USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -159:sc= 0.454 USER MOD Single : A 16 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0323 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 25 MET CE :methyl 175:sc= -3.43 (180deg=-3.67) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.294) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.88! K(o=-2.9!,f=-0.51) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.21 K(o=-0.21,f=-3.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0.0694 (180deg=0.0495) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -3.9! C(o=-3.9!,f=-2.5!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -3.017 3.352 -10.391 1.00 0.00 N ATOM 89 CA GLU A 7 -3.668 4.645 -10.212 1.00 0.00 C ATOM 90 C GLU A 7 -3.151 5.346 -8.959 1.00 0.00 C ATOM 91 O GLU A 7 -3.881 5.509 -7.980 1.00 0.00 O ATOM 92 CB GLU A 7 -5.185 4.469 -10.123 1.00 0.00 C ATOM 93 CG GLU A 7 -5.611 3.292 -9.261 1.00 0.00 C ATOM 94 CD GLU A 7 -5.601 1.979 -10.020 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.910 1.990 -11.229 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.283 0.941 -9.403 1.00 0.00 O ATOM 0 HA GLU A 7 -3.432 5.265 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.625 5.381 -9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.587 4.337 -11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.945 3.216 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.613 3.475 -8.872 1.00 0.00 H new ATOM 103 N LEU A 8 -1.889 5.757 -8.996 1.00 0.00 N ATOM 104 CA LEU A 8 -1.273 6.440 -7.864 1.00 0.00 C ATOM 105 C LEU A 8 -1.401 7.954 -8.005 1.00 0.00 C ATOM 106 O LEU A 8 -1.168 8.509 -9.079 1.00 0.00 O ATOM 107 CB LEU A 8 0.202 6.050 -7.748 1.00 0.00 C ATOM 108 CG LEU A 8 0.485 4.645 -7.215 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.813 4.130 -7.747 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.479 4.641 -5.694 1.00 0.00 C ATOM 0 H LEU A 8 -1.272 5.629 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.796 6.133 -6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.660 6.142 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.697 6.770 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.305 3.979 -7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.998 3.129 -7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.780 4.095 -8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.615 4.796 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.682 3.633 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.247 5.321 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.497 4.966 -5.333 1.00 0.00 H new ATOM 122 N VAL A 9 -1.770 8.616 -6.914 1.00 0.00 N ATOM 123 CA VAL A 9 -1.925 10.066 -6.915 1.00 0.00 C ATOM 124 C VAL A 9 -0.892 10.730 -6.012 1.00 0.00 C ATOM 125 O VAL A 9 -0.559 10.211 -4.945 1.00 0.00 O ATOM 126 CB VAL A 9 -3.336 10.479 -6.454 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.368 10.132 -7.516 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.678 9.816 -5.129 1.00 0.00 C ATOM 0 H VAL A 9 -1.967 8.172 -6.017 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.773 10.400 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.350 11.559 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.358 10.431 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.130 10.659 -8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.356 9.057 -7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.678 10.119 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.647 8.733 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.955 10.121 -4.372 1.00 0.00 H new ATOM 138 N LEU A 10 -0.389 11.880 -6.445 1.00 0.00 N ATOM 139 CA LEU A 10 0.607 12.618 -5.675 1.00 0.00 C ATOM 140 C LEU A 10 -0.024 13.817 -4.976 1.00 0.00 C ATOM 141 O LEU A 10 -0.846 14.525 -5.556 1.00 0.00 O ATOM 142 CB LEU A 10 1.743 13.084 -6.587 1.00 0.00 C ATOM 143 CG LEU A 10 2.831 13.930 -5.925 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.933 13.042 -5.369 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.402 14.934 -6.916 1.00 0.00 C ATOM 0 H LEU A 10 -0.654 12.322 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 10 1.011 11.949 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.212 12.204 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.312 13.659 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 10 2.384 14.480 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.698 13.662 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.513 12.363 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.378 12.464 -6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.175 15.528 -6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.834 14.403 -7.764 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.607 15.592 -7.267 1.00 0.00 H new ATOM 157 N ALA A 11 0.369 14.041 -3.726 1.00 0.00 N ATOM 158 CA ALA A 11 -0.154 15.158 -2.949 1.00 0.00 C ATOM 159 C ALA A 11 0.537 16.463 -3.328 1.00 0.00 C ATOM 160 O ALA A 11 1.766 16.551 -3.320 1.00 0.00 O ATOM 161 CB ALA A 11 0.006 14.887 -1.461 1.00 0.00 C ATOM 0 H ALA A 11 1.048 13.463 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.215 15.260 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.389 15.730 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.541 13.982 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.062 14.755 -1.227 1.00 0.00 H new ATOM 167 N LEU A 12 -0.258 17.474 -3.661 1.00 0.00 N ATOM 168 CA LEU A 12 0.278 18.775 -4.044 1.00 0.00 C ATOM 169 C LEU A 12 0.225 19.752 -2.874 1.00 0.00 C ATOM 170 O LEU A 12 0.969 20.732 -2.836 1.00 0.00 O ATOM 171 CB LEU A 12 -0.502 19.341 -5.232 1.00 0.00 C ATOM 172 CG LEU A 12 -0.589 18.443 -6.467 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.432 19.102 -7.547 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.802 18.123 -6.993 1.00 0.00 C ATOM 0 H LEU A 12 -1.276 17.418 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 12 1.320 18.640 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.515 19.568 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.043 20.285 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.070 17.508 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.483 18.449 -8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.438 19.278 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.980 20.052 -7.832 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.720 17.483 -7.872 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.310 19.048 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.373 17.608 -6.221 1.00 0.00 H new ATOM 186 N TYR A 13 -0.659 19.478 -1.921 1.00 0.00 N ATOM 187 CA TYR A 13 -0.810 20.333 -0.750 1.00 0.00 C ATOM 188 C TYR A 13 -0.719 19.516 0.536 1.00 0.00 C ATOM 189 O TYR A 13 -0.824 18.290 0.514 1.00 0.00 O ATOM 190 CB TYR A 13 -2.146 21.075 -0.803 1.00 0.00 C ATOM 191 CG TYR A 13 -2.225 22.102 -1.909 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.333 21.714 -3.239 1.00 0.00 C ATOM 193 CD2 TYR A 13 -2.191 23.462 -1.625 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.404 22.649 -4.253 1.00 0.00 C ATOM 195 CE2 TYR A 13 -2.263 24.404 -2.632 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.369 23.993 -3.945 1.00 0.00 C ATOM 197 OH TYR A 13 -2.440 24.928 -4.951 1.00 0.00 O ATOM 0 H TYR A 13 -1.282 18.670 -1.937 1.00 0.00 H new ATOM 0 HA TYR A 13 0.002 21.060 -0.755 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.950 20.350 -0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.315 21.570 0.153 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.362 20.663 -3.484 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.107 23.788 -0.599 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.486 22.330 -5.281 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.236 25.457 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.404 25.828 -4.564 1.00 0.00 H new ATOM 207 N ASP A 14 -0.525 20.206 1.654 1.00 0.00 N ATOM 208 CA ASP A 14 -0.422 19.547 2.951 1.00 0.00 C ATOM 