USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 433 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 9 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.129) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 174:sc= -3.2! USER MOD Single : A 14 TYR OH : rot -72:sc= 0.263 USER MOD Single : A 15 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.7!) USER MOD Single : A 17 ASN :FLIP amide:sc= -2.73! C(o=-5.6!,f=-2.7!) USER MOD Single : A 20 SER OG : rot -86:sc= 0.315 USER MOD Single : A 24 ASN : amide:sc= -0.256 K(o=-0.26,f=-1.8!) USER MOD Single : A 29 ASN : amide:sc= -1.5! C(o=-1.5!,f=-3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 32 LYS NZ :NH3+ -138:sc= -0.163 (180deg=-0.685) USER MOD Single : A 33 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.025) USER MOD Single : A 38 THR OG1 : rot 69:sc= 0.785 USER MOD Single : A 39 SER OG : rot -130:sc= -0.887 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.443 F(o=-2.9,f=-0.44) USER MOD Single : A 57 THR OG1 : rot -52:sc= -6.97! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -152:sc= -2.08 (180deg=-2.99!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= -0.279 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 6.123 -2.204 9.032 1.00 0.00 N ATOM 105 CA GLU A 8 6.103 -0.771 8.761 1.00 0.00 C ATOM 106 C GLU A 8 4.694 -0.303 8.411 1.00 0.00 C ATOM 107 O GLU A 8 4.132 -0.703 7.392 1.00 0.00 O ATOM 108 CB GLU A 8 7.062 -0.434 7.618 1.00 0.00 C ATOM 109 CG GLU A 8 8.469 -0.970 7.828 1.00 0.00 C ATOM 110 CD GLU A 8 9.535 0.081 7.586 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.518 0.707 6.505 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.387 0.278 8.478 1.00 0.00 O ATOM 0 HA GLU A 8 6.426 -0.252 9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.663 -0.839 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.108 0.649 7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.562 -1.349 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.636 -1.813 7.158 1.00 0.00 H new ATOM 119 N LYS A 9 4.128 0.545 9.265 1.00 0.00 N ATOM 120 CA LYS A 9 2.785 1.066 9.044 1.00 0.00 C ATOM 121 C LYS A 9 2.826 2.553 8.703 1.00 0.00 C ATOM 122 O LYS A 9 3.361 3.361 9.460 1.00 0.00 O ATOM 123 CB LYS A 9 1.914 0.835 10.281 1.00 0.00 C ATOM 124 CG LYS A 9 2.135 1.859 11.382 1.00 0.00 C ATOM 125 CD LYS A 9 1.082 2.954 11.341 1.00 0.00 C ATOM 126 CE LYS A 9 1.680 4.315 11.656 1.00 0.00 C ATOM 127 NZ LYS A 9 0.719 5.190 12.383 1.00 0.00 N ATOM 0 H LYS A 9 4.578 0.885 10.115 1.00 0.00 H new ATOM 0 HA LYS A 9 2.350 0.532 8.199 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.865 0.853 9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.116 -0.160 10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.109 1.363 12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.126 2.301 11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.619 2.978 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.292 2.728 12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.580 4.186 12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.984 4.801 10.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.887 6.182 12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.254 4.925 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.852 5.075 13.408 1.00 0.00 H new ATOM 141 N LYS A 10 2.252 2.904 7.557 1.00 0.00 N ATOM 142 CA LYS A 10 2.216 4.290 7.110 1.00 0.00 C ATOM 143 C LYS A 10 0.839 4.634 6.563 1.00 0.00 C ATOM 144 O LYS A 10 -0.086 3.826 6.635 1.00 0.00 O ATOM 145 CB LYS A 10 3.279 4.539 6.038 1.00 0.00 C ATOM 146 CG LYS A 10 4.188 5.715 6.351 1.00 0.00 C ATOM 147 CD LYS A 10 4.658 5.680 7.796 1.00 0.00 C ATOM 148 CE LYS A 10 6.078 6.204 7.933 1.00 0.00 C ATOM 149 NZ LYS A 10 6.220 7.128 9.091 1.00 0.00 N ATOM 0 H LYS A 10 1.804 2.245 6.920 1.00 0.00 H new ATOM 0 HA LYS A 10 2.427 4.930 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.886 3.641 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.786 4.715 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.051 5.698 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.657 6.648 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.987 6.279 8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.609 4.658 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.764 5.366 8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.363 6.723 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.203 7.463 9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.584 7.941 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.973 6.626 9.968 1.00 0.00 H new ATOM 163 N GLU A 11 0.707 5.833 6.009 1.00 0.00 N ATOM 164 CA GLU A 11 -0.562 6.271 5.449 1.00 0.00 C ATOM 165 C GLU A 11 -0.706 5.792 4.010 1.00 0.00 C ATOM 166 O GLU A 11 0.074 6.177 3.138 1.00 0.00 O ATOM 167 CB GLU A 11 -0.676 7.795 5.511 1.00 0.00 C ATOM 168 CG GLU A 11 -1.469 8.296 6.707 1.00 0.00 C ATOM 169 CD GLU A 11 -1.590 9.806 6.736 1.00 0.00 C ATOM 170 OE1 GLU A 11 -0.900 10.472 5.936 1.00 0.00 O ATOM 171 OE2 GLU A 11 -2.373 10.323 7.559 1.00 0.00 O ATOM 0 H GLU A 11 1.461 6.516 5.936 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.366 5.836 6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.325 8.225 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.148 8.154 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.466 7.856 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.989 7.956 7.625 1.00 0.00 H new ATOM 178 N CYS A 12 -1.708 4.955 3.765 1.00 0.00 N ATOM 179 CA CYS A 12 -1.946 4.434 2.428 1.00 0.00 C ATOM 180 C CYS A 12 -2.158 5.585 1.456 1.00 0.00 C ATOM 181 O CYS A 12 -2.381 6.723 1.872 1.00 0.00 O ATOM 182 CB CYS A 12 -3.157 3.500 2.426 1.00 0.00 C ATOM 183 SG CYS A 12 -3.488 2.700 0.823 1.00 0.00 S ATOM 0 H CYS A 12 -2.365 4.625 4.472 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.074 3.862 2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.006 2.727 3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.039 4.067 2.724 1.00 0.00 H new ATOM 188 N TYR A 13 -2.073 5.302 0.164 1.00 0.00 N ATOM 189 CA TYR A 13 -2.245 6.343 -0.837 1.00 0.00 C ATOM 190 C TYR A 13 -2.956 5.824 -2.080 1.00 0.00 C ATOM 191 O TYR A 13 -2.348 5.159 -2.919 1.00 0.00 O ATOM 192 CB TYR A 13 -0.885 6.909 -1.240 1.00 0.00 C ATOM 193 CG TYR A 13 -0.501 8.183 -0.504 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.330 8.167 0.871 1.00 0.00 C ATOM 195 CD2 TYR A 13 -0.323 9.398 -1.173 1.00 0.00 C ATOM 196 CE1 TYR A 13 0.005 9.312 1.565 1.00 0.00 C ATOM 197 CE2 TYR A 13 0.008 10.548 -0.483 1.00 0.00 C ATOM 198 CZ TYR A 13 0.170 10.500 0.885 1.00 0.00 C ATOM 199 OH TYR A 13 0.499 11.644 1.575 1.00 0.00 O ATOM 0 H TYR A 13 -1.888 4.372 -0.212 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.862 7.123 -0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.121 6.153 -1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.889 7.108 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.461 7.240 1.410 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.446 9.438 -2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.137 9.278 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.139 11.480 -1.013 1.00 0.00 H new ATOM 0 HH TYR A 13 0.673 12.370 0.940 1.00 0.00 H new ATOM 209 N TYR A 14 -4.234 6.157 -2.214 1.00 0.00 N ATOM 210 CA TYR A 14 -4.999 5.746 -3.381 1.00 0.00 C ATOM 211 C TYR A 14 -5.107 6.911 -4.366 1.00 0.00 C ATOM 212 O TYR A 14 -5.869 6.856 -5.332 1.00 0.00 O ATOM 213 CB TYR A 14 -6.393 5.261 -2.976 1.00 0.00 C ATOM 214 CG TYR A 14 -6.394 4.278 -1.823 1.00 0.00 C ATOM 215 CD1 TYR A 14 -6.226 4.717 -0.516 1.00 0.00 C ATOM 216 CD2 TYR A 14 -6.570 2.914 -2.039 1.00 0.00 C ATOM 217 CE1 TYR A 14 -6.234 3.829 0.544 1.00 0.00 C ATOM 218 CE2 TYR A 14 -6.580 2.021 -0.984 1.00 0.00 C ATOM 219 CZ TYR A 14 -6.412 2.483 0.304 1.00 0.00 C ATOM 220 OH TYR A 14 -6.421 1.596 1.355 1.00 0.00 O ATOM 0 H TYR A 14 -4.758 6.707 -1.533 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.480 4.917 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.002 6.124 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.868 4.794 -3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.087 5.771 -0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.701 2.548 -3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.102 4.188 1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.719 0.966 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.512 1.500 1.710 1.00 0.00 H new ATOM 230 N ASN A 15 -4.329 7.965 -4.109 1.00 0.00 N ATOM 231 CA ASN A 15 -4.319 9.151 -4.961 1.00 0.00 C ATOM 232 C ASN A 15 -2.897 9.696 -5.108 1.00 0.00 C ATOM 233 O ASN A 15 -2.699 10.854 -5.461 1.00 0.00 O ATOM 234 CB ASN A 15 -5.233 10.232 -4.381 1.00 0.00 C ATOM 235 CG ASN A 15 -5.872 11.086 -5.458 1.00 0.00 C ATOM 236 OD1 ASN A 15 -5.645 12.293 -5.526 1.00 0.00 O ATOM 237 ND2 ASN A 15 -6.677 10.460 -6.308 1.00 0.00 N ATOM 0 H ASN A 15 -3.695 8.019 -3.312 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.689 8.866 -5.946 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.014 9.762 -3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.657 10.869 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.136 10.982 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.837 9.457 -6.214 1.00 0.00 H new ATOM 244 N LEU A 16 -1.916 8.846 -4.800 1.00 0.00 N ATOM 245 CA LEU A 16 -0.492 9.206 -4.828 1.00 0.00 C ATOM 246 C LEU A 16 0.026 9.174 -6.243 1.00 0.00 C ATOM 247 O LEU A 16 -0.719 9.498 -7.156 1.00 0.00 O ATOM 248 CB LEU A 16 0.319 8.179 -4.010 1.00 0.00 C ATOM 249 CG LEU A 16 0.321 6.717 -4.503 1.00 0.00 C ATOM 250 CD1 LEU A 16 -0.877 6.398 -5.379 1.00 0.00 C ATOM 251 CD2 LEU A 16 1.614 6.380 -5.233 1.00 0.00 C ATOM 0 H LEU A 16 -2.086 7.880 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.384 10.207 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.353 8.522 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.060 8.189 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 16 0.250 6.093 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.827 5.357 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.795 6.560 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.871 7.047 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.583 5.343 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.726 7.036 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.459 6.519 -4.559 1.00 0.00 H new ATOM 263 N ASN A 17 1.291 8.800 -6.412 1.00 0.00 N ATOM 264 CA ASN A 17 1.906 8.703 -7.718 1.00 0.00 C ATOM 265 C ASN A 17 3.396 8.996 -7.656 1.00 0.00 C ATOM 266 O ASN A 17 3.890 9.918 -8.303 1.00 0.00 O ATOM 267 CB ASN A 17 1.217 9.599 -8.746 1.00 0.00 C ATOM 268 CG ASN A 17 0.115 8.859 -9.489 1.00 0.00 C ATOM 269 OD1 ASN A 17 -0.415 7.799 -8.872 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -0.258 9.234 -10.601 1.00 0.00 N flip ATOM 0 H ASN A 17 1.914 8.557 -5.642 1.00 0.00 H new ATOM 0 HA ASN A 17 1.779 7.672 -8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.796 10.471 -8.245 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.954 9.967 -9.460 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.174 10.049 -11.036 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.999 8.730 -11.087 1.00 0.00 H new ATOM 277 N ASP A 18 4.104 8.185 -6.875 1.00 0.00 N ATOM 278 CA ASP A 18 5.546 8.318 -6.718 1.00 0.00 C ATOM 279 C ASP A 18 5.888 9.260 -5.575 1.00 0.00 C ATOM 280 O ASP A 18 5.327 10.348 -5.469 1.00 0.00 O ATOM 281 CB ASP A 18 6.170 8.816 -8.016 1.00 0.00 C ATOM 282 CG ASP A 18 7.635 8.445 -8.138 1.00 0.00 C ATOM 283 OD1 ASP A 18 7.926 7.288 -8.510 1.00 0.00 O ATOM 284 OD2 ASP A 18 8.493 9.310 -7.861 1.00 0.00 O ATOM 0 H ASP A 18 3.695 7.421 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 18 5.954 7.336 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.622 8.400 -8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.067 9.900 -8.072 1.00 0.00 H new ATOM 289 N ALA A 19 6.808 8.828 -4.719 1.00 0.00 N ATOM 290 CA ALA A 19 7.226 9.623 -3.570 1.00 0.00 C ATOM 291 C ALA A 19 7.908 10.922 -3.994 1.00 0.00 C ATOM 292 O ALA A 19 9.046 11.188 -3.608 1.00 0.00 O ATOM 293 CB ALA A 19 8.151 8.809 -2.679 1.00 0.00 C ATOM 0 H ALA A 19 7.280 7.928 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 19 6.330 9.891 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.457 9.412 -1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.628 7.920 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.033 8.510 -3.246 1.00 0.00 H new ATOM 299 N SER A 20 7.203 11.733 -4.774 1.00 0.00 N ATOM 300 CA SER A 20 7.740 13.010 -5.230 1.00 0.00 C ATOM 301 C SER A 20 6.709 13.771 -6.069 1.00 0.00 C ATOM 302 O SER A 20 7.055 14.512 -6.989 1.00 0.00 O ATOM 303 CB SER A 20 9.024 12.794 -6.030 1.00 0.00 C ATOM 304 OG SER A 20 8.740 12.296 -7.327 1.00 0.00 O ATOM 0 H SER A 20 6.259 11.530 -5.104 1.00 0.00 H new ATOM 0 HA SER A 20 7.973 13.612 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.569 13.735 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.672 12.094 -5.502 1.00 0.00 H new ATOM 0 HG SER A 20 8.670 11.319 -7.294 1.00 0.00 H new ATOM 310 N LEU A 21 5.447 13.566 -5.725 1.00 0.00 N ATOM 311 CA LEU A 21 4.309 14.193 -6.397 1.00 0.00 C ATOM 312 C LEU A 21 3.024 13.553 -5.884 1.00 0.00 C ATOM 313 O LEU A 21 1.981 14.195 -5.761 1.00 0.00 O ATOM 314 CB LEU A 21 4.412 14.016 -7.914 1.00 0.00 C ATOM 315 CG LEU A 21 4.228 12.579 -8.405 1.00 0.00 C ATOM 316 CD1 LEU A 21 2.752 12.214 -8.437 1.00 0.00 C ATOM 317 CD2 LEU A 21 4.855 12.402 -9.779 1.00 0.00 C ATOM 0 H LEU A 21 5.176 12.950 -4.959 1.00 