USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -1.69 K(o=-8.7,f=-19!) USER MOD Set 1.2: A 46 ASN : amide:sc= -6.99! C(o=-8.7!,f=-20!) USER MOD Set 2.1: A 21 HIS : no HD1:sc= -11! C(o=-32!,f=-42!) USER MOD Set 2.2: A 35 GLN : amide:sc= -12.5! C(o=-32!,f=-44!) USER MOD Set 2.3: A 56 ASN : amide:sc= -8.83! C(o=-32!,f=-33!) USER MOD Set 3.1: A 5 GLN : amide:sc= -0.638 K(o=-0.85,f=-7.6!) USER MOD Set 3.2: A 6 HIS : no HE2:sc= -0.215 K(o=-0.85,f=-7.5!) USER MOD Single : A 1 LEU N :NH3+ -167:sc= -0.382 (180deg=-0.846) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -113:sc= -0.742 (180deg=-2.59!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-3.1!) USER MOD Single : A 16 MET CE :methyl 177:sc= -0.201 (180deg=-0.202) USER MOD Single : A 17 LYS NZ :NH3+ -148:sc= -0.131 (180deg=-0.678) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -16:sc= 0.508 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.0012) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.137 USER MOD Single : A 40 SER OG : rot 75:sc= 0.918 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 2:sc= 1.21 USER MOD Single : A 47 ASN : amide:sc= -3.93! C(o=-3.9!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.024 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0.512 (180deg=0.512) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.246 -4.387 -10.469 1.00 0.00 N ATOM 2 CA LEU A 1 2.016 -4.862 -9.771 1.00 0.00 C ATOM 3 C LEU A 1 2.402 -5.554 -8.467 1.00 0.00 C ATOM 4 O LEU A 1 1.989 -6.684 -8.209 1.00 0.00 O ATOM 5 CB LEU A 1 1.264 -5.841 -10.674 1.00 0.00 C ATOM 6 CG LEU A 1 -0.109 -6.139 -10.068 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.104 -5.069 -10.518 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.589 -7.511 -10.543 1.00 0.00 C ATOM 0 H1 LEU A 1 2.981 -3.732 -11.232 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.863 -3.896 -9.790 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.753 -5.201 -10.872 1.00 0.00 H new ATOM 0 HA LEU A 1 1.373 -4.011 -9.547 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.149 -5.418 -11.672 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.834 -6.764 -10.783 1.00 0.00 H new ATOM 0 HG LEU A 1 -0.036 -6.136 -8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -2.083 -5.279 -10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.762 -4.090 -10.182 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -1.177 -5.074 -11.606 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.567 -7.724 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.664 -7.514 -11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.121 -8.275 -10.226 1.00 0.00 H new ATOM 22 N LYS A 2 3.190 -4.868 -7.644 1.00 0.00 N ATOM 23 CA LYS A 2 3.614 -5.430 -6.368 1.00 0.00 C ATOM 24 C LYS A 2 4.020 -4.319 -5.413 1.00 0.00 C ATOM 25 O LYS A 2 4.431 -3.239 -5.841 1.00 0.00 O ATOM 26 CB LYS A 2 4.788 -6.390 -6.572 1.00 0.00 C ATOM 27 CG LYS A 2 6.055 -5.595 -6.894 1.00 0.00 C ATOM 28 CD LYS A 2 6.716 -6.171 -8.148 1.00 0.00 C ATOM 29 CE LYS A 2 5.950 -5.710 -9.389 1.00 0.00 C ATOM 30 NZ LYS A 2 6.502 -6.391 -10.594 1.00 0.00 N ATOM 0 H LYS A 2 3.544 -3.931 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 2 2.777 -5.981 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.941 -6.988 -5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.566 -7.084 -7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.808 -4.545 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.747 -5.638 -6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.754 -5.844 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.727 -7.260 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.890 -5.940 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.032 -4.629 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.982 -6.078 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.508 -6.150 -10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.402 -7.421 -10.487 1.00 0.00 H new ATOM 44 N CYS A 3 3.893 -4.582 -4.120 1.00 0.00 N ATOM 45 CA CYS A 3 4.241 -3.583 -3.118 1.00 0.00 C ATOM 46 C CYS A 3 4.532 -4.233 -1.771 1.00 0.00 C ATOM 47 O CYS A 3 4.791 -5.433 -1.688 1.00 0.00 O ATOM 48 CB CYS A 3 3.089 -2.591 -2.972 1.00 0.00 C ATOM 49 SG CYS A 3 2.634 -1.965 -4.608 1.00 0.00 S ATOM 0 H CYS A 3 3.556 -5.468 -3.743 1.00 0.00 H new ATOM 0 HA CYS A 3 5.141 -3.064 -3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.233 -3.076 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.383 -1.766 -2.323 1.00 0.00 H new ATOM 54 N TYR A 4 4.489 -3.424 -0.717 1.00 0.00 N ATOM 55 CA TYR A 4 4.751 -3.914 0.629 1.00 0.00 C ATOM 56 C TYR A 4 3.468 -4.418 1.272 1.00 0.00 C ATOM 57 O TYR A 4 2.737 -3.660 1.910 1.00 0.00 O ATOM 58 CB TYR A 4 5.349 -2.795 1.478 1.00 0.00 C ATOM 59 CG TYR A 4 6.812 -2.655 1.149 1.00 0.00 C ATOM 60 CD1 TYR A 4 7.714 -3.648 1.546 1.00 0.00 C ATOM 61 CD2 TYR A 4 7.267 -1.535 0.443 1.00 0.00 C ATOM 62 CE1 TYR A 4 9.071 -3.522 1.240 1.00 0.00 C ATOM 63 CE2 TYR A 4 8.626 -1.408 0.136 1.00 0.00 C ATOM 64 CZ TYR A 4 9.530 -2.403 0.534 1.00 0.00 C ATOM 65 OH TYR A 4 10.870 -2.277 0.233 1.00 0.00 O ATOM 0 H TYR A 4 4.275 -2.428 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 4 5.459 -4.741 0.568 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.829 -1.857 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 4 5.221 -3.018 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.361 -4.512 2.089 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.570 -0.770 0.136 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.767 -4.288 1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.979 -0.544 -0.407 1.00 0.00 H new ATOM 0 HH TYR A 4 11.267 -3.167 0.129 1.00 0.00 H new ATOM 75 N GLN A 5 3.204 -5.703 1.094 1.00 0.00 N ATOM 76 CA GLN A 5 2.005 -6.315 1.655 1.00 0.00 C ATOM 77 C GLN A 5 2.291 -6.892 3.038 1.00 0.00 C ATOM 78 O GLN A 5 1.454 -6.817 3.938 1.00 0.00 O ATOM 79 CB GLN A 5 1.507 -7.426 0.731 1.00 0.00 C ATOM 80 CG GLN A 5 0.019 -7.675 0.986 1.00 0.00 C ATOM 81 CD GLN A 5 -0.285 -9.165 0.896 1.00 0.00 C ATOM 82 OE1 GLN A 5 0.578 -9.996 1.182 1.00 0.00 O ATOM 83 NE2 GLN A 5 -1.469 -9.555 0.511 1.00 0.00 N ATOM 0 H GLN A 5 3.800 -6.342 0.568 1.00 0.00 H new ATOM 0 HA GLN A 5 1.238 -5.546 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.666 -7.146 -0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.074 -8.340 0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.257 -7.298 1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.579 -7.129 0.257 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.182 -8.864 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.682 -10.550 0.446 1.00 0.00 H new ATOM 92 N HIS A 6 3.477 -7.469 3.199 1.00 0.00 N ATOM 93 CA HIS A 6 3.860 -8.056 4.478 1.00 0.00 C ATOM 94 C HIS A 6 5.242 -7.567 4.897 1.00 0.00 C ATOM 95 O HIS A 6 6.091 -8.355 5.313 1.00 0.00 O ATOM 96 CB HIS A 6 3.869 -9.582 4.372 1.00 0.00 C ATOM 97 CG HIS A 6 2.472 -10.107 4.558 1.00 0.00 C ATOM 98 ND1 HIS A 6 1.650 -10.414 3.486 1.00 0.00 N ATOM 99 CD2 HIS A 6 1.738 -10.385 