209 C ASP A 14 -1.793 19.417 3.605 1.00 0.00 C ATOM 210 O ASP A 14 -2.579 20.365 3.618 1.00 0.00 O ATOM 211 CB ASP A 14 0.523 20.324 3.869 1.00 0.00 C ATOM 212 CG ASP A 14 0.031 21.731 4.148 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.209 22.480 3.178 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.114 22.082 5.338 1.00 0.00 O ATOM 0 H ASP A 14 -0.436 21.222 1.689 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.019 18.547 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.633 19.787 4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.511 20.372 3.412 1.00 0.00 H new ATOM 219 N TYR A 15 -2.076 18.237 4.147 1.00 0.00 N ATOM 220 CA TYR A 15 -3.354 17.982 4.800 1.00 0.00 C ATOM 221 C TYR A 15 -3.150 17.307 6.153 1.00 0.00 C ATOM 222 O TYR A 15 -2.069 16.798 6.447 1.00 0.00 O ATOM 223 CB TYR A 15 -4.240 17.109 3.910 1.00 0.00 C ATOM 224 CG TYR A 15 -5.706 17.164 4.275 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.436 18.337 4.125 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.362 16.043 4.767 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.775 18.392 4.458 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.702 16.088 5.101 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.404 17.265 4.945 1.00 0.00 C ATOM 230 OH TYR A 15 -9.739 17.316 5.276 1.00 0.00 O ATOM 0 H TYR A 15 -1.437 17.442 4.147 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.847 18.940 4.964 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.120 17.423 2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.897 16.076 3.972 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.948 19.221 3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.815 15.120 4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.327 19.313 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.197 15.207 5.482 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.951 16.586 5.894 1.00 0.00 H new ATOM 240 N GLN A 16 -4.197 17.307 6.971 1.00 0.00 N ATOM 241 CA GLN A 16 -4.133 16.695 8.293 1.00 0.00 C ATOM 242 C GLN A 16 -5.358 15.822 8.548 1.00 0.00 C ATOM 243 O GLN A 16 -6.485 16.218 8.255 1.00 0.00 O ATOM 244 CB GLN A 16 -4.027 17.772 9.373 1.00 0.00 C ATOM 245 CG GLN A 16 -5.332 18.508 9.630 1.00 0.00 C ATOM 246 CD GLN A 16 -5.806 19.293 8.423 1.00 0.00 C ATOM 247 OE1 GLN A 16 -5.149 20.238 7.985 1.00 0.00 O ATOM 248 NE2 GLN A 16 -6.954 18.906 7.878 1.00 0.00 N ATOM 0 H GLN A 16 -5.099 17.724 6.742 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.245 16.064 8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.691 17.311 10.302 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.264 18.494 9.081 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.100 17.789 9.916 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.202 19.187 10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.466 18.117 8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.323 19.397 7.064 1.00 0.00 H new ATOM 257 N GLU A 17 -5.127 14.633 9.095 1.00 0.00 N ATOM 258 CA GLU A 17 -6.213 13.704 9.388 1.00 0.00 C ATOM 259 C GLU A 17 -7.014 14.169 10.600 1.00 0.00 C ATOM 260 O GLU A 17 -6.458 14.408 11.673 1.00 0.00 O ATOM 261 CB GLU A 17 -5.659 12.300 9.638 1.00 0.00 C ATOM 262 CG GLU A 17 -4.670 12.231 10.790 1.00 0.00 C ATOM 263 CD GLU A 17 -5.333 11.879 12.107 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.580 11.833 12.151 1.00 0.00 O ATOM 265 OE2 GLU A 17 -4.604 11.648 13.095 1.00 0.00 O ATOM 0 H GLU A 17 -4.199 14.290 9.344 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.877 13.677 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.488 11.622 9.841 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.172 11.944 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.905 11.489 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.164 13.191 10.888 1.00 0.00 H new ATOM 272 N LYS A 18 -8.325 14.297 10.422 1.00 0.00 N ATOM 273 CA LYS A 18 -9.205 14.732 11.500 1.00 0.00 C ATOM 274 C LYS A 18 -10.244 13.662 11.820 1.00 0.00 C ATOM 275 O LYS A 18 -10.614 13.470 12.978 1.00 0.00 O ATOM 276 CB LYS A 18 -9.905 16.039 11.118 1.00 0.00 C ATOM 277 CG LYS A 18 -10.479 16.033 9.712 1.00 0.00 C ATOM 278 CD LYS A 18 -11.623 17.023 9.572 1.00 0.00 C ATOM 279 CE LYS A 18 -12.889 16.510 10.242 1.00 0.00 C ATOM 280 NZ LYS A 18 -13.980 17.524 10.215 1.00 0.00 N ATOM 0 H LYS A 18 -8.801 14.105 9.541 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.595 14.899 12.388 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.709 16.232 11.829 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.195 16.861 11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.694 16.279 8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.832 15.031 9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.336 17.977 10.015 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.818 17.208 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.224 15.603 9.739 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.670 16.240 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.825 17.137 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.670 18.381 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.207 17.763 9.229 1.00 0.00 H new ATOM 294 N SER A 19 -10.709 12.968 10.787 1.00 0.00 N ATOM 295 CA SER A 19 -11.707 11.918 10.959 1.00 0.00 C ATOM 296 C SER A 19 -11.045 10.546 11.036 1.00 0.00 C ATOM 297 O SER A 19 -9.902 10.356 10.621 1.00 0.00 O ATOM 298 CB SER A 19 -12.713 11.948 9.806 1.00 0.00 C ATOM 299 OG SER A 19 -12.612 13.156 9.072 1.00 0.00 O ATOM 0 H SER A 19 -10.411 13.113 9.822 1.00 0.00 H new ATOM 0 HA SER A 19 -12.233 12.101 11.896 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.537 11.101 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.724 11.841 10.199 1.00 0.00 H new ATOM 0 HG SER A 19 -13.264 13.150 8.340 1.00 0.00 H new ATOM 305 N PRO A 20 -11.780 9.566 11.582 1.00 0.00 N ATOM 306 CA PRO A 20 -11.286 8.193 11.727 1.00 0.00 C ATOM 307 C PRO A 20 -11.152 7.480 10.385 1.00 0.00 C ATOM 308 O PRO A 20 -10.496 6.443 10.286 1.00 0.00 O ATOM 309 CB PRO A 20 -12.358 7.519 12.586 1.00 0.00 C ATOM 310 CG PRO A 20 -13.598 8.304 12.330 1.00 0.00 C ATOM 311 CD PRO A 20 -13.150 9.721 12.098 1.00 0.00 C ATOM 0 HA PRO A 20 -10.288 8.163 12.165 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.487 6.473 12.309 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.089 7.538 13.642 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.133 7.917 11.463 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.280 8.244 13.178 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.793 10.234 11.383 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -13.169 10.304 13.019 1.00 0.00 H new ATOM 319 N ARG A 21 -11.777 8.043 9.356 1.00 0.00 N ATOM 320 CA ARG A 21 -11.727 7.461 8.021 1.00 0.00 C ATOM 321 C ARG A 21 -10.852 8.299 7.094 1.00 0.00 C ATOM 322 O ARG A 21 -10.458 7.846 6.020 1.00 0.00 O ATOM 323 CB ARG A 21 -13.138 7.344 7.440 1.00 0.00 C ATOM 324 CG ARG A 21 -13.238 6.373 6.275 1.00 0.00 C ATOM 325 CD ARG A 21 -14.640 5.799 6.147 1.00 0.00 C ATOM 326 NE ARG A 21 -14.992 4.954 7.285 1.00 0.00 N ATOM 327 CZ ARG A 21 -14.609 3.688 7.407 1.00 0.00 C ATOM 328 NH1 ARG A 21 -13.866 3.123 6.465 1.00 0.00 N ATOM 329 NH2 ARG A 21 -14.969 2.984 8.473 1.00 0.00 N ATOM 0 H ARG A 21 -12.324 8.902 9.422 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.290 6.466 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.821 7.025 8.228 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.469 8.329 7.111 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.967 6.883 5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.523 5.562 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.359 6.614 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.711 5.217 5.228 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.563 5.358 8.027 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.587 3.661 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.573 