0.00 H new ATOM 0 HA LEU A 21 4.306 15.261 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.662 14.647 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.387 14.375 -8.242 1.00 0.00 H new ATOM 0 HG LEU A 21 4.732 11.908 -7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.638 11.189 -8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.334 12.302 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.225 12.889 -9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.715 11.374 -10.113 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.379 13.081 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.921 12.624 -9.724 1.00 0.00 H new ATOM 329 N CYS A 22 3.148 12.271 -5.568 1.00 0.00 N ATOM 330 CA CYS A 22 2.068 11.453 -5.034 1.00 0.00 C ATOM 331 C CYS A 22 0.956 12.241 -4.346 1.00 0.00 C ATOM 332 O CYS A 22 1.189 12.952 -3.373 1.00 0.00 O ATOM 333 CB CYS A 22 2.649 10.448 -4.044 1.00 0.00 C ATOM 334 SG CYS A 22 4.105 11.067 -3.144 1.00 0.00 S ATOM 0 H CYS A 22 4.023 11.759 -5.679 1.00 0.00 H new ATOM 0 HA CYS A 22 1.607 10.963 -5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.878 10.173 -3.324 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.923 9.540 -4.580 1.00 0.00 H new ATOM 339 N ASP A 23 -0.277 12.072 -4.811 1.00 0.00 N ATOM 340 CA ASP A 23 -1.391 12.750 -4.156 1.00 0.00 C ATOM 341 C ASP A 23 -2.140 11.795 -3.205 1.00 0.00 C ATOM 342 O ASP A 23 -1.873 10.581 -3.159 1.00 0.00 O ATOM 343 CB ASP A 23 -2.356 13.353 -5.184 1.00 0.00 C ATOM 344 CG ASP A 23 -1.855 13.212 -6.610 1.00 0.00 C ATOM 345 OD1 ASP A 23 -1.428 12.099 -6.982 1.00 0.00 O ATOM 346 OD2 ASP A 23 -1.888 14.215 -7.353 1.00 0.00 O ATOM 0 H ASP A 23 -0.527 11.492 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.976 13.565 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.327 12.866 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.507 14.409 -4.959 1.00 0.00 H new ATOM 351 N ASN A 24 -3.077 12.349 -2.445 1.00 0.00 N ATOM 352 CA ASN A 24 -3.861 11.559 -1.502 1.00 0.00 C ATOM 353 C ASN A 24 -5.327 11.975 -1.540 1.00 0.00 C ATOM 354 O ASN A 24 -5.712 12.846 -2.321 1.00 0.00 O ATOM 355 CB ASN A 24 -3.308 11.719 -0.084 1.00 0.00 C ATOM 356 CG ASN A 24 -3.291 13.166 0.369 1.00 0.00 C ATOM 357 OD1 ASN A 24 -2.680 14.021 -0.271 1.00 0.00 O ATOM 358 ND2 ASN A 24 -3.962 13.445 1.480 1.00 0.00 N ATOM 0 H ASN A 24 -3.313 13.341 -2.463 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.789 10.511 -1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.912 11.132 0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.296 11.316 -0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.985 14.401 1.835 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.454 12.704 1.978 1.00 0.00 H new ATOM 365 N VAL A 25 -6.144 11.353 -0.695 1.00 0.00 N ATOM 366 CA VAL A 25 -7.565 11.673 -0.647 1.00 0.00 C ATOM 367 C VAL A 25 -8.302 10.814 0.377 1.00 0.00 C ATOM 368 O VAL A 25 -9.175 11.303 1.094 1.00 0.00 O ATOM 369 CB VAL A 25 -8.225 11.490 -2.028 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.503 10.020 -2.302 1.00 0.00 C ATOM 371 CG2 VAL A 25 -9.501 12.311 -2.121 1.00 0.00 C ATOM 0 H VAL A 25 -5.848 10.630 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.639 12.718 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.533 11.848 -2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.969 9.914 -3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.566 9.463 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.173 9.628 -1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.954 12.170 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.199 11.987 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.266 13.366 -1.978 1.00 0.00 H new ATOM 381 N LEU A 26 -7.952 9.535 0.437 1.00 0.00 N ATOM 382 CA LEU A 26 -8.592 8.614 1.371 1.00 0.00 C ATOM 383 C LEU A 26 -7.702 7.410 1.648 1.00 0.00 C ATOM 384 O LEU A 26 -7.661 6.465 0.862 1.00 0.00 O ATOM 385 CB LEU A 26 -9.932 8.144 0.808 1.00 0.00 C ATOM 386 CG LEU A 26 -11.116 9.069 1.096 1.00 0.00 C ATOM 387 CD1 LEU A 26 -11.593 9.741 -0.183 1.00 0.00 C ATOM 388 CD2 LEU A 26 -12.252 8.292 1.747 1.00 0.00 C ATOM 0 H LEU A 26 -7.231 9.112 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.757 9.144 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.835 8.029 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.154 7.158 1.215 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.787 9.844 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.436 10.395 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.781 10.329 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.905 8.981 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.086 8.965 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.579 7.496 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.905 7.858 2.685 1.00 0.00 H new ATOM 400 N ALA A 27 -6.990 7.446 2.770 1.00 0.00 N ATOM 401 CA ALA A 27 -6.107 6.352 3.138 1.00 0.00 C ATOM 402 C ALA A 27 -5.683 6.443 4.600 1.00 0.00 C ATOM 403 O ALA A 27 -5.207 7.483 5.058 1.00 0.00 O ATOM 404 CB ALA A 27 -4.886 6.344 2.239 1.00 0.00 C ATOM 0 H ALA A 27 -7.009 8.219 3.436 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.656 5.420 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.231 5.521 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.198 6.218 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.350 7.287 2.345 1.00 0.00 H new ATOM 410 N PRO A 28 -5.853 5.346 5.349 1.00 0.00 N ATOM 411 CA PRO A 28 -5.492 5.281 6.764 1.00 0.00 C ATOM 412 C PRO A 28 -4.032 4.898 6.972 1.00 0.00 C ATOM 413 O PRO A 28 -3.320 4.586 6.017 1.00 0.00 O ATOM 414 CB PRO A 28 -6.403 4.170 7.272 1.00 0.00 C ATOM 415 CG PRO A 28 -6.486 3.222 6.121 1.00 0.00 C ATOM 416 CD PRO A 28 -6.416 4.069 4.873 1.00 0.00 C ATOM 0 HA PRO A 28 -5.608 6.238 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.990 3.688 8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.386 4.553 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.668 2.502 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.414 2.651 6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.783 3.611 4.113 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.401 4.207 4.427 1.00 0.00 H new ATOM 424 N ASN A 29 -3.593 4.905 8.227 1.00 0.00 N ATOM 425 CA ASN A 29 -2.222 4.537 8.554 1.00 0.00 C ATOM 426 C ASN A 29 -2.137 3.039 8.816 1.00 0.00 C ATOM 427 O ASN A 29 -2.388 2.579 9.931 1.00 0.00 O ATOM 428 CB ASN A 29 -1.730 5.314 9.776 1.00 0.00 C ATOM 429 CG ASN A 29 -2.474 6.619 9.972 1.00 0.00 C ATOM 430 OD1 ASN A 29 -3.654 6.628 10.324 1.00 0.00 O ATOM 431 ND2 ASN A 29 -1.787 7.733 9.742 1.00 0.00 N ATOM 0 H ASN A 29 -4.166 5.161 9.031 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.583 4.790 7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.846 