00 C ATOM 863 O GLY A 55 -5.485 -3.991 -5.955 1.00 0.00 O ATOM 0 H GLY A 55 -4.994 -2.061 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.511 -1.578 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.432 -1.878 -7.434 1.00 0.00 H new ATOM 867 N SER A 56 -6.860 -4.368 -7.587 1.00 0.00 N ATOM 868 CA SER A 56 -6.647 -5.833 -7.434 1.00 0.00 C ATOM 869 C SER A 56 -5.145 -6.139 -7.308 1.00 0.00 C ATOM 870 O SER A 56 -4.758 -7.196 -6.849 1.00 0.00 O ATOM 871 CB SER A 56 -7.234 -6.567 -8.637 1.00 0.00 C ATOM 872 OG SER A 56 -8.447 -5.936 -9.025 1.00 0.00 O ATOM 0 H SER A 56 -7.506 -4.090 -8.326 1.00 0.00 H new ATOM 0 HA SER A 56 -7.149 -6.174 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.525 -6.558 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.418 -7.612 -8.386 1.00 0.00 H new ATOM 0 HG SER A 56 -8.826 -6.403 -9.798 1.00 0.00 H new ATOM 878 N SER A 57 -4.294 -5.209 -7.678 1.00 0.00 N ATOM 879 CA SER A 57 -2.823 -5.450 -7.546 1.00 0.00 C ATOM 880 C SER A 57 -2.355 -4.881 -6.212 1.00 0.00 C ATOM 881 O SER A 57 -2.233 -5.601 -5.253 1.00 0.00 O ATOM 882 CB SER A 57 -2.056 -4.767 -8.681 1.00 0.00 C ATOM 883 OG SER A 57 -2.283 -5.472 -9.893 1.00 0.00 O ATOM 0 H SER A 57 -4.554 -4.301 -8.063 1.00 0.00 H new ATOM 0 HA SER A 57 -2.632 -6.522 -7.596 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.381 -3.732 -8.783 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.990 -4.746 -8.454 1.00 0.00 H new ATOM 0 HG SER A 57 -1.794 -5.036 -10.622 1.00 0.00 H new ATOM 889 N ILE A 58 -2.108 -3.588 -6.149 1.00 0.00 N ATOM 890 CA ILE A 58 -1.649 -2.933 -4.874 1.00 0.00 C ATOM 891 C ILE A 58 -2.184 -3.693 -3.664 1.00 0.00 C ATOM 892 O ILE A 58 -1.483 -3.941 -2.703 1.00 0.00 O ATOM 893 CB ILE A 58 -2.193 -1.504 -4.848 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.678 -0.743 -3.611 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.715 -1.539 -4.813 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.530 0.519 -3.388 1.00 0.00 C ATOM 0 H ILE A 58 -2.207 -2.950 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.560 -2.934 -4.834 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.850 -0.990 -5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.724 -1.385 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.632 -0.468 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.102 -0.520 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.088 -2.053 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.046 -2.069 -3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.164 1.055 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.461 1.164 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.570 0.233 -3.229 1.00 0.00 H new ATOM 908 N LEU A 59 -3.427 -4.056 -3.711 1.00 0.00 N ATOM 909 CA LEU A 59 -4.014 -4.798 -2.558 1.00 0.00 C ATOM 910 C LEU A 59 -3.512 -6.255 -2.548 1.00 0.00 C ATOM 911 O LEU A 59 -3.075 -6.754 -1.531 1.00 0.00 O ATOM 912 CB LEU A 59 -5.556 -4.818 -2.621 1.00 0.00 C ATOM 913 CG LEU A 59 -6.118 -3.465 -3.063 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.598 -3.621 -3.404 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.950 -2.425 -1.951 1.00 0.00 C ATOM 0 H LEU A 59 -4.063 -3.876 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.700 -4.281 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.883 -5.593 -3.315 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.958 -5.077 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.571 -3.124 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.002 -2.659 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.711 -4.344 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.139 -3.971 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.355 -1.469 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.484 -2.756 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.892 -2.309 -1.718 1.00 0.00 H new ATOM 927 N SER A 60 -3.610 -6.958 -3.657 1.00 0.00 N ATOM 928 CA SER A 60 -3.180 -8.398 -3.682 1.00 0.00 C ATOM 929 C SER A 60 -1.690 -8.544 -4.031 1.00 0.00 C ATOM 930 O SER A 60 -1.174 -9.641 -4.116 1.00 0.00 O ATOM 931 CB SER A 60 -4.013 -9.148 -4.724 1.00 0.00 C ATOM 932 OG SER A 60 -3.924 -10.545 -4.478 1.00 0.00 O ATOM 0 H SER A 60 -3.968 -6.598 -4.542 1.00 0.00 H new ATOM 0 HA SER A 60 -3.335 -8.815 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.053 -8.824 