2.151 6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.540 3.415 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.674 2.012 8.566 1.00 0.00 H new ATOM 343 N GLU A 22 -10.552 9.523 7.518 1.00 0.00 N ATOM 344 CA GLU A 22 -9.725 10.424 6.725 1.00 0.00 C ATOM 345 C GLU A 22 -8.244 10.100 6.902 1.00 0.00 C ATOM 346 O GLU A 22 -7.798 9.762 7.998 1.00 0.00 O ATOM 347 CB GLU A 22 -9.991 11.878 7.120 1.00 0.00 C ATOM 348 CG GLU A 22 -10.259 12.791 5.935 1.00 0.00 C ATOM 349 CD GLU A 22 -10.780 14.152 6.354 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.026 14.901 7.011 1.00 0.00 O ATOM 351 OE2 GLU A 22 -11.943 14.468 6.026 1.00 0.00 O ATOM 0 H GLU A 22 -10.869 9.913 8.406 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.987 10.287 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.846 11.912 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.133 12.258 7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.339 12.918 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.983 12.317 5.272 1.00 0.00 H new ATOM 358 N VAL A 23 -7.486 10.207 5.815 1.00 0.00 N ATOM 359 CA VAL A 23 -6.056 9.927 5.849 1.00 0.00 C ATOM 360 C VAL A 23 -5.242 11.199 5.642 1.00 0.00 C ATOM 361 O VAL A 23 -5.720 12.167 5.050 1.00 0.00 O ATOM 362 CB VAL A 23 -5.660 8.897 4.775 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.072 7.496 5.201 1.00 0.00 C ATOM 364 CG2 VAL A 23 -6.282 9.259 3.434 1.00 0.00 C ATOM 0 H VAL A 23 -7.839 10.486 4.900 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.838 9.515 6.834 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.576 8.913 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.784 6.782 4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.575 7.239 6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.152 7.462 5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.991 8.520 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.368 9.272 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.933 10.244 3.125 1.00 0.00 H new ATOM 374 N THR A 24 -4.007 11.191 6.134 1.00 0.00 N ATOM 375 CA THR A 24 -3.125 12.344 6.004 1.00 0.00 C ATOM 376 C THR A 24 -2.378 12.318 4.675 1.00 0.00 C ATOM 377 O THR A 24 -2.111 11.251 4.123 1.00 0.00 O ATOM 378 CB THR A 24 -2.101 12.401 7.154 1.00 0.00 C ATOM 379 OG1 THR A 24 -2.771 12.272 8.413 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.321 13.706 7.119 1.00 0.00 C ATOM 0 H THR A 24 -3.595 10.398 6.626 1.00 0.00 H new ATOM 0 HA THR A 24 -3.757 13.231 6.046 1.00 0.00 H new ATOM 0 HB THR A 24 -1.401 11.575 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.113 12.307 9.139 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.604 13.724 7.940 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.789 13.787 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.010 14.545 7.221 1.00 0.00 H new ATOM 388 N MET A 25 -2.044 13.500 4.166 1.00 0.00 N ATOM 389 CA MET A 25 -1.326 13.612 2.902 1.00 0.00 C ATOM 390 C MET A 25 -0.480 14.880 2.868 1.00 0.00 C ATOM 391 O MET A 25 -0.990 15.984 3.062 1.00 0.00 O ATOM 392 CB MET A 25 -2.310 13.608 1.730 1.00 0.00 C ATOM 393 CG MET A 25 -3.439 14.615 1.882 1.00 0.00 C ATOM 394 SD MET A 25 -4.487 14.708 0.418 1.00 0.00 S ATOM 395 CE MET A 25 -4.688 16.481 0.257 1.00 0.00 C ATOM 0 H MET A 25 -2.259 14.393 4.610 1.00 0.00 H new ATOM 0 HA MET A 25 -0.662 12.752 2.812 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.767 13.820 0.809 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.736 12.610 1.627 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.049 14.344 2.744 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.018 15.599 2.086 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.240 16.703 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.239 16.864 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.708 16.956 0.213 1.00 0.00 H new ATOM 405 N LYS A 26 0.815 14.717 2.619 1.00 0.00 N ATOM 406 CA LYS A 26 1.732 15.848 2.558 1.00 0.00 C ATOM 407 C LYS A 26 2.329 15.990 1.161 1.00 0.00 C ATOM 408 O LYS A 26 2.515 15.002 0.451 1.00 0.00 O ATOM 409 CB LYS A 26 2.851 15.680 3.588 1.00 0.00 C ATOM 410 CG LYS A 26 3.986 16.676 3.421 1.00 0.00 C ATOM 411 CD LYS A 26 3.542 18.090 3.759 1.00 0.00 C ATOM 412 CE LYS A 26 4.543 19.122 3.263 1.00 0.00 C ATOM 413 NZ LYS A 26 4.367 20.436 3.941 1.00 0.00 N ATOM 0 H LYS A 26 1.253 13.811 2.456 1.00 0.00 H new ATOM 0 HA LYS A 26 1.169 16.753 2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.431 15.785 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.252 14.669 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.818 16.392 4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.351 16.644 2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.567 18.283 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.422 18.187 4.838 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.556 18.757 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.429 19.251 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.250 20.982 3.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.598 20.964 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.130 20.281 4.942 1.00 0.00 H new ATOM 427 N LYS A 27 2.629 17.225 0.774 1.00 0.00 N ATOM 428 CA LYS A 27 3.208 17.497 -0.537 1.00 0.00 C ATOM 429 C LYS A 27 4.367 16.549 -0.826 1.00 0.00 C ATOM 430 O LYS A 27 5.385 16.568 -0.136 1.00 0.00 O ATOM 431 CB LYS A 27 3.690 18.947 -0.613 1.00 0.00 C ATOM 432 CG LYS A 27 2.565 19.966 -0.550 1.00 0.00 C ATOM 433 CD LYS A 27 2.542 20.689 0.786 1.00 0.00 C ATOM 434 CE LYS A 27 1.993 22.100 0.647 1.00 0.00 C ATOM 435 NZ LYS A 27 3.049 23.129 0.857 1.00 0.00 N ATOM 0 H LYS A 27 2.481 18.054 1.350 1.00 0.00 H new ATOM 0 HA LYS A 27 2.435 17.338 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.384 19.134 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.245 19.088 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.684 20.691 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.610 19.466 -0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.932 20.128 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.551 20.729 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.557 22.224 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.191 22.250 1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.635 24.077 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.448 23.027 1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.803 23.002 0.152 1.00 0.00 H new ATOM 449 N GLY A 28 4.206 15.720 -1.854 1.00 0.00 N ATOM 450 CA GLY A 28 5.247 14.777 -2.217 1.00 0.00 C ATOM 451 C GLY A 28 4.852 13.341 -1.941 1.00 0.00 C ATOM 452 O GLY A 28 5.457 12.410 -2.472 1.00 0.00 O ATOM 0 H GLY A 28 3.373 15.685 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.481 14.889 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.156 15.013 -1.663 1.00 0.00 H new ATOM 456 N ASP A 29 3.834 13.159 -1.106 1.00 0.00 N ATOM 457 CA ASP A 29 3.358 11.825 -0.759 1.00 0.00 C ATOM 458 C ASP A 29 2.618 11.190 -1.931 1.00 0.00 C ATOM 459 O ASP A 29 2.207 11.879 -2.865 1.00 0.00 O ATOM 460 CB ASP A 29 2.442 11.890 0.464 1.00 0.00 C ATOM 461 CG ASP A 29 2.499 10.624 1.297 1.00 0.00 C ATOM 462 OD1 ASP A 29 3.222 9.687 0.903 1.00 0.00 O ATOM 463 OD2 ASP A 29 1.818 10.571 2.343 1.00 0.00 O ATOM 0 H ASP A 29 3.323 13.919 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 29 4.224 11.207 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.726 12.742 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.416 12.061 0.138 1.00 0.00 H new ATOM 468 N ILE A 30 2.453 9.873 -1.877 1.00 0.00 N ATOM 469 CA ILE A 30 1.763 9.145 -2.934 1.00 0.00 C ATOM 470 C ILE A 30 0.802 8.113 -2.354 1.00 0.00 C ATOM 471 O ILE A 30 1.160 7.350 -1.457 1.00 0.00 O ATOM 472 CB ILE A 30 2.758 8.434 -3.870 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.835 9.413 -4.344 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.026 7.828 -5.058 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.907 8.767 -5.193 1.00 0.00 C ATOM 0 H ILE A 30 2.788 9.288 -1.112 1.00 0.00 H new ATOM 0 HA ILE A 30 1.199 9.881 -3.508 1.00 0.00 H new ATOM 0 HB ILE A 30 3.243 7.629 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.362 10.212 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.301 9.876 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.742 7.329 -5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.293 7.104 -4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.518 8.617 -5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.636 9.520 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.406 7.987 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.452 8.328 -6.081 1.00 0.00 H new ATOM 487 N LEU A 31 -0.421 8.094 -2.874 1.00 0.00 N ATOM 488 CA LEU A 31 -1.435 7.154 -2.409 1.00 0.00 C ATOM 489 C LEU A 31 -2.041 6.385 -3.579 1.00 0.00 C ATOM 490 O LEU A 31 -1.856 6.751 -4.740 1.00 0.00 O ATOM 491 CB LEU A 31 -2.535 7.895 -1.647 1.00 0.00 C ATOM 492 CG LEU A 31 -2.074 9.054 -0.762 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.239 9.605 0.045 1.00 0.00 C ATOM 494 CD2 LEU A 31 -0.949 8.606 0.159 1.00 0.00 C ATOM 0 H LEU A 31 -0.734 8.718 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.954 6.441 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.254 8.280 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.065 7.176 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.696 9.849 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.892 10.429 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.014 9.964 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.648 8.818 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.633 9.443 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.301 7.794 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.106 8.260 -0.439 1.00 0.00 H new ATOM 506 N THR A 32 -2.768 5.317 -3.265 1.00 0.00 N ATOM 507 CA THR A 32 -3.402 4.496 -4.289 1.00 0.00 C ATOM 508 C THR A 32 -4.875 4.857 -4.448 1.00 0.00 C ATOM 509 O THR A 32 -5.685 4.614 -3.552 1.00 0.00 O ATOM 510 CB THR A 32 -3.286 2.996 -3.959 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.923 2.662 -3.672 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.788 2.147 -5.117 1.00 0.00 C ATOM 0 H THR A 32 -2.932 5.000 -2.309 1.00 0.00 H new ATOM 0 HA THR A 32 -2.878 4.696 -5.224 1.00 0.00 H new ATOM 0 HB THR A 32 -3.903 2.790 -3.084 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.858 1.707 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.696 1.092 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.834 2.383 -5.315 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.194 2.357 -6.007 1.00 0.00 H new ATOM 520 N LEU A 33 -5.217 5.437 -5.593 1.00 0.00 N ATOM 521 CA LEU A 33 -6.594 5.831 -5.870 1.00 0.00 C ATOM 522 C LEU A 33 -7.516 4.616 -5.880 1.00 0.00 C ATOM 523 O LEU A 33 -7.430 3.765 -6.767 1.00 0.00 O ATOM 524 CB LEU A 33 -6.676 6.559 -7.213 1.00 0.00 C ATOM 525 CG LEU A 33 -7.717 7.675 -7.309 1.00 0.00 C ATOM 526 CD1 LEU A 33 -9.067 7.190 -6.803 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.261 8.898 -6.527 1.00 0.00 C ATOM 0 H LEU A 33 -4.560 5.645 -6.345 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.920 6.505 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.697 6.983 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.888 5.824 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.824 7.957 -8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.795 7.997 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.399 6.344 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.976 6.880 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.014 9.682 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.125 8.630 -5.479 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.317 9.259 -6.934 1.00 0.00 H new ATOM 539 N LEU A 34 -8.399 4.542 -4.891 1.00 0.00 N ATOM 540 CA LEU A 34 -9.340 3.432 -4.786 1.00 0.00 C ATOM 541 C LEU A 34 -10.693 3.807 -5.384 1.00 0.00 C ATOM 542 O LEU A 34 -11.290 3.030 -6.128 1.00 0.00 O ATOM 543 CB LEU A 34 -9.513 3.021 -3.323 1.00 0.00 C ATOM 544 CG LEU A 34 -9.545 1.517 -3.048 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.267 0.857 -3.542 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.746 1.250 -1.564 1.00 0.00 C ATOM 0 H LEU A 34 -8.483 5.238 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.935 2.590 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.699 3.459 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.440 3.458 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.386 1.086 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.308 -0.213 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.166 1.018 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.410 1.292 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.766 0.175 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.926 1.695 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.690 1.689 -1.240 1.00 0.00 H new ATOM 558 N ASN A 35 -11.168 5.004 -5.056 1.00 0.00 N ATOM 559 CA ASN A 35 -12.449 5.483 -5.562 1.00 0.00 C ATOM 560 C ASN A 35 -12.360 6.951 -5.966 1.00 0.00 C ATOM 561 O ASN A 35 -12.037 7.812 -5.147 1.00 0.00 O ATOM 562 CB ASN A 35 -13.540 5.298 -4.506 1.00 0.00 C ATOM 563 CG ASN A 35 -14.838 4.784 -5.098 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.119 3.586 -5.058 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.635 5.690 -5.652 1.00 0.00 N ATOM 0 H ASN A 35 -10.685 5.660 -4.442 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.704 4.897 -6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.190 4.601 -3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.723 6.249 -4.007 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.521 5.404 -6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.361 6.672 -5.662 1.00 0.00 H new ATOM 572 N SER A 36 -12.649 7.230 -7.233 1.00 0.00 N ATOM 573 CA SER A 36 -12.598 8.594 -7.747 1.00 0.00 C ATOM 574 C SER A 36 -13.944 9.001 -8.340 1.00 0.00 C ATOM 575 O SER A 36 -14.020 9.902 -9.176 1.00 0.00 O ATOM 576 CB SER A 36 -11.501 8.722 -8.805 1.00 0.00 C ATOM 577 OG SER A 36 -11.244 7.475 -9.427 1.00 0.00 O ATOM 0 H SER A 36 -12.921 6.530 -7.923 1.00 0.00 H new ATOM 0 HA SER A 36 -12.370 9.262 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.800 9.452 -9.557 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.588 9.096 -8.343 1.00 0.00 H new ATOM 0 HG SER A 36 -10.540 7.584 -10.100 1.00 0.00 H new ATOM 583 N THR A 37 -15.004 8.330 -7.901 1.00 0.00 N ATOM 584 CA THR A 37 -16.347 8.620 -8.388 1.00 0.00 C ATOM 585 C THR A 37 -16.687 10.096 -8.219 1.00 0.00 C ATOM 586 O THR A 37 -17.429 10.668 -9.016 1.00 0.00 O ATOM 587 CB THR A 37 -17.405 7.774 -7.656 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.700 8.015 -8.218 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.424 8.099 -6.170 1.00 0.00 C ATOM 0 H THR A 37 -14.959 7.582 -7.209 1.00 0.00 H new ATOM 0 HA THR A 37 -16.360 8.367 -9.448 1.00 0.00 H new ATOM 0 HB THR A 37 -17.146 6.722 -7.779 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.367 7.472 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.179 7.489 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.446 7.887 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.661 9.154 -6.031 1.00 0.00 H new ATOM 597 N ASN A 38 -16.137 10.709 -7.175 1.00 0.00 N ATOM 598 CA ASN A 38 -16.383 12.120 -6.901 1.00 0.00 C ATOM 599 C ASN A 38 -15.265 12.988 -7.472 1.00 0.00 C ATOM 600 O ASN A 38 -14.225 12.482 -7.893 1.00 0.00 O ATOM 601 CB ASN A 38 -16.506 12.355 -5.394 1.00 0.00 C ATOM 602 CG ASN A 38 -17.617 13.328 -5.049 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.136 14.029 -5.919 1.00 0.00 O ATOM 604 ND2 ASN A 38 -17.988 13.375 -3.775 1.00 0.00 N ATOM 0 H ASN A 38 -15.519 10.251 -6.506 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.320 12.400 -7.383 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.692 11.404 -4.895 