4.696 10.666 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.665 5.519 9.667 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.236 8.642 9.856 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.811 7.679 9.452 1.00 0.00 H new ATOM 438 N VAL A 30 -1.804 2.279 7.779 1.00 0.00 N ATOM 439 CA VAL A 30 -1.713 0.830 7.896 1.00 0.00 C ATOM 440 C VAL A 30 -0.407 0.298 7.321 1.00 0.00 C ATOM 441 O VAL A 30 0.475 1.064 6.935 1.00 0.00 O ATOM 442 CB VAL A 30 -2.892 0.145 7.173 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.178 0.914 7.416 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.620 0.021 5.679 1.00 0.00 C ATOM 0 H VAL A 30 -1.593 2.642 6.849 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.749 0.598 8.960 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.002 -0.860 7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.001 0.419 6.900 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.387 0.945 8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.071 1.931 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.467 -0.465 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.478 1.014 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.721 -0.574 5.521 1.00 0.00 H new ATOM 454 N THR A 31 -0.304 -1.023 7.251 1.00 0.00 N ATOM 455 CA THR A 31 0.877 -1.671 6.707 1.00 0.00 C ATOM 456 C THR A 31 0.700 -1.897 5.209 1.00 0.00 C ATOM 457 O THR A 31 -0.307 -2.455 4.774 1.00 0.00 O ATOM 458 CB THR A 31 1.130 -3.004 7.413 1.00 0.00 C ATOM 459 OG1 THR A 31 -0.059 -3.491 8.010 1.00 0.00 O ATOM 460 CG2 THR A 31 2.184 -2.914 8.498 1.00 0.00 C ATOM 0 H THR A 31 -1.029 -1.667 7.566 1.00 0.00 H new ATOM 0 HA THR A 31 1.738 -1.024 6.872 1.00 0.00 H new ATOM 0 HB THR A 31 1.486 -3.680 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.124 -4.345 8.455 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.316 -3.893 8.959 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.128 -2.588 8.062 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.867 -2.196 9.254 1.00 0.00 H new ATOM 468 N LYS A 32 1.679 -1.448 4.430 1.00 0.00 N ATOM 469 CA LYS A 32 1.640 -1.586 2.976 1.00 0.00 C ATOM 470 C LYS A 32 0.860 -2.827 2.553 1.00 0.00 C ATOM 471 O LYS A 32 0.045 -2.779 1.633 1.00 0.00 O ATOM 472 CB LYS A 32 3.063 -1.655 2.424 1.00 0.00 C ATOM 473 CG LYS A 32 3.981 -2.556 3.231 1.00 0.00 C ATOM 474 CD LYS A 32 5.433 -2.119 3.118 1.00 0.00 C ATOM 475 CE LYS A 32 6.120 -2.115 4.474 1.00 0.00 C ATOM 476 NZ LYS A 32 7.516 -1.602 4.388 1.00 0.00 N ATOM 0 H LYS A 32 2.515 -0.982 4.783 1.00 0.00 H new ATOM 0 HA LYS A 32 1.130 -0.713 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.028 -2.012 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.484 -0.650 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.677 -2.543 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.881 -3.584 2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.964 -2.789 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.481 -1.121 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.549 -1.499 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.129 -3.127 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.139 -2.191 4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.839 -1.637 3.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.546 -0.619 4.727 1.00 0.00 H new ATOM 490 N GLN A 33 1.122 -3.936 3.232 1.00 0.00 N ATOM 491 CA GLN A 33 0.460 -5.200 2.934 1.00 0.00 C ATOM 492 C GLN A 33 -1.057 -5.049 2.882 1.00 0.00 C ATOM 493 O GLN A 33 -1.706 -5.552 1.967 1.00 0.00 O ATOM 494 CB GLN A 33 0.840 -6.246 3.978 1.00 0.00 C ATOM 495 CG GLN A 33 2.337 -6.354 4.196 1.00 0.00 C ATOM 496 CD GLN A 33 2.767 -7.742 4.631 1.00 0.00 C ATOM 497 OE1 GLN A 33 3.404 -7.909 5.671 1.00 0.00 O ATOM 498 NE2 GLN A 33 2.419 -8.746 3.835 1.00 0.00 N ATOM 0 H GLN A 33 1.793 -3.986 3.998 1.00 0.00 H new ATOM 0 HA GLN A 33 0.796 -5.524 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.358 -5.998 4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.453 -7.217 3.668 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.854 -6.090 3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.643 -5.630 4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.891 -8.561 2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.680 -9.702 4.076 1.00 0.00 H new ATOM 507 N GLU A 34 -1.621 -4.370 3.873 1.00 0.00 N ATOM 508 CA GLU A 34 -3.067 -4.177 3.939 1.00 0.00 C ATOM 509 C GLU A 34 -3.544 -3.131 2.934 1.00 0.00 C ATOM 510 O GLU A 34 -4.437 -3.393 2.128 1.00 0.00 O ATOM 511 CB GLU A 34 -3.480 -3.760 5.351 1.00 0.00 C ATOM 512 CG GLU A 34 -2.687 -4.455 6.445 1.00 0.00 C ATOM 513 CD GLU A 34 -2.684 -5.964 6.294 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.781 -6.560 6.276 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.584 -6.548 6.193 1.00 0.00 O ATOM 0 H GLU A 34 -1.102 -3.944 4.641 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.536 -5.128 3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.357 -2.682 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.540 -3.975 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.660 -4.090 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.106 -4.192 7.416 1.00 0.00 H new ATOM 522 N CYS A 35 -2.955 -1.945 3.000 1.00 0.00 N ATOM 523 CA CYS A 35 -3.325 -0.849 2.111 1.00 0.00 C ATOM 524 C CYS A 35 -3.491 -1.319 0.665 1.00 0.00 C ATOM 525 O CYS A 35 -4.527 -1.081 0.046 1.00 0.00 O ATOM 526 CB CYS A 35 -2.281 0.268 2.204 1.00 0.00 C ATOM 527 SG CYS A 35 -2.065 1.257 0.685 1.00 0.00 S ATOM 0 H CYS A 35 -2.215 -1.715 3.663 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.292 -0.464 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.560 0.937 3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.321 -0.175 2.470 1.00 0.00 H new ATOM 532 N CYS A 36 -2.466 -1.971 0.125 1.00 0.00 N ATOM 533 CA CYS A 36 -2.518 -2.447 -1.254 1.00 0.00 C ATOM 534 C CYS A 36 -3.407 -3.677 -1.393 1.00 0.00 C ATOM 535 O CYS A 36 -4.140 -3.806 -2.373 1.00 0.00 O ATOM 536 CB CYS A 36 -1.113 -2.758 -1.768 1.00 0.00 C ATOM 537 SG CYS A 36 0.175 -1.619 -1.173 1.00 0.00 S ATOM 0 H CYS A 36 -1.597 -2.181 0.615 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.951 -1.649 -1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.848 -3.773 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.125 -2.736 -2.858 1.00 0.00 H new ATOM 542 N CYS A 37 -3.351 -4.580 -0.419 1.00 0.00 N ATOM 543 CA CYS A 37 -4.176 -5.781 -0.471 1.00 0.00 C ATOM 544 C CYS A 37 -5.632 -5.401 -0.711 1.00 0.00 C ATOM 545 O CYS A 37 -6.424 -6.204 -1.207 1.00 0.00 O ATOM 546 CB CYS A 37 -4.044 -6.583 0.824 1.00 0.00 C ATOM 547 SG CYS A 37 -4.984 -8.146 0.843 1.00 0.00 S ATOM 0 H CYS A 37 -2.753 -4.505 0.404 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.831 -6.405 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.990 -6.805 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.377 -5.963 1.656 1.00 0.00 H new ATOM 552 N THR A 38 -5.974 -4.164 -0.359 1.00 0.00 N ATOM 553 CA THR A 38 -7.329 -3.660 -0.536 1.00 0.00 C ATOM 554 C THR A 38 -7.498 -2.997 -1.902 1.00 0.00 C ATOM 555 O THR A 38 -8.581 -2.515 -2.235 1.00 0.00 O ATOM 556 CB THR A 38 -7.666 -2.656 0.564 1.00 0.00 C ATOM 557 OG1 THR A 38 -7.300 -3.162 1.835 1.00 0.00 O ATOM 558 CG2 THR A 38 -9.135 -2.302 0.614 1.00 0.00 C ATOM 0 H THR A 38 -5.327 -3.491 0.052 1.00 0.00 H new ATOM 0 HA THR A 38 -8.011 -4.508 -0.477 1.00 0.00 H new ATOM 0 HB THR A 38 -7.099 -1.757 0.322 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.323 -3.196 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.309 -1.585 1.416 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.436 -1.863 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.720 -3.203 0.799 1.00 0.00 H new ATOM 566 N SER A 39 -6.416 -2.966 -2.677 1.00 0.00 N ATOM 567 CA SER A 39 -6.425 -2.354 -4.002 1.00 0.00 C ATOM 568 C SER A 39 -6.074 -0.878 -3.903 1.00 0.00 C ATOM 569 O SER A 39 -6.946 -0.012 -3.965 1.00 0.00 O ATOM 570 CB SER A 39 -7.788 -2.527 -4.666 1.00 0.00 C ATOM 571 OG SER A 39 -7.651 -2.903 -6.026 1.00 0.00 O ATOM 0 H SER A 39 -5.515 -3.361 -2.406 1.00 0.00 H new ATOM 0 HA SER A 39 -5.676 -2.854 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.362 -3.285 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.350 -1.595 -4.598 1.00 0.00 H new ATOM 0 HG SER A 39 -8.207 -2.320 -6.584 1.00 0.00 H new ATOM 577 N GLY A 40 -4.789 -0.604 -3.731 1.00 0.00 N ATOM 578 CA GLY A 40 -4.335 0.764 -3.603 1.00 0.00 C ATOM 579 C GLY A 40 -3.565 1.266 -4.809 1.00 0.00 C ATOM 580 O GLY A 40 -3.866 0.913 -5.950 1.00 0.00 O ATOM 0 H GLY A 40 -4.052 -1.307 -3.678 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.198 1.410 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.703 0.846 -2.719 1.00 0.00 H new ATOM 584 N ALA A 41 -2.571 2.103 -4.539 1.00 0.00 N ATOM 585 CA ALA A 41 -1.731 2.692 -5.576 1.00 0.00 C ATOM 586 C ALA A 41 -0.340 2.996 -5.025 1.00 0.00 C ATOM 587 O ALA A 41 0.661 2.870 -5.729 1.00 0.00 O ATOM 588 CB ALA A 41 -2.386 3.950 -6.125 1.00 0.00 C ATOM 0 H ALA A 41 -2.324 2.393 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.621 1.978 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.752 4.383 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.357 3.698 -6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.519 4.672 -5.319 1.00 0.00 H new ATOM 594 N GLY A 42 -0.293 3.392 -3.750 1.00 0.00 N ATOM 595 CA GLY A 42 0.966 3.703 -3.102 1.00 0.00 C ATOM 596 C GLY A 42 0.840 3.754 -1.591 1.00 0.00 C ATOM 597 O GLY A 42 -0.227 4.066 -1.061 1.00 0.00 O ATOM 0 H GLY A 42 -1.114 3.502 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.708 2.954 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.332 4.663 -3.466 1.00 0.00 H new ATOM 601 N TRP A 43 1.926 3.427 -0.896 1.00 0.00 N ATOM 602 CA TRP A 43 1.930 3.419 0.565 1.00 0.00 C ATOM 603 C TRP A 43 3.170 4.115 1.122 1.00 0.00 C ATOM 604 O TRP A 43 4.297 3.797 0.735 1.00 0.00 O ATOM 605 CB TRP A 43 1.875 1.971 1.059 1.00 0.00 C ATOM 606 CG TRP A 43 1.938 1.819 2.551 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.900 1.901 3.441 1.00 0.00 C ATOM 608 CD2 TRP A 43 3.106 1.532 3.325 1.00 0.00 C ATOM 609 NE1 TRP A 43 1.359 1.686 4.717 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.710 1.457 4.673 1.00 0.00 C ATOM 611 CE3 TRP A 43 4.451 1.332 3.008 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.612 1.188 5.699 1.00 0.00 C ATOM 613 CZ3 TRP A 43 5.344 1.064 4.028 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.921 0.993 5.357 1.00 0.00 C ATOM 0 H TRP A 43 2.815 3.164 -1.321 1.00 0.00 H new ATOM 0 HA TRP A 43 1.056 3.967 0.918 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.954 1.512 0.698 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.702 1.417 0.615 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.127 2.105 3.178 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.787 1.695 5.562 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.788 1.386 1.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.289 1.135 6.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.386 0.907 3.793 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.643 0.780 6.131 1.00 0.00 H new ATOM 625 N GLY A 44 2.955 5.070 2.027 1.00 0.00 N ATOM 626 CA GLY A 44 4.063 5.795 2.624 1.00 0.00 C ATOM 627 C GLY A 44 3.609 6.946 3.504 1.00 0.00 C ATOM 628 O GLY A 44 2.446 7.016 3.903 1.00 0.00 O ATOM 0 H GLY A 44 2.032 5.353 2.356 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.664 5.106 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.707 6.180 1.833 1.00 0.00 H new ATOM 632 N ASP A 45 4.536 7.854 3.800 1.00 0.00 N ATOM 633 CA ASP A 45 4.238 9.024 4.628 1.00 0.00 C ATOM 634 C ASP A 45 4.119 10.257 3.743 1.00 0.00 C ATOM 635 O ASP A 45 4.937 10.456 2.846 1.00 0.00 O ATOM 636 CB ASP A 45 5.330 9.229 5.680 1.00 0.00 C ATOM 637 CG ASP A 45 6.588 9.839 5.096 1.00 0.00 C ATOM 638 OD1 ASP A 45 6.536 11.011 4.668 1.00 0.00 O ATOM 639 OD2 ASP A 45 7.625 9.144 5.065 1.00 0.00 O ATOM 0 H ASP A 45 5.503 7.803 3.479 1.00 0.00 H new ATOM 0 HA ASP A 45 3.293 8.861 5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.951 9.874 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.573 8.271 6.139 1.00 0.00 H new ATOM 644 N ASN A 46 3.086 11.072 3.965 1.00 0.00 N ATOM 645 CA ASN A 46 2.880 12.253 3.133 1.00 0.00 C ATOM 646 C ASN A 46 3.132 11.860 1.685 1.00 0.00 C ATOM 647 O ASN A 46 2.663 10.816 1.249 1.00 0.00 O ATOM 648 CB ASN A 46 3.806 13.395 3.555 1.00 0.00 C ATOM 649 CG ASN A 46 3.270 14.762 3.159 1.00 0.00 C ATOM 650 OD1 ASN A 46 2.456 14.817 2.103 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 3.583 15.766 3.799 1.00 0.00 N flip ATOM 0 H ASN A 46 2.392 10.938 4.700 1.00 0.00 H new ATOM 0 HA ASN A 46 1.858 12.613 3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.946 13.363 4.635 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.787 13.249 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.208 15.685 4.601 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.217 16.679 3.527 1.00 0.00 H new ATOM 658 N CYS A 47 3.886 12.652 0.935 1.00 0.00 N ATOM 659 CA CYS A 47 4.164 12.278 -0.438 1.00 0.00 C ATOM 660 C CYS A 47 5.449 11.465 -0.528 1.00 0.00 C ATOM 661 O CYS A 47 6.258 11.644 -1.438 1.00 0.00 O ATOM 662 CB CYS A 47 4.231 13.481 -1.361 1.00 0.00 C ATOM 663 SG CYS A 47 3.811 13.074 -3.059 1.00 0.00 S ATOM 0 H CYS A 47 4.303 13.530 1.244 1.00 0.00 H new ATOM 0 HA CYS A 47 3.331 11.660 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.551 14.251 