5.685 1.00 0.00 C ATOM 100 CE1 HIS A 6 0.481 -10.856 3.984 1.00 0.00 C ATOM 101 NE2 HIS A 6 0.481 -10.858 5.320 1.00 0.00 N ATOM 0 H HIS A 6 4.184 -7.543 2.467 1.00 0.00 H new ATOM 0 HA HIS A 6 3.133 -7.749 5.230 1.00 0.00 H new ATOM 0 HB2 HIS A 6 4.257 -9.887 3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 6 4.531 -10.006 5.127 1.00 0.00 H new ATOM 0 HD1 HIS A 6 1.888 -10.322 2.498 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.084 -10.256 6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.355 -11.171 3.378 1.00 0.00 H new ATOM 109 N GLY A 7 5.462 -6.262 4.779 1.00 0.00 N ATOM 110 CA GLY A 7 6.747 -5.679 5.144 1.00 0.00 C ATOM 111 C GLY A 7 7.798 -5.989 4.085 1.00 0.00 C ATOM 112 O GLY A 7 8.958 -5.599 4.212 1.00 0.00 O ATOM 0 H GLY A 7 4.773 -5.593 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.644 -4.600 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.069 -6.071 6.109 1.00 0.00 H new ATOM 116 N LYS A 8 7.380 -6.696 3.039 1.00 0.00 N ATOM 117 CA LYS A 8 8.289 -7.058 1.960 1.00 0.00 C ATOM 118 C LYS A 8 7.624 -6.839 0.605 1.00 0.00 C ATOM 119 O LYS A 8 6.423 -7.061 0.450 1.00 0.00 O ATOM 120 CB LYS A 8 8.705 -8.524 2.097 1.00 0.00 C ATOM 121 CG LYS A 8 8.558 -8.963 3.555 1.00 0.00 C ATOM 122 CD LYS A 8 9.343 -10.258 3.778 1.00 0.00 C ATOM 123 CE LYS A 8 8.878 -11.315 2.774 1.00 0.00 C ATOM 124 NZ LYS A 8 9.722 -11.241 1.548 1.00 0.00 N ATOM 0 H LYS A 8 6.423 -7.027 2.917 1.00 0.00 H new ATOM 0 HA LYS A 8 9.173 -6.423 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.087 -9.150 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.737 -8.652 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.927 -8.182 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.506 -9.116 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.411 -10.074 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.192 -10.617 4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.948 -12.308 3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.831 -11.153 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.143 -10.916 0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.503 -10.573 1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.109 -12.183 1.336 1.00 0.00 H new ATOM 138 N VAL A 9 8.410 -6.402 -0.371 1.00 0.00 N ATOM 139 CA VAL A 9 7.888 -6.155 -1.711 1.00 0.00 C ATOM 140 C VAL A 9 7.383 -7.449 -2.338 1.00 0.00 C ATOM 141 O VAL A 9 8.166 -8.253 -2.842 1.00 0.00 O ATOM 142 CB VAL A 9 8.983 -5.556 -2.593 1.00 0.00 C ATOM 143 CG1 VAL A 9 8.414 -5.247 -3.978 1.00 0.00 C ATOM 144 CG2 VAL A 9 9.501 -4.265 -1.958 1.00 0.00 C ATOM 0 H VAL A 9 9.406 -6.212 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 9 7.057 -5.454 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 9 9.801 -6.270 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.196 -4.820 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.045 -6.166 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.595 -4.534 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.282 -3.838 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.682 -3.552 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.909 -4.483 -0.971 1.00 0.00 H new ATOM 154 N VAL A 10 6.069 -7.645 -2.302 1.00 0.00 N ATOM 155 CA VAL A 10 5.473 -8.849 -2.872 1.00 0.00 C ATOM 156 C VAL A 10 4.203 -8.506 -3.644 1.00 0.00 C ATOM 157 O VAL A 10 3.586 -7.467 -3.410 1.00 0.00 O ATOM 158 CB VAL A 10 5.139 -9.845 -1.761 1.00 0.00 C ATOM 159 CG1 VAL A 10 6.433 -10.361 -1.128 1.00 0.00 C ATOM 160 CG2 VAL A 10 4.294 -9.149 -0.693 1.00 0.00 C ATOM 0 H VAL A 10 5.402 -6.993 -1.889 1.00 0.00 H new ATOM 0 HA VAL A 10 6.194 -9.296 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 10 4.582 -10.683 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.193 -11.071 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.038 -10.856 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.991 -9.524 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.055 -9.857 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.853 -8.312 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.371 -8.781 -1.142 1.00 0.00 H new ATOM 170 N THR A 11 3.819 -9.386 -4.562 1.00 0.00 N ATOM 171 CA THR A 11 2.619 -9.168 -5.361 1.00 0.00 C ATOM 172 C THR A 11 1.367 -9.392 -4.519 1.00 0.00 C ATOM 173 O THR A 11 1.208 -10.441 -3.893 1.00 0.00 O ATOM 174 CB THR A 11 2.606 -10.121 -6.559 1.00 0.00 C ATOM 175 OG1 THR A 11 3.748 -9.878 -7.369 1.00 0.00 O ATOM 176 CG2 THR A 11 1.337 -9.890 -7.382 1.00 0.00 C ATOM 0 H THR A 11 4.317 -10.251 -4.770 1.00 0.00 H new ATOM 0 HA THR A 11 2.626 -8.138 -5.717 1.00 0.00 H new ATOM 0 HB THR A 11 2.625 -11.151 -6.204 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.741 -10.489 -8.135 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.328 -10.569 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.461 -10.077 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.317 -8.860 -7.738 1.00 0.00 H new ATOM 184 N CYS A 12 0.480 -8.403 -4.508 1.00 0.00 N ATOM 185 CA CYS A 12 -0.754 -8.507 -3.739 1.00 0.00 C ATOM 186 C CYS A 12 -1.727 -9.467 -4.417 1.00 0.00 C ATOM 187 O CYS A 12 -1.389 -10.107 -5.414 1.00 0.00 O ATOM 188 CB CYS A 12 -1.403 -7.129 -3.606 1.00 0.00 C ATOM 189 SG CYS A 12 -0.173 -5.941 -3.012 1.00 0.00 S ATOM 0 H CYS A 12 0.591 -7.527 -5.019 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.513 -8.892 -2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.800 -6.807 -4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.244 -7.176 -2.914 1.00 0.00 H new ATOM 194 N HIS A 13 -2.935 -9.564 -3.870 1.00 0.00 N ATOM 195 CA HIS A 13 -3.947 -10.449 -4.433 1.00 0.00 C ATOM 196 C HIS A 13 -4.388 -9.954 -5.804 1.00 0.00 C ATOM 197 O HIS A 13 -4.138 -8.805 -6.170 1.00 0.00 O ATOM 198 CB HIS A 13 -5.159 -10.520 -3.501 1.00 0.00 C ATOM 199 CG HIS A 13 -5.849 -11.846 -3.674 1.00 0.00 C ATOM 200 ND1 HIS A 13 -5.276 -12.892 -4.382 1.00 0.00 N ATOM 201 CD2 HIS A 13 -7.065 -12.310 -3.238 1.00 0.00 C ATOM 202 CE1 HIS A 13 -6.140 -13.924 -4.351 1.00 0.00 C ATOM 203 NE2 HIS A 13 -7.247 -13.623 -3.666 1.00 0.00 N ATOM 0 H HIS A 13 -3.235 -9.045 -3.045 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.513 -11.443 -4.540 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.842 -10.395 -2.465 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.850 -9.707 -3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.773 -11.743 -2.652 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.960 -14.879 -4.822 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -8.052 -14.225 -3.494 1.00 0.00 H new ATOM 211 N ARG A 14 -5.043 -10.826 -6.562 1.00 0.00 N ATOM 212 CA ARG A 14 -5.513 -10.463 -7.893 1.00 0.00 C ATOM 213 C ARG A 14 -6.579 -9.376 -7.807 1.00 0.00 C ATOM 214 O ARG A 14 -6.702 -8.543 -8.704 1.00 0.00 O ATOM 215 CB ARG A 14 -6.094 -11.693 -8.595 1.00 0.00 C ATOM 216 CG ARG A 14 -5.732 -11.655 -10.082 1.00 0.00 C ATOM 217 CD ARG A 14 -6.049 -13.009 -10.718 1.00 0.00 C ATOM 218 NE ARG A 14 -7.492 -13.203 -10.808 1.00 0.00 N ATOM 219 CZ ARG A 14 -8.012 -14.414 -10.985 