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.560 12.737 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.731 14.010 -3.483 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.530 12.776 -3.088 1.00 0.00 H new ATOM 611 N LYS A 39 -15.487 14.298 -7.482 1.00 0.00 N ATOM 612 CA LYS A 39 -14.499 15.238 -7.999 1.00 0.00 C ATOM 613 C LYS A 39 -13.883 16.055 -6.869 1.00 0.00 C ATOM 614 O LYS A 39 -12.771 16.568 -6.996 1.00 0.00 O ATOM 615 CB LYS A 39 -15.142 16.172 -9.026 1.00 0.00 C ATOM 616 CG LYS A 39 -16.337 16.939 -8.487 1.00 0.00 C ATOM 617 CD LYS A 39 -17.637 16.188 -8.728 1.00 0.00 C ATOM 618 CE LYS A 39 -18.645 16.451 -7.620 1.00 0.00 C ATOM 619 NZ LYS A 39 -19.354 17.746 -7.810 1.00 0.00 N ATOM 0 H LYS A 39 -16.343 14.733 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.708 14.666 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.394 16.882 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.456 15.587 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.208 17.111 -7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.387 17.918 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.061 16.489 -9.686 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.435 15.119 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.372 15.640 -7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.134 16.455 -6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.032 17.888 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.663 18.523 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.863 17.733 -8.717 1.00 0.00 H new ATOM 633 N ASP A 40 -14.611 16.172 -5.764 1.00 0.00 N ATOM 634 CA ASP A 40 -14.134 16.925 -4.610 1.00 0.00 C ATOM 635 C ASP A 40 -13.448 16.004 -3.605 1.00 0.00 C ATOM 636 O ASP A 40 -12.303 16.235 -3.218 1.00 0.00 O ATOM 637 CB ASP A 40 -15.295 17.659 -3.938 1.00 0.00 C ATOM 638 CG ASP A 40 -16.075 18.522 -4.910 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.497 18.925 -5.942 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.264 18.793 -4.640 1.00 0.00 O ATOM 0 H ASP A 40 -15.534 15.755 -5.643 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.406 17.657 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.967 16.931 -3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.909 18.283 -3.132 1.00 0.00 H new ATOM 645 N TRP A 41 -14.157 14.962 -3.187 1.00 0.00 N ATOM 646 CA TRP A 41 -13.617 14.007 -2.226 1.00 0.00 C ATOM 647 C TRP A 41 -13.133 12.743 -2.928 1.00 0.00 C ATOM 648 O TRP A 41 -13.934 11.957 -3.434 1.00 0.00 O ATOM 649 CB TRP A 41 -14.675 13.650 -1.181 1.00 0.00 C ATOM 650 CG TRP A 41 -14.977 14.772 -0.234 1.00 0.00 C ATOM 651 CD1 TRP A 41 -16.111 15.532 -0.199 1.00 0.00 C ATOM 652 CD2 TRP A 41 -14.131 15.262 0.812 1.00 0.00 C ATOM 653 NE1 TRP A 41 -16.021 16.465 0.806 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.817 16.319 1.442 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.862 14.909 1.280 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.274 17.025 2.512 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.325 15.611 2.342 1.00 0.00 C ATOM 658 CH2 TRP A 41 -13.030 16.658 2.949 1.00 0.00 C ATOM 0 H TRP A 41 -15.106 14.757 -3.498 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.767 14.473 -1.728 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.593 13.356 -1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.335 12.785 -0.612 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.955 15.417 -0.863 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.735 17.154 1.040 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.311 14.102 0.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.815 17.834 2.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.345 15.348 2.710 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.583 17.186 3.778 1.00 0.00 H new ATOM 669 N TRP A 42 -11.818 12.554 -2.956 1.00 0.00 N ATOM 670 CA TRP A 42 -11.228 11.384 -3.597 1.00 0.00 C ATOM 671 C TRP A 42 -10.827 10.340 -2.561 1.00 0.00 C ATOM 672 O TRP A 42 -10.238 10.668 -1.530 1.00 0.00 O ATOM 673 CB TRP A 42 -10.009 11.792 -4.426 1.00 0.00 C ATOM 674 CG TRP A 42 -10.340 12.107 -5.854 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.580 12.350 -6.373 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.419 12.211 -6.944 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.484 12.598 -7.721 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.169 12.520 -8.096 1.00 0.00 C ATOM 679 CE3 TRP A 42 -8.033 12.075 -7.060 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.578 12.693 -9.344 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.448 12.247 -8.300 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.219 12.554 -9.429 1.00 0.00 C ATOM 0 H TRP A 42 -11.141 13.195 -2.543 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.977 10.945 -4.256 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.542 12.664 -3.968 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.275 10.987 -4.400 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.500 12.348 -5.807 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.266 12.807 -8.342 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.430 11.840 -6.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.171 12.929 -10.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.378 12.143 -8.401 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.732 12.683 -10.384 1.00 0.00 H new ATOM 693 N LYS A 43 -11.149 9.082 -2.840 1.00 0.00 N ATOM 694 CA LYS A 43 -10.821 7.988 -1.933 1.00 0.00 C ATOM 695 C LYS A 43 -9.518 7.311 -2.346 1.00 0.00 C ATOM 696 O LYS A 43 -9.412 6.764 -3.444 1.00 0.00 O ATOM 697 CB LYS A 43 -11.956 6.962 -1.907 1.00 0.00 C ATOM 698 CG LYS A 43 -13.339 7.587 -1.840 1.00 0.00 C ATOM 699 CD LYS A 43 -14.406 6.548 -1.536 1.00 0.00 C ATOM 700 CE LYS A 43 -15.748 6.935 -2.137 1.00 0.00 C ATOM 701 NZ LYS A 43 -16.887 6.387 -1.350 1.00 0.00 N ATOM 0 H LYS A 43 -11.637 8.794 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.693 8.404 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.891 6.338 -2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.821 6.305 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.353 8.360 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.565 8.075 -2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.095 5.580 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.508 6.435 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.826 8.021 -2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.806 6.569 -3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.782 6.742 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.875 5.348 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.800 6.687 -0.358 1.00 0.00 H new ATOM 715 N VAL A 44 -8.529 7.349 -1.459 1.00 0.00 N ATOM 716 CA VAL A 44 -7.234 6.736 -1.731 1.00 0.00 C ATOM 717 C VAL A 44 -6.813 5.814 -0.592 1.00 0.00 C ATOM 718 O VAL A 44 -7.331 5.908 0.520 1.00 0.00 O ATOM 719 CB VAL A 44 -6.143 7.802 -1.945 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.156 8.298 -3.382 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.329 8.956 -0.972 1.00 0.00 C ATOM 0 H VAL A 44 -8.600 7.798 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.345 6.152 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.171 7.347 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.379 9.050 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.971 7.462 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.128 8.737 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.550 9.700 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.306 9.412 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.265 8.584 0.050 1.00 0.00 H new ATOM 731 N GLU A 45 -5.868 4.923 -0.878 1.00 0.00 N ATOM 732 CA GLU A 45 -5.377 3.984 0.124 1.00 0.00 C ATOM 733 C GLU A 45 -3.946 4.321 0.530 1.00 0.00 C ATOM 734 O GLU A 45 -3.109 4.644 -0.313 1.00 0.00 O ATOM 735 CB GLU A 45 -5.443 2.552 -0.413 1.00 0.00 C ATOM 736 CG GLU A 45 -5.501 1.496 0.678 