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.653 -8.920 -5.727 1.00 0.00 H new ATOM 0 HG SER A 60 -2.982 -10.806 -4.411 1.00 0.00 H new ATOM 938 N ILE A 61 -1.001 -7.464 -4.244 1.00 0.00 N ATOM 939 CA ILE A 61 0.449 -7.546 -4.598 1.00 0.00 C ATOM 940 C ILE A 61 1.264 -7.686 -3.309 1.00 0.00 C ATOM 941 O ILE A 61 2.032 -8.610 -3.157 1.00 0.00 O ATOM 942 CB ILE A 61 0.807 -6.275 -5.414 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.957 -6.538 -6.393 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.149 -5.091 -4.513 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.298 -6.630 -5.670 1.00 0.00 C ATOM 0 H ILE A 61 -1.378 -6.518 -4.189 1.00 0.00 H new ATOM 0 HA ILE A 61 0.679 -8.416 -5.213 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.084 -6.017 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.770 -7.465 -6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.996 -5.739 -7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.393 -4.225 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.294 -4.857 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.005 -5.345 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.090 -6.817 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.496 -5.693 -5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.267 -7.446 -4.948 1.00 0.00 H new ATOM 957 N LEU A 62 1.087 -6.793 -2.381 1.00 0.00 N ATOM 958 CA LEU A 62 1.843 -6.875 -1.093 1.00 0.00 C ATOM 959 C LEU A 62 1.700 -8.269 -0.481 1.00 0.00 C ATOM 960 O LEU A 62 2.294 -8.574 0.535 1.00 0.00 O ATOM 961 CB LEU A 62 1.311 -5.816 -0.131 1.00 0.00 C ATOM 962 CG LEU A 62 1.401 -4.447 -0.812 1.00 0.00 C ATOM 963 CD1 LEU A 62 0.768 -3.385 0.090 1.00 0.00 C ATOM 964 CD2 LEU A 62 2.866 -4.085 -1.105 1.00 0.00 C ATOM 0 H LEU A 62 0.448 -6.002 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 62 2.901 -6.693 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.279 -6.036 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.891 -5.818 0.792 1.00 0.00 H new ATOM 0 HG LEU A 62 0.862 -4.487 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.832 -2.411 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.278 -3.634 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.299 -3.352 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.910 -3.109 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.427 -4.052 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.302 -4.836 -1.763 1.00 0.00 H new ATOM 976 N LEU A 63 0.904 -9.107 -1.076 1.00 0.00 N ATOM 977 CA LEU A 63 0.696 -10.465 -0.529 1.00 0.00 C ATOM 978 C LEU A 63 1.810 -11.427 -0.964 1.00 0.00 C ATOM 979 O LEU A 63 2.429 -12.070 -0.139 1.00 0.00 O ATOM 980 CB LEU A 63 -0.625 -10.983 -1.083 1.00 0.00 C ATOM 981 CG LEU A 63 -1.837 -10.262 -0.452 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.198 -10.907 0.890 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.578 -8.761 -0.231 1.00 0.00 C ATOM 0 H LEU A 63 0.383 -8.903 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 63 0.697 -10.413 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.644 -10.846 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.702 -12.054 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.663 -10.363 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.054 -10.389 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.450 -11.956 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.348 -10.835 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.460 -8.301 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.726 -8.633 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.364 -8.284 -1.187 1.00 0.00 H new ATOM 995 N GLU A 64 2.028 -11.583 -2.253 1.00 0.00 N ATOM 996 CA GLU A 64 3.057 -12.572 -2.732 1.00 0.00 C ATOM 997 C GLU A 64 3.994 -11.980 -3.789 1.00 0.00 C ATOM 998 O GLU A 64 5.199 -12.020 -3.648 1.00 0.00 O ATOM 999 CB GLU A 64 2.320 -13.743 -3.367 1.00 0.00 C ATOM 1000 CG GLU A 64 1.486 -14.463 -2.306 1.00 0.00 C ATOM 1001 CD GLU A 64 0.693 -15.595 -2.960 1.00 0.00 C ATOM 1002 OE1 GLU A 64 1.252 -16.271 -3.808 1.00 0.00 O ATOM 1003 OE2 GLU A 64 -0.461 -15.768 -2.602 1.00 0.00 O ATOM 0 H GLU A 64 1.542 -11.072 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 64 3.661 -12.870 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.675 -13.387 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.034 -14.435 