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.236 13.902 -1.330 1.00 0.00 H new ATOM 668 N GLU A 48 5.594 10.540 0.409 1.00 0.00 N ATOM 669 CA GLU A 48 6.735 9.638 0.454 1.00 0.00 C ATOM 670 C GLU A 48 6.194 8.229 0.323 1.00 0.00 C ATOM 671 O GLU A 48 6.290 7.413 1.243 1.00 0.00 O ATOM 672 CB GLU A 48 7.509 9.800 1.765 1.00 0.00 C ATOM 673 CG GLU A 48 7.815 11.247 2.116 1.00 0.00 C ATOM 674 CD GLU A 48 8.817 11.877 1.170 1.00 0.00 C ATOM 675 OE1 GLU A 48 8.449 12.146 0.006 1.00 0.00 O ATOM 676 OE2 GLU A 48 9.971 12.101 1.590 1.00 0.00 O ATOM 0 H GLU A 48 4.922 10.393 1.162 1.00 0.00 H new ATOM 0 HA GLU A 48 7.431 9.862 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.933 9.352 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.445 9.246 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.891 11.825 2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.201 11.296 3.134 1.00 0.00 H new ATOM 683 N ILE A 49 5.551 7.993 -0.812 1.00 0.00 N ATOM 684 CA ILE A 49 4.893 6.727 -1.089 1.00 0.00 C ATOM 685 C ILE A 49 5.632 5.873 -2.118 1.00 0.00 C ATOM 686 O ILE A 49 6.505 6.349 -2.842 1.00 0.00 O ATOM 687 CB ILE A 49 3.460 7.014 -1.587 1.00 0.00 C ATOM 688 CG1 ILE A 49 2.514 7.143 -0.403 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.961 5.954 -2.555 1.00 0.00 C ATOM 690 CD1 ILE A 49 2.511 8.520 0.205 1.00 0.00 C ATOM 0 H ILE A 49 5.472 8.675 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 49 4.883 6.154 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 49 3.486 7.956 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.503 6.892 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.795 6.417 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.949 6.202 -2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.618 5.916 -3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.957 4.983 -2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.816 8.546 1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.513 8.765 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.201 9.248 -0.545 1.00 0.00 H new ATOM 702 N PHE A 50 5.233 4.603 -2.175 1.00 0.00 N ATOM 703 CA PHE A 50 5.800 3.644 -3.115 1.00 0.00 C ATOM 704 C PHE A 50 4.685 2.983 -3.925 1.00 0.00 C ATOM 705 O PHE A 50 3.727 2.457 -3.359 1.00 0.00 O ATOM 706 CB PHE A 50 6.595 2.571 -2.371 1.00 0.00 C ATOM 707 CG PHE A 50 6.945 2.945 -0.960 1.00 0.00 C ATOM 708 CD1 PHE A 50 7.670 4.095 -0.693 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.556 2.140 0.097 1.00 0.00 C ATOM 710 CE1 PHE A 50 7.998 4.436 0.605 1.00 0.00 C ATOM 711 CE2 PHE A 50 6.884 2.475 1.395 1.00 0.00 C ATOM 712 CZ PHE A 50 7.604 3.624 1.650 1.00 0.00 C ATOM 0 H PHE A 50 4.509 4.213 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 50 6.470 4.178 -3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.017 1.647 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.513 2.366 -2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.982 4.731 -1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.990 1.241 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.562 5.336 0.802 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.577 1.838 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.859 3.888 2.666 1.00 0.00 H new ATOM 722 N PRO A 51 4.796 3.001 -5.263 1.00 0.00 N ATOM 723 CA PRO A 51 3.795 2.402 -6.148 1.00 0.00 C ATOM 724 C PRO A 51 3.336 1.032 -5.657 1.00 0.00 C ATOM 725 O PRO A 51 3.986 0.019 -5.916 1.00 0.00 O ATOM 726 CB PRO A 51 4.542 2.278 -7.474 1.00 0.00 C ATOM 727 CG PRO A 51 5.525 3.398 -7.457 1.00 0.00 C ATOM 728 CD PRO A 51 5.910 3.606 -6.014 1.00 0.00 C ATOM 0 HA PRO A 51 2.884 2.997 -6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.042 1.313 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.862 2.360 -8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.399 3.156 -8.061 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.088 4.304 -7.877 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.859 3.124 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.023 4.664 -5.779 1.00 0.00 H new ATOM 736 N CYS A 52 2.217 1.011 -4.940 1.00 0.00 N ATOM 737 CA CYS A 52 1.674 -0.230 -4.403 1.00 0.00 C ATOM 738 C CYS A 52 0.151 -0.164 -4.272 1.00 0.00 C ATOM 739 O CYS A 52 -0.403 0.804 -3.736 1.00 0.00 O ATOM 740 CB CYS A 52 2.301 -0.522 -3.038 1.00 0.00 C ATOM 741 SG CYS A 52 1.790 -2.107 -2.302 1.00 0.00 S ATOM 0 H CYS A 52 1.668 1.842 -4.718 1.00 0.00 H new ATOM 0 HA CYS A 52 1.917 -1.034 -5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.386 -0.516 -3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.041 0.284 -2.352 1.00 0.00 H new ATOM 746 N PRO A 53 -0.556 -1.196 -4.758 1.00 0.00 N ATOM 747 CA PRO A 53 0.034 -2.366 -5.401 1.00 0.00 C ATOM 748 C PRO A 53 0.121 -2.218 -6.917 1.00 0.00 C ATOM 749 O PRO A 53 -0.037 -1.123 -7.457 1.00 0.00 O ATOM 750 CB PRO A 53 -0.957 -3.467 -5.040 1.00 0.00 C ATOM 751 CG PRO A 53 -2.281 -2.782 -4.867 1.00 0.00 C ATOM 752 CD PRO A 53 -2.016 -1.300 -4.715 1.00 0.00 C ATOM 0 HA PRO A 53 1.058 -2.547 -5.076 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.006 -4.222 -5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.658 -3.978 -4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.924 -2.969 -5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.800 -3.169 -3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.481 -0.727 -5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.416 -0.917 -3.776 1.00 0.00 H new ATOM 760 N VAL A 54 0.366 -3.334 -7.595 1.00 0.00 N ATOM 761 CA VAL A 54 0.468 -3.345 -9.048 1.00 0.00 C ATOM 762 C VAL A 54 -0.569 -4.286 -9.659 1.00 0.00 C ATOM 763 O VAL A 54 -0.807 -4.266 -10.866 1.00 0.00 O ATOM 764 CB VAL A 54 1.876 -3.772 -9.507 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.049 -3.542 -11.000 1.00 0.00 C ATOM 766 CG2 VAL A 54 2.940 -3.025 -8.720 1.00 0.00 C ATOM 0 H VAL A 54 0.498 -4.246 -7.158 1.00 0.00 H new ATOM 0 HA VAL A 54 0.279 -2.328 -9.392 1.00 0.00 H new ATOM 0 HB VAL A 54 1.992 -4.839 -9.314 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.050 -3.850 -11.302 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.309 -4.127 -11.546 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.912 -2.484 -11.223 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.928 -3.338 -9.056 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.825 -1.953 -8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.831 -3.247 -7.659 1.00 0.00 H new ATOM 776 N LEU A 55 -1.187 -5.106 -8.812 1.00 0.00 N ATOM 777 CA LEU A 55 -2.201 -6.056 -9.255 1.00 0.00 C ATOM 778 C LEU A 55 -1.656 -6.988 -10.331 1.00 0.00 C ATOM 779 O LEU A 55 -1.011 -6.547 -11.282 1.00 0.00 O ATOM 780 CB LEU A 55 -3.432 -5.319 -9.778 1.00 0.00 C ATOM 781 CG LEU A 55 -4.746 -5.696 -9.092 1.00 0.00 C ATOM 782 CD1 LEU A 55 -5.796 -4.621 -9.321 1.00 0.00 C ATOM 783 CD2 LEU A 55 -5.242 -7.043 -9.598 1.00 0.00 C ATOM 0 H LEU A 55 -1.001 -5.130 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.486 -6.660 -8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.273 -4.247 -9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.528 -5.513 -10.846 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.565 -5.775 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.724 -4.907 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.443 -3.674 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.975 -4.509 -10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.178 -7.297 -9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.407 -6.989 -10.674 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.497 -7.809 -9.383 1.00 0.00 H new ATOM 795 N GLY A 56 -1.925 -8.280 -10.173 1.00 0.00 N ATOM 796 CA GLY A 56 -1.459 -9.258 -11.137 1.00 0.00 C ATOM 797 C GLY A 56 -0.002 -9.060 -11.506 1.00 0.00 C ATOM 798 O GLY A 56 0.423 -9.425 -12.602 1.00 0.00 O ATOM 0 H GLY A 56 -2.458 -8.667 -9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.594 -10.259 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.070 -9.196 -12.037 1.00 0.00 H new ATOM 802 N THR A 57 0.765 -8.480 -10.588 1.00 0.00 N ATOM 803 CA THR A 57 2.183 -8.235 -10.823 1.00 0.00 C ATOM 804 C THR A 57 3.033 -8.806 -9.695 1.00 0.00 C ATOM 805 O THR A 57 2.594 -9.688 -8.956 1.00 0.00 O ATOM 806 CB THR A 57 2.446 -6.735 -10.965 1.00 0.00 C ATOM 807 OG1 THR A 57 1.236 -6.005 -10.872 1.00 0.00 O ATOM 808 CG2 THR A 57 3.106 -6.365 -12.276 1.00 0.00 C ATOM 0 H THR A 57 0.429 -8.171 -9.676 1.00 0.00 H new ATOM 0 HA THR A 57 2.461 -8.737 -11.750 1.00 0.00 H new ATOM 0 HB THR A 57 3.125 -6.481 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.581 -6.377 -11.499 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.264 -5.287 -12.312 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.066 -6.876 -12.357 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.464 -6.665 -13.104 1.00 0.00 H new ATOM 816 N ALA A 58 4.254 -8.300 -9.576 1.00 0.00 N ATOM 817 CA ALA A 58 5.182 -8.755 -8.547 1.00 0.00 C ATOM 818 C ALA A 58 4.765 -8.273 -7.161 1.00 0.00 C ATOM 819 O ALA A 58 4.336 -9.061 -6.320 1.00 0.00 O ATOM 820 CB ALA A 58 6.587 -8.277 -8.870 1.00 0.00 C ATOM 0 H ALA A 58 4.627 -7.570 -10.183 1.00 0.00 H new ATOM 0 HA ALA A 58 5.164 -9.845 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.275 -8.620 -8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.895 -8.679 -9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.601 -7.188 -8.910 1.00 0.00 H new ATOM 826 N GLU A 59 4.906 -6.975 -6.924 1.00 0.00 N ATOM 827 CA GLU A 59 4.553 -6.395 -5.634 1.00 0.00 C ATOM 828 C GLU A 59 3.297 -7.048 -5.060 1.00 0.00 C ATOM 829 O GLU A 59 3.382 -7.954 -4.232 1.00 0.00 O ATOM 830 CB GLU A 59 4.347 -4.884 -5.768 1.00 0.00 C ATOM 831 CG GLU A 59 5.334 -4.062 -4.955 1.00 0.00 C ATOM 832 CD GLU A 59 6.648 -3.844 -5.678 1.00 0.00 C ATOM 833 OE1 GLU A 59 6.620 -3.366 -6.832 1.00 0.00 O ATOM 834 OE2 GLU A 59 7.707 -4.151 -5.090 1.00 0.00 O ATOM 0 H GLU A 59 5.261 -6.305 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 59 5.377 -6.582 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.433 -4.606 -6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.333 -4.634 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.889 -3.095 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.525 -4.564 -4.007 1.00 0.00 H new ATOM 841 N PHE A 60 2.135 -6.572 -5.496 1.00 0.00 N ATOM 842 CA PHE A 60 0.860 -7.098 -5.019 1.00 0.00 C ATOM 843 C PHE A 60 0.909 -8.595 -4.737 1.00 0.00 C ATOM 844 O PHE A 60 0.782 -9.020 -3.591 1.00 0.00 O ATOM 845 CB PHE A 60 -0.243 -6.813 -6.027 1.00 0.00 C ATOM 846 CG PHE A 60 -1.612 -7.105 -5.487 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.128 -6.353 -4.446 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.378 -8.134 -6.009 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.382 -6.619 -3.933 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.635 -8.404 -5.502 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.137 -7.644 -4.460 1.00 0.00 C ATOM 0 H PHE A 60 2.050 -5.821 -6.181 1.00 0.00 H new ATOM 0 HA PHE A 60 0.649 -6.590 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.192 -5.767 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.075 -7.412 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.542 -5.547 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.989 -8.731 -6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.771 -6.024 -3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.225 -9.207 -5.918 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.118 -7.854 -4.061 1.00 0.00 H new ATOM 861 N THR A 61 1.061 -9.398 -5.785 1.00 0.00 N ATOM 862 CA THR A 61 1.091 -10.848 -5.624 1.00 0.00 C ATOM 863 C THR A 61 1.903 -11.242 -4.390 1.00 0.00 C ATOM 864 O THR A 61 1.532 -12.165 -3.664 1.00 0.00 O ATOM 865 CB THR A 61 1.640 -11.530 -6.883 1.00 0.00 C ATOM 866 OG1 THR A 61 1.157 -12.857 -6.981 1.00 0.00 O ATOM 867 CG2 THR A 61 3.149 -11.590 -6.942 1.00 0.00 C ATOM 0 H THR A 61 1.164 -9.074 -6.747 1.00 0.00 H new ATOM 0 HA THR A 61 0.067 -11.191 -5.478 1.00 0.00 H new ATOM 0 HB THR A 61 1.292 -10.912 -7.711 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.516 -13.277 -7.791 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.458 -12.087 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.554 -10.578 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.525 -12.148 -6.085 1.00 0.00 H new ATOM 875 N GLU A 62 2.998 -10.526 -4.144 1.00 0.00 N ATOM 876 CA GLU A 62 3.838 -10.797 -2.980 1.00 0.00 C ATOM 877 C GLU A 62 3.236 -10.139 -1.744 1.00 0.00 C ATOM 878 O GLU A 62 3.395 -10.620 -0.622 1.00 0.00 O ATOM 879 CB GLU A 62 5.259 -10.270 -3.198 1.00 0.00 C ATOM 880 CG GLU A 62 5.751 -10.392 -4.630 1.00 0.00 C ATOM 881 CD GLU A 62 7.020 -11.214 -4.742 1.00 0.00 C ATOM 882 OE1 GLU A 62 7.264 -12.054 -3.850 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.771 -11.016 -5.719 1.00 0.00 O ATOM 0 H GLU A 62 3.323 -9.758 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 62 3.885 -11.876 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.296 -9.222 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.941 -10.812 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.972 -10.848 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.931 -9.396 -5.035 1.00 0.00 H new ATOM 890 N MET A 63 2.545 -9.030 -1.974 1.00 0.00 N ATOM 891 CA MET A 63 1.904 -8.272 -0.911 1.00 0.00 C ATOM 892 C MET A 63 0.615 -8.944 -0.452 1.00 0.00 C ATOM 893 O MET A 63 0.529 -9.455 0.666 1.00 0.00 O ATOM 894 CB MET A 63 1.588 -6.862 -1.408 1.00 0.00 C ATOM 895 CG MET A 63 0.682 -6.075 -0.480 1.00 