1.00 0.00 C ATOM 737 CD GLU A 45 -5.904 0.133 0.149 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.862 -0.062 -1.083 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.260 -0.739 0.969 1.00 0.00 O ATOM 0 H GLU A 45 -5.428 4.832 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.014 4.065 1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.321 2.452 -1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.571 2.367 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.525 1.421 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.211 1.809 1.444 1.00 0.00 H new ATOM 746 N VAL A 46 -3.671 4.243 1.828 1.00 0.00 N ATOM 747 CA VAL A 46 -2.342 4.539 2.348 1.00 0.00 C ATOM 748 C VAL A 46 -1.745 3.326 3.053 1.00 0.00 C ATOM 749 O VAL A 46 -2.370 2.268 3.129 1.00 0.00 O ATOM 750 CB VAL A 46 -2.374 5.725 3.330 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.977 6.953 2.664 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.147 5.355 4.586 1.00 0.00 C ATOM 0 H VAL A 46 -4.352 3.977 2.539 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.719 4.802 1.493 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.350 5.964 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.992 7.781 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.377 7.228 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.995 6.731 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.160 6.204 5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.170 5.089 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.667 4.506 5.072 1.00 0.00 H new ATOM 762 N LYS A 47 -0.531 3.486 3.568 1.00 0.00 N ATOM 763 CA LYS A 47 0.152 2.405 4.270 1.00 0.00 C ATOM 764 C LYS A 47 0.593 2.852 5.660 1.00 0.00 C ATOM 765 O LYS A 47 1.215 3.903 5.816 1.00 0.00 O ATOM 766 CB LYS A 47 1.366 1.934 3.465 1.00 0.00 C ATOM 767 CG LYS A 47 1.900 0.582 3.906 1.00 0.00 C ATOM 768 CD LYS A 47 2.929 0.043 2.927 1.00 0.00 C ATOM 769 CE LYS A 47 2.294 -0.899 1.915 1.00 0.00 C ATOM 770 NZ LYS A 47 3.184 -1.137 0.745 1.00 0.00 N ATOM 0 H LYS A 47 0.001 4.355 3.513 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.548 1.577 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.094 1.882 2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.160 2.675 3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.350 0.672 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.075 -0.125 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.406 0.873 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.713 -0.482 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.066 -1.850 2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.348 -0.480 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.716 -1.784 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.382 -0.233 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.077 -1.561 1.069 1.00 0.00 H new ATOM 784 N ILE A 48 0.269 2.047 6.666 1.00 0.00 N ATOM 785 CA ILE A 48 0.634 2.359 8.042 1.00 0.00 C ATOM 786 C ILE A 48 1.426 1.219 8.673 1.00 0.00 C ATOM 787 O ILE A 48 1.180 0.045 8.391 1.00 0.00 O ATOM 788 CB ILE A 48 -0.610 2.643 8.904 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.433 3.778 8.293 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.200 2.986 10.329 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.521 3.300 7.357 1.00 0.00 C ATOM 0 H ILE A 48 -0.246 1.174 6.554 1.00 0.00 H new ATOM 0 HA ILE A 48 1.255 3.254 8.008 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.228 1.745 8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.886 4.360 9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.766 4.448 7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.090 3.184 10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.348 2.149 10.761 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.436 3.871 10.322 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.064 4.159 6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.074 2.743 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.211 2.654 7.900 1.00 0.00 H new ATOM 803 N THR A 49 2.380 1.571 9.530 1.00 0.00 N ATOM 804 CA THR A 49 3.209 0.578 10.201 1.00 0.00 C ATOM 805 C THR A 49 2.923 0.545 11.698 1.00 0.00 C ATOM 806 O THR A 49 3.002 1.569 12.378 1.00 0.00 O ATOM 807 CB THR A 49 4.708 0.856 9.982 1.00 0.00 C ATOM 808 OG1 THR A 49 4.996 0.908 8.580 1.00 0.00 O ATOM 809 CG2 THR A 49 5.559 -0.219 10.641 1.00 0.00 C ATOM 0 H THR A 49 2.597 2.537 9.775 1.00 0.00 H new ATOM 0 HA THR A 49 2.960 -0.389 9.764 1.00 0.00 H new ATOM 0 HB THR A 49 4.948 1.817 10.438 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.951 1.087 8.449 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.614 -0.002 10.473 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.358 -0.236 11.712 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.316 -1.190 10.211 1.00 0.00 H new ATOM 817 N VAL A 50 2.591 -0.637 12.207 1.00 0.00 N ATOM 818 CA VAL A 50 2.296 -0.803 13.625 1.00 0.00 C ATOM 819 C VAL A 50 2.911 -2.088 14.168 1.00 0.00 C ATOM 820 O VAL A 50 2.669 -3.174 13.643 1.00 0.00 O ATOM 821 CB VAL A 50 0.777 -0.825 13.883 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.490 -1.027 15.363 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.133 0.457 13.377 1.00 0.00 C ATOM 0 H VAL A 50 2.520 -1.494 11.658 1.00 0.00 H new ATOM 0 HA VAL A 50 2.733 0.052 14.141 1.00 0.00 H new ATOM 0 HB VAL A 50 0.345 -1.663 13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.588 -1.040 15.526 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.918 -1.974 15.691 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.934 -0.212 15.934 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.940 0.425 13.567 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.568 1.312 13.895 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.309 0.554 12.306 1.00 0.00 H new ATOM 833 N ASN A 51 3.708 -1.956 15.224 1.00 0.00 N ATOM 834 CA ASN A 51 4.358 -3.107 15.839 1.00 0.00 C ATOM 835 C ASN A 51 5.224 -3.849 14.824 1.00 0.00 C ATOM 836 O ASN A 51 5.457 -5.050 14.953 1.00 0.00 O ATOM 837 CB ASN A 51 3.312 -4.058 16.425 1.00 0.00 C ATOM 838 CG ASN A 51 3.857 -4.875 17.580 1.00 0.00 C ATOM 839 OD1 ASN A 51 5.035 -4.776 17.925 1.00 0.00 O ATOM 840 ND2 ASN A 51 3.000 -5.690 18.184 1.00 0.00 N ATOM 0 H ASN A 51 3.919 -1.064 15.671 1.00 0.00 H new ATOM 0 HA ASN A 51 4.999 -2.744 16.642 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.451 -3.482 16.765 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.957 -4.730 15.643 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.309 -6.266 18.967 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.033 -5.740 17.865 1.00 0.00 H new ATOM 847 N GLY A 52 5.697 -3.124 13.816 1.00 0.00 N ATOM 848 CA GLY A 52 6.532 -3.729 12.794 1.00 0.00 C ATOM 849 C GLY A 52 5.720 -4.420 11.717 1.00 0.00 C ATOM 850 O GLY A 52 6.273 -5.097 10.849 1.00 0.00 O ATOM 0 H GLY A 52 5.517 -2.128 13.688 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.156 -2.961 12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.203 -4.451 13.258 1.00 0.00 H new ATOM 854 N LYS A 53 4.403 -4.252 11.771 1.00 0.00 N ATOM 855 CA LYS A 53 3.512 -4.865 10.793 1.00 0.00 C ATOM 856 C LYS A 53 2.953 -3.817 9.835 1.00 0.00 C ATOM 857 O LYS A 53 2.780 -2.654 10.202 1.00 0.00 O ATOM 858 CB LYS A 53 2.364 -5.588 11.501 1.00 0.00 C ATOM 859 CG LYS A 53 2.821 -6.486 12.638 1.00 0.00 C ATOM 860 CD LYS A 53 3.660 -7.646 12.130 1.00 0.00 C ATOM 861 CE LYS A 53 4.026 -8.604 13.253 1.00 0.00 C ATOM 862 NZ LYS A 53 5.102 -9.550 12.847 1.00 0.00 N ATOM 0 H LYS A 53 3.929 -3.696 12.482 1.00 0.00 H new ATOM 0 HA LYS A 53 4.088 -5.589 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.665 -4.848 11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.819 -6.188 10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.401 -5.902 13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.951 -6.871 13.171 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.110 -8.183 11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.569 -7.263 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.352 -8.035 14.124 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.142 -9.167 13.