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.136 -14.863 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.806 -13.760 -1.824 1.00 0.00 H new ATOM 1010 N GLU A 65 3.448 -11.490 -4.870 1.00 0.00 N ATOM 1011 CA GLU A 65 4.300 -10.947 -5.975 1.00 0.00 C ATOM 1012 C GLU A 65 5.450 -10.122 -5.416 1.00 0.00 C ATOM 1013 O GLU A 65 6.427 -9.857 -6.089 1.00 0.00 O ATOM 1014 CB GLU A 65 3.453 -10.073 -6.900 1.00 0.00 C ATOM 1015 CG GLU A 65 2.135 -10.780 -7.221 1.00 0.00 C ATOM 1016 CD GLU A 65 2.421 -12.184 -7.757 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.607 -13.079 -6.949 1.00 0.00 O ATOM 1018 OE2 GLU A 65 2.452 -12.340 -8.966 1.00 0.00 O ATOM 0 H GLU A 65 2.443 -11.441 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 65 4.711 -11.787 -6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.254 -9.112 -6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.999 -9.867 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.516 -10.841 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.573 -10.206 -7.958 1.00 0.00 H new ATOM 1025 N VAL A 66 5.332 -9.708 -4.200 1.00 0.00 N ATOM 1026 CA VAL A 66 6.403 -8.881 -3.572 1.00 0.00 C ATOM 1027 C VAL A 66 6.571 -9.268 -2.096 1.00 0.00 C ATOM 1028 O VAL A 66 5.613 -9.323 -1.349 1.00 0.00 O ATOM 1029 CB VAL A 66 5.979 -7.415 -3.692 1.00 0.00 C ATOM 1030 CG1 VAL A 66 4.818 -7.129 -2.735 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.162 -6.490 -3.371 1.00 0.00 C ATOM 0 H VAL A 66 4.532 -9.905 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 66 7.358 -9.044 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 66 5.655 -7.226 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.521 -6.084 -2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.973 -7.770 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.133 -7.330 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.846 -5.451 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.506 -6.679 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.975 -6.683 -4.071 1.00 0.00 H new ATOM 1041 N SER A 67 7.780 -9.525 -1.665 1.00 0.00 N ATOM 1042 CA SER A 67 7.990 -9.891 -0.229 1.00 0.00 C ATOM 1043 C SER A 67 7.802 -8.616 0.614 1.00 0.00 C ATOM 1044 O SER A 67 7.857 -7.535 0.073 1.00 0.00 O ATOM 1045 CB SER A 67 9.403 -10.484 -0.032 1.00 0.00 C ATOM 1046 OG SER A 67 9.284 -11.781 0.537 1.00 0.00 O ATOM 0 H SER A 67 8.624 -9.498 -2.238 1.00 0.00 H new ATOM 0 HA SER A 67 7.272 -10.649 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.925 -10.538 -0.987 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.994 -9.840 0.619 1.00 0.00 H new ATOM 0 HG SER A 67 10.176 -12.166 0.664 1.00 0.00 H new ATOM 1052 N PRO A 68 7.572 -8.768 1.906 1.00 0.00 N ATOM 1053 CA PRO A 68 7.357 -7.606 2.801 1.00 0.00 C ATOM 1054 C PRO A 68 8.609 -6.699 2.857 1.00 0.00 C ATOM 1055 O PRO A 68 8.522 -5.489 2.733 1.00 0.00 O ATOM 1056 CB PRO A 68 7.054 -8.231 4.184 1.00 0.00 C ATOM 1057 CG PRO A 68 7.360 -9.752 4.078 1.00 0.00 C ATOM 1058 CD PRO A 68 7.509 -10.085 2.579 1.00 0.00 C ATOM 0 HA PRO A 68 6.548 -6.964 2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.667 -7.768 4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.013 -8.066 4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.273 -9.999 4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.556 -10.338 4.524 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.410 -10.669 2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.666 -10.674 2.218 1.00 0.00 H new ATOM 1066 N GLU A 69 9.767 -7.264 3.064 1.00 0.00 N ATOM 1067 CA GLU A 69 10.999 -6.423 3.150 1.00 0.00 C ATOM 1068 C GLU A 69 11.244 -5.690 1.824 1.00 0.00 C ATOM 1069 O GLU A 69 11.770 -4.592 1.799 1.00 0.00 O ATOM 1070 CB GLU A 69 12.206 -7.306 3.488 1.00 0.00 C ATOM 1071 CG GLU A 69 12.461 -8.306 2.358 1.00 0.00 C ATOM 1072 CD GLU A 69 13.562 -9.280 2.780 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.685 -8.836 2.951 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.263 -10.454 2.927 1.00 0.00 O ATOM 0 H GLU A 69 9.915 -8.267 3.177 1.00 0.00 H new ATOM 0 HA GLU A 69 10.862 -5.681 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.089 -6.685 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.026 -7.839 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.546 -8.852 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.755 -7.779 1.450 1.00 