0.00 C ATOM 896 SD MET A 63 1.278 -4.398 -0.199 1.00 0.00 S ATOM 897 CE MET A 63 2.994 -4.710 0.210 1.00 0.00 C ATOM 0 H MET A 63 2.414 -8.632 -2.904 1.00 0.00 H new ATOM 0 HA MET A 63 2.590 -8.228 -0.065 1.00 0.00 H new ATOM 0 HB2 MET A 63 2.522 -6.315 -1.539 1.00 0.00 H new ATOM 0 HB3 MET A 63 1.118 -6.929 -2.389 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.321 -6.035 -0.904 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.604 -6.595 0.475 1.00 0.00 H new ATOM 0 HE1 MET A 63 3.362 -3.919 0.863 1.00 0.00 H new ATOM 0 HE2 MET A 63 3.078 -5.670 0.719 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.588 -4.731 -0.704 1.00 0.00 H new ATOM 907 N CYS A 64 -0.388 -8.923 -1.321 1.00 0.00 N ATOM 908 CA CYS A 64 -1.687 -9.510 -1.013 1.00 0.00 C ATOM 909 C CYS A 64 -1.946 -10.756 -1.853 1.00 0.00 C ATOM 910 O CYS A 64 -2.476 -10.671 -2.961 1.00 0.00 O ATOM 911 CB CYS A 64 -2.789 -8.480 -1.258 1.00 0.00 C ATOM 912 SG CYS A 64 -4.473 -9.075 -0.892 1.00 0.00 S ATOM 0 H CYS A 64 -0.326 -8.504 -2.249 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.687 -9.805 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.588 -7.599 -0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.748 -8.163 -2.300 1.00 0.00 H new ATOM 917 N PRO A 65 -1.578 -11.934 -1.329 1.00 0.00 N ATOM 918 CA PRO A 65 -1.774 -13.206 -2.026 1.00 0.00 C ATOM 919 C PRO A 65 -3.221 -13.685 -1.958 1.00 0.00 C ATOM 920 O PRO A 65 -3.543 -14.783 -2.413 1.00 0.00 O ATOM 921 CB PRO A 65 -0.857 -14.159 -1.262 1.00 0.00 C ATOM 922 CG PRO A 65 -0.820 -13.613 0.123 1.00 0.00 C ATOM 923 CD PRO A 65 -0.943 -12.116 -0.010 1.00 0.00 C ATOM 0 HA PRO A 65 -1.551 -13.134 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.243 -15.178 -1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.139 -14.190 -1.703 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.635 -14.018 0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.110 -13.884 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.551 -11.691 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.031 -11.628 0.037 1.00 0.00 H new ATOM 931 N LYS A 66 -4.088 -12.856 -1.385 1.00 0.00 N ATOM 932 CA LYS A 66 -5.501 -13.195 -1.255 1.00 0.00 C ATOM 933 C LYS A 66 -6.314 -12.609 -2.406 1.00 0.00 C ATOM 934 O LYS A 66 -6.698 -13.324 -3.331 1.00 0.00 O ATOM 935 CB LYS A 66 -6.051 -12.692 0.082 1.00 0.00 C ATOM 936 CG LYS A 66 -6.877 -13.727 0.828 1.00 0.00 C ATOM 937 CD LYS A 66 -6.028 -14.511 1.815 1.00 0.00 C ATOM 938 CE LYS A 66 -6.848 -14.975 3.008 1.00 0.00 C ATOM 939 NZ LYS A 66 -6.196 -16.105 3.726 1.00 0.00 N ATOM 0 H LYS A 66 -3.837 -11.944 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.589 -14.281 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.219 -12.380 0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.665 -11.809 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.690 -13.231 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.334 -14.413 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.590 -15.375 1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.201 -13.890 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.991 -14.142 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.838 -15.283 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.787 -16.391 4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.083 -16.910 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.262 -15.804 4.071 1.00 0.00 H new ATOM 953 N GLY A 67 -6.571 -11.306 -2.345 1.00 0.00 N ATOM 954 CA GLY A 67 -7.336 -10.654 -3.391 1.00 0.00 C ATOM 955 C GLY A 67 -7.572 -9.181 -3.116 1.00 0.00 C ATOM 956 O GLY A 67 -6.898 -8.583 -2.278 1.00 0.00 O ATOM 0 H GLY A 67 -6.264 -10.691 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.811 -10.762 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.297 -11.157 -3.499 1.00 0.00 H new ATOM 960 N LYS A 68 -8.531 -8.597 -3.827 1.00 0.00 N ATOM 961 CA LYS A 68 -8.857 -7.184 -3.664 1.00 0.00 C ATOM 962 C LYS A 68 -9.786 -6.968 -2.474 1.00 0.00 C ATOM 963 O LYS A 68 -10.651 -7.796 -2.189 1.00 0.00 O ATOM 964 CB LYS A 68 -9.511 -6.646 -4.938 1.00 0.00 C ATOM 965 CG LYS A 68 -9.447 -5.133 -5.063 1.00 0.00 C ATOM 966 CD LYS A 68 -10.291 -4.634 -6.224 1.00 0.00 C ATOM 967 CE LYS A 68 -11.475 -3.812 -5.739 1.00 0.00 C ATOM 968 NZ LYS A 68 -12.139 -4.434 -4.562 1.00 0.00 N ATOM 0 H LYS A 68 -9.097 -9.081 -4.523 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.930 -6.642 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.024 -7.095 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.554 -6.960 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.794 -4.675 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.412 -4.822 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.675 -4.029 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.650 -5.483 -6.806 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.137 -2.809 -5.477 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.197 -3.704 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.150 -4.192 -4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.030 -5.467 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.701 -4.078 -3.688 1.00 0.00 H new ATOM 982 N GLY A 69 -9.603 -5.847 -1.783 1.00 0.00 N ATOM 983 CA GLY A 69 -10.433 -5.538 -0.633 1.00 0.00 C ATOM 984 C GLY A 69 -10.657 -6.742 0.257 1.00 0.00 C ATOM 985 O GLY A 69 -11.634 -7.472 0.090 1.00 0.00 O ATOM 0 H GLY A 69 -8.894 -5.146 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.964 -4.743 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.396 -5.158 -0.975 1.00 0.00 H new ATOM 989 N PHE A 70 -9.749 -6.954 1.201 1.00 0.00 N ATOM 990 CA PHE A 70 -9.854 -8.084 2.116 1.00 0.00 C ATOM 991 C PHE A 70 -9.954 -7.618 3.566 1.00 0.00 C ATOM 992 O PHE A 70 -10.411 -8.362 4.433 1.00 0.00 O ATOM 993 CB PHE A 70 -8.650 -9.012 1.947 1.00 0.00 C ATOM 994 CG PHE A 70 -8.984 -10.305 1.258 1.00 0.00 C ATOM 995 CD1 PHE A 70 -9.614 -11.329 1.945 1.00 0.00 C ATOM 996 CD2 PHE A 70 -8.666 -10.494 -0.078 1.00 0.00 C ATOM 997 CE1 PHE A 70 -9.923 -12.518 1.313 1.00 0.00 C ATOM 998 CE2 PHE A 70 -8.971 -11.683 -0.714 1.00 0.00 C ATOM 999 CZ PHE A 70 -9.601 -12.696 -0.018 1.00 0.00 C ATOM 0 H PHE A 70 -8.934 -6.360 1.353 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.766 -8.629 1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.879 -8.494 1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.229 -9.230 2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -9.867 -11.197 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.175 -9.704 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.416 -13.308 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.717 -11.820 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.841 -13.625 -0.513 1.00 0.00 H new