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.323 -10.186 13.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.782 -10.111 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.954 -9.015 12.585 1.00 0.00 H new ATOM 876 N THR A 54 2.670 -4.237 8.606 1.00 0.00 N ATOM 877 CA THR A 54 2.130 -3.336 7.596 1.00 0.00 C ATOM 878 C THR A 54 0.608 -3.412 7.549 1.00 0.00 C ATOM 879 O THR A 54 0.031 -4.499 7.566 1.00 0.00 O ATOM 880 CB THR A 54 2.693 -3.656 6.199 1.00 0.00 C ATOM 881 OG1 THR A 54 3.343 -4.931 6.213 1.00 0.00 O ATOM 882 CG2 THR A 54 3.676 -2.584 5.753 1.00 0.00 C ATOM 0 H THR A 54 2.806 -5.196 8.286 1.00 0.00 H new ATOM 0 HA THR A 54 2.432 -2.327 7.878 1.00 0.00 H new ATOM 0 HB THR A 54 1.862 -3.680 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.697 -5.128 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.060 -2.832 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.170 -1.619 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.503 -2.532 6.461 1.00 0.00 H new ATOM 890 N TYR A 55 -0.036 -2.252 7.487 1.00 0.00 N ATOM 891 CA TYR A 55 -1.492 -2.187 7.439 1.00 0.00 C ATOM 892 C TYR A 55 -1.960 -1.315 6.278 1.00 0.00 C ATOM 893 O TYR A 55 -1.271 -0.378 5.875 1.00 0.00 O ATOM 894 CB TYR A 55 -2.043 -1.642 8.757 1.00 0.00 C ATOM 895 CG TYR A 55 -1.916 -2.608 9.913 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.925 -3.520 10.196 1.00 0.00 C ATOM 897 CD2 TYR A 55 -0.786 -2.609 10.722 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.813 -4.404 11.251 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.665 -3.490 11.779 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.681 -4.386 12.040 1.00 0.00 C ATOM 901 OH TYR A 55 -1.566 -5.266 13.091 1.00 0.00 O ATOM 0 H TYR A 55 0.427 -1.343 7.469 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.871 -3.197 7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.519 -0.720 9.006 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.094 -1.385 8.623 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.812 -3.538 9.580 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.011 -1.909 10.521 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.607 -5.106 11.458 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.220 -3.477 12.398 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.709 -5.124 13.545 1.00 0.00 H new ATOM 911 N GLU A 56 -3.137 -1.630 5.747 1.00 0.00 N ATOM 912 CA GLU A 56 -3.698 -0.875 4.633 1.00 0.00 C ATOM 913 C GLU A 56 -5.091 -0.353 4.975 1.00 0.00 C ATOM 914 O GLU A 56 -5.833 -0.982 5.730 1.00 0.00 O ATOM 915 CB GLU A 56 -3.763 -1.748 3.378 1.00 0.00 C ATOM 916 CG GLU A 56 -2.471 -1.763 2.579 1.00 0.00 C ATOM 917 CD GLU A 56 -2.423 -0.672 1.527 1.00 0.00 C ATOM 918 OE1 GLU A 56 -3.256 -0.708 0.597 1.00 0.00 O ATOM 919 OE2 GLU A 56 -1.553 0.217 1.633 1.00 0.00 O ATOM 0 H GLU A 56 -3.720 -2.402 6.070 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.047 -0.022 4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.013 -2.769 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.571 -1.392 2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.627 -1.645 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.358 -2.734 2.096 1.00 0.00 H new ATOM 926 N ARG A 57 -5.437 0.802 4.416 1.00 0.00 N ATOM 927 CA ARG A 57 -6.739 1.410 4.663 1.00 0.00 C ATOM 928 C ARG A 57 -7.009 2.538 3.672 1.00 0.00 C ATOM 929 O ARG A 57 -6.087 3.226 3.235 1.00 0.00 O ATOM 930 CB ARG A 57 -6.812 1.945 6.094 1.00 0.00 C ATOM 931 CG ARG A 57 -5.622 2.806 6.484 1.00 0.00 C ATOM 932 CD ARG A 57 -5.922 3.648 7.714 1.00 0.00 C ATOM 933 NE ARG A 57 -5.588 2.948 8.951 1.00 0.00 N ATOM 934 CZ ARG A 57 -5.900 3.402 10.160 1.00 0.00 C ATOM 935 NH1 ARG A 57 -6.550 4.550 10.293 1.00 0.00 N ATOM 936 NH2 ARG A 57 -5.563 2.707 11.239 1.00 0.00 N ATOM 0 H ARG A 57 -4.834 1.335 3.789 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.502 0.643 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.725 2.529 6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.883 1.104 6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.759 2.169 6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.355 3.458 5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.359 4.580 7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.979 3.914 7.722 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.088 2.062 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.812 5.087 9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.788 4.896 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.064 1.823 11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.803 3.057 12.167 1.00 0.00 H new ATOM 950 N GLN A 58 -8.278 2.720 3.322 1.00 0.00 N ATOM 951 CA GLN A 58 -8.669 3.763 2.381 1.00 0.00 C ATOM 952 C GLN A 58 -9.333 4.929 3.106 1.00 0.00 C ATOM 953 O GLN A 58 -10.127 4.730 4.025 1.00 0.00 O ATOM 954 CB GLN A 58 -9.618 3.197 1.323 1.00 0.00 C ATOM 955 CG GLN A 58 -11.037 2.992 1.827 1.00 0.00 C ATOM 956 CD GLN A 58 -11.971 2.480 0.748 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.709 1.516 0.955 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.944 3.124 -0.412 1.00 0.00 N ATOM 0 H GLN A 58 -9.053 2.159 3.676 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.768 4.130 1.890 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.639 3.872 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.226 2.244 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.025 2.286 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.420 3.935 2.216 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.317 3.918 -0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.551 2.825 -1.176 1.00 0.00 H new ATOM 967 N GLY A 59 -9.003 6.147 2.687 1.00 0.00 N ATOM 968 CA GLY A 59 -9.577 7.326 3.308 1.00 0.00 C ATOM 969 C GLY A 59 -9.911 8.408 2.300 1.00 0.00 C ATOM 970 O GLY A 59 -9.354 8.437 1.202 1.00 0.00 O ATOM 0 H GLY A 59 -8.348 6.338 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.481 7.045 3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.877 7.723 4.044 1.00 0.00 H new ATOM 974 N PHE A 60 -10.825 9.298 2.671 1.00 0.00 N ATOM 975 CA PHE A 60 -11.235 10.385 1.790 1.00 0.00 C ATOM 976 C PHE A 60 -10.290 11.576 1.919 1.00 0.00 C ATOM 977 O PHE A 60 -9.775 11.861 3.001 1.00 0.00 O ATOM 978 CB PHE A 60 -12.666 10.819 2.112 1.00 0.00 C ATOM 979 CG PHE A 60 -13.667 9.703 2.018 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.788 8.776 3.041 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.485 9.580 0.907 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.707 7.747 2.956 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.407 8.554 0.817 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.518 7.636 1.844 1.00 0.00 C ATOM 0 H PHE A 60 -11.296 9.288 3.576 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.195 10.021 0.763 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.693 11.236 3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.958 11.616 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.158 8.858 3.914 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.401 10.294 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.791 7.030 3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.039 8.470 -0.054 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.238 6.833 1.777 1.00 0.00 H new ATOM 994 N VAL A 61 -10.064 12.268 0.807 1.00 0.00 N ATOM 995 CA VAL A 61 -9.181 13.429 0.794 1.00 0.00 C ATOM 996 C VAL A 61 -9.558 14.394 -0.325 1.00 0.00 C ATOM 997 O VAL A 61 -10.161 14.014 -1.329 1.00 0.00 O ATOM 998 CB VAL A 61 -7.709 13.011 0.623 1.00 0.00 C ATOM 999 CG1 VAL A 61 -7.150 12.475 1.931 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.573 11.980 -0.487 1.00 0.00 C ATOM 0 H VAL A 61 -10.480 12.045 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.300 