0.00 H new ATOM 1081 N LEU A 70 10.867 -6.274 0.723 1.00 0.00 N ATOM 1082 CA LEU A 70 11.087 -5.595 -0.583 1.00 0.00 C ATOM 1083 C LEU A 70 10.229 -4.325 -0.632 1.00 0.00 C ATOM 1084 O LEU A 70 10.708 -3.257 -0.957 1.00 0.00 O ATOM 1085 CB LEU A 70 10.707 -6.560 -1.715 1.00 0.00 C ATOM 1086 CG LEU A 70 10.571 -5.814 -3.052 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.854 -5.026 -3.340 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.343 -6.830 -4.180 1.00 0.00 C ATOM 0 H LEU A 70 10.418 -7.188 0.670 1.00 0.00 H new ATOM 0 HA LEU A 70 12.133 -5.314 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.465 -7.338 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.767 -7.057 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 70 9.727 -5.126 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.752 -4.499 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.025 -4.305 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.698 -5.713 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.246 -6.304 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.190 -7.515 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.431 -7.394 -3.983 1.00 0.00 H new ATOM 1100 N VAL A 71 8.965 -4.427 -0.307 1.00 0.00 N ATOM 1101 CA VAL A 71 8.081 -3.218 -0.335 1.00 0.00 C ATOM 1102 C VAL A 71 8.815 -2.044 0.306 1.00 0.00 C ATOM 1103 O VAL A 71 8.992 -1.008 -0.298 1.00 0.00 O ATOM 1104 CB VAL A 71 6.784 -3.493 0.446 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.644 -2.637 -0.110 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.427 -4.965 0.311 1.00 0.00 C ATOM 0 H VAL A 71 8.506 -5.293 -0.024 1.00 0.00 H new ATOM 0 HA VAL A 71 7.831 -2.982 -1.369 1.00 0.00 H new ATOM 0 HB VAL A 71 6.934 -3.242 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.731 -2.839 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.902 -1.582 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.487 -2.879 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.509 -5.169 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.281 -5.209 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.235 -5.574 0.716 1.00 0.00 H new ATOM 1116 N CYS A 72 9.255 -2.202 1.525 1.00 0.00 N ATOM 1117 CA CYS A 72 9.988 -1.077 2.183 1.00 0.00 C ATOM 1118 C CYS A 72 11.072 -0.583 1.223 1.00 0.00 C ATOM 1119 O CYS A 72 11.395 0.587 1.181 1.00 0.00 O ATOM 1120 CB CYS A 72 10.628 -1.530 3.501 1.00 0.00 C ATOM 1121 SG CYS A 72 11.423 -0.109 4.294 1.00 0.00 S ATOM 0 H CYS A 72 9.143 -3.045 2.088 1.00 0.00 H new ATOM 0 HA CYS A 72 9.286 -0.276 2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.871 -1.953 4.161 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.361 -2.314 3.313 1.00 0.00 H new ATOM 1126 N SER A 73 11.617 -1.469 0.431 1.00 0.00 N ATOM 1127 CA SER A 73 12.657 -1.046 -0.546 1.00 0.00 C ATOM 1128 C SER A 73 11.968 -0.297 -1.699 1.00 0.00 C ATOM 1129 O SER A 73 12.266 0.850 -1.967 1.00 0.00 O ATOM 1130 CB SER A 73 13.413 -2.284 -1.063 1.00 0.00 C ATOM 1131 OG SER A 73 14.792 -2.152 -0.743 1.00 0.00 O ATOM 0 H SER A 73 11.387 -2.463 0.420 1.00 0.00 H new ATOM 0 HA SER A 73 13.381 -0.383 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.007 -3.189 -0.611 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.284 -2.381 -2.141 1.00 0.00 H new ATOM 0 HG SER A 73 15.280 -2.938 -1.068 1.00 0.00 H new ATOM 1137 N MET A 74 11.041 -0.930 -2.377 1.00 0.00 N ATOM 1138 CA MET A 74 10.338 -0.232 -3.495 1.00 0.00 C ATOM 1139 C MET A 74 9.814 1.111 -2.986 1.00 0.00 C ATOM 1140 O MET A 74 9.965 2.132 -3.626 1.00 0.00 O ATOM 1141 CB MET A 74 9.150 -1.073 -3.984 1.00 0.00 C ATOM 1142 CG MET A 74 9.639 -2.274 -4.802 1.00 0.00 C ATOM 1143 SD MET A 74 8.293 -2.862 -5.866 1.00 0.00 S ATOM 1144 CE MET A 74 7.115 -3.289 -4.557 1.00 0.00 C ATOM 0 H MET A 74 10.744 -1.891 -2.206 1.00 0.00 H new ATOM 0 HA MET A 74 11.036 -0.084 -4.319 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.568 -1.420 -3.131 1.00 0.00 H new ATOM 0 HB3 MET A 74 8.488 -0.457 -4.592 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.499 -1.990 -5.408 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.967 -3.072 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.449 -4.077 -4.909 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.658 -3.638 -3.679 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.528 -2.409 -4.294 1.00 0.00 H new