13.929 1.755 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.130 13.891 0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.109 12.185 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.211 13.248 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.729 11.607 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.526 11.696 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.164 11.099 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.931 12.405 -1.425 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.195 15.673 -0.150 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.484 16.720 -1.135 1.00 0.00 C ATOM 1012 C PRO A 62 -8.663 16.558 -2.410 1.00 0.00 C ATOM 1013 O PRO A 62 -7.447 16.752 -2.405 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.094 18.009 -0.407 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.081 17.584 0.599 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.474 16.196 1.023 1.00 0.00 C ATOM 0 HA PRO A 62 -10.524 16.697 -1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.682 18.745 -1.098 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.958 18.470 0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.079 17.592 0.171 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.069 18.263 1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.602 15.587 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.107 16.211 1.910 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.335 16.203 -3.500 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.667 16.019 -4.782 1.00 0.00 C ATOM 1026 C ALA A 63 -8.018 17.315 -5.255 1.00 0.00 C ATOM 1027 O ALA A 63 -7.016 17.294 -5.968 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.654 15.511 -5.823 1.00 0.00 C ATOM 0 H ALA A 63 -10.341 16.037 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.880 15.277 -4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.142 15.378 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.068 14.557 -5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.461 16.234 -5.943 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.596 18.442 -4.853 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.073 19.748 -5.234 1.00 0.00 C ATOM 1036 C ALA A 64 -6.700 19.991 -4.617 1.00 0.00 C ATOM 1037 O ALA A 64 -5.983 20.910 -5.015 1.00 0.00 O ATOM 1038 CB ALA A 64 -9.041 20.846 -4.820 1.00 0.00 C ATOM 0 H ALA A 64 -9.427 18.477 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.964 19.765 -6.318 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.637 21.816 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.001 20.690 -5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.180 20.820 -3.739 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.339 19.162 -3.644 1.00 0.00 N ATOM 1045 CA TYR A 65 -5.053 19.289 -2.969 1.00 0.00 C ATOM 1046 C TYR A 65 -4.065 18.244 -3.479 1.00 0.00 C ATOM 1047 O TYR A 65 -2.922 18.179 -3.026 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.229 19.145 -1.457 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.582 20.440 -0.762 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.446 21.355 -1.352 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -5.052 20.750 0.484 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.771 22.540 -0.721 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.372 21.932 1.123 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.231 22.824 0.517 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.553 24.003 1.149 1.00 0.00 O ATOM 0 H TYR A 65 -6.919 18.395 -3.305 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.653 20.279 -3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.011 18.412 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.307 18.752 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.871 21.136 -2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.378 20.054 0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.444 23.240 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.952 22.156 2.092 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.090 24.049 2.012 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.514 17.427 -4.427 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.671 16.385 -5.001 1.00 0.00 C ATOM 1067 C VAL A 66 -3.849 16.306 -6.513 1.00 0.00 C ATOM 1068 O VAL A 66 -4.626 17.061 -7.099 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.983 15.008 -4.386 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.784 15.039 -2.878 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.399 14.577 -4.736 1.00 0.00 C ATOM 0 H VAL A 66 -5.457 17.467 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.639 16.651 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.291 14.277 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.009 14.057 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.750 15.300 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.450 15.781 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.602 13.602 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.108 15.307 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.502 14.512 -5.819 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.125 15.386 -7.141 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.203 15.205 -8.586 1.00 0.00 C ATOM 1083 C LYS A 67 -2.767 13.798 -8.982 1.00 0.00 C ATOM 1084 O LYS A 67 -2.132 13.090 -8.200 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.330 16.241 -9.298 1.00 0.00 C ATOM 1086 CG LYS A 67 -0.841 16.024 -9.095 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.017 16.957 -9.968 1.00 0.00 C ATOM 1088 CE LYS A 67 0.341 16.307 -11.296 1.00 0.00 C ATOM 1089 NZ LYS A 67 0.839 17.303 -12.284 1.00 0.00 N ATOM 0 H LYS A 67 -2.477 14.753 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.241 15.343 -8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.550 16.217 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.596 17.236 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.588 16.187 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.588 14.989 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.576 17.875 -10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.895 17.238 -9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.103 15.544 -11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.535 15.801 -11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.072 16.821 -13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.103 18.017 -12.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.690 17.768 -11.909 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.109 13.399 -10.202 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.751 12.078 -10.705 1.00 0.00 C ATOM 1105 C LYS A 68 -1.259 11.998 -11.010 1.00 0.00 C ATOM 1106 O LYS A 68 -0.701 12.878 -11.667 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.558 11.752 -11.964 1.00 0.00 C ATOM 1108 CG LYS A 68 -3.748 10.263 -12.196 1.00 0.00 C ATOM 1109 CD LYS A 68 -4.879 9.991 -13.174 1.00 0.00 C ATOM 1110 CE LYS A 68 -5.416 8.576 -13.025 1.00 0.00 C ATOM 1111 NZ LYS A 68 -4.466 7.562 -13.560 1.00 0.00 N ATOM 0 H LYS A 68 -3.635 13.972 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.986 11.347 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.536 12.228 -11.892 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.056 12.185 -12.829 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.823 9.833 -12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.960 9.770 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.685 10.706 -13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.524 10.141 -14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.611 8.371 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.369 8.492 -13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.869 6.611 -13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.299 7.742 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.565 7.624 -13.044 1.00 0.00 H new