1.00 0.00 C ATOM 220 NH1 ARG A 14 -7.227 -15.452 -11.079 1.00 0.00 N ATOM 221 NH2 ARG A 14 -9.305 -14.566 -11.062 1.00 0.00 N ATOM 0 H ARG A 14 -5.259 -11.782 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.667 -10.083 -8.465 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.704 -12.603 -8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.177 -11.715 -8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.292 -10.866 -10.584 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.674 -11.423 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.606 -13.064 -11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.604 -13.809 -10.126 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.112 -12.397 -10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.216 -15.334 -11.017 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.625 -16.381 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.919 -13.755 -10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.702 -15.496 -11.198 1.00 0.00 H new ATOM 235 N ASP A 15 -7.349 -9.395 -6.723 1.00 0.00 N ATOM 236 CA ASP A 15 -8.405 -8.407 -6.533 1.00 0.00 C ATOM 237 C ASP A 15 -7.815 -7.018 -6.307 1.00 0.00 C ATOM 238 O ASP A 15 -8.366 -6.018 -6.767 1.00 0.00 O ATOM 239 CB ASP A 15 -9.275 -8.797 -5.335 1.00 0.00 C ATOM 240 CG ASP A 15 -10.339 -9.803 -5.765 1.00 0.00 C ATOM 241 OD1 ASP A 15 -10.014 -10.679 -6.551 1.00 0.00 O ATOM 242 OD2 ASP A 15 -11.460 -9.685 -5.301 1.00 0.00 O ATOM 0 H ASP A 15 -7.263 -10.077 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.016 -8.382 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.654 -9.227 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.750 -7.910 -4.917 1.00 0.00 H new ATOM 247 N MET A 16 -6.695 -6.961 -5.592 1.00 0.00 N ATOM 248 CA MET A 16 -6.043 -5.691 -5.309 1.00 0.00 C ATOM 249 C MET A 16 -5.380 -5.130 -6.564 1.00 0.00 C ATOM 250 O MET A 16 -4.647 -5.832 -7.258 1.00 0.00 O ATOM 251 CB MET A 16 -4.991 -5.889 -4.218 1.00 0.00 C ATOM 252 CG MET A 16 -5.672 -6.366 -2.934 1.00 0.00 C ATOM 253 SD MET A 16 -4.754 -7.765 -2.246 1.00 0.00 S ATOM 254 CE MET A 16 -6.049 -8.357 -1.130 1.00 0.00 C ATOM 0 H MET A 16 -6.224 -7.776 -5.201 1.00 0.00 H new ATOM 0 HA MET A 16 -6.798 -4.981 -4.970 1.00 0.00 H new ATOM 0 HB2 MET A 16 -4.249 -6.619 -4.542 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.460 -4.954 -4.035 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.714 -5.553 -2.209 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.701 -6.660 -3.143 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.712 -9.265 -0.631 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.265 -7.592 -0.384 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.952 -8.571 -1.702 1.00 0.00 H new ATOM 264 N LYS A 17 -5.642 -3.857 -6.846 1.00 0.00 N ATOM 265 CA LYS A 17 -5.063 -3.209 -8.017 1.00 0.00 C ATOM 266 C LYS A 17 -4.350 -1.920 -7.621 1.00 0.00 C ATOM 267 O LYS A 17 -3.672 -1.298 -8.438 1.00 0.00 O ATOM 268 CB LYS A 17 -6.161 -2.893 -9.036 1.00 0.00 C ATOM 269 CG LYS A 17 -6.385 -4.106 -9.941 1.00 0.00 C ATOM 270 CD LYS A 17 -7.571 -3.838 -10.870 1.00 0.00 C ATOM 271 CE LYS A 17 -8.835 -4.453 -10.269 1.00 0.00 C ATOM 272 NZ LYS A 17 -8.728 -5.940 -10.302 1.00 0.00 N ATOM 0 H LYS A 17 -6.247 -3.258 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.338 -3.890 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.086 -2.635 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.878 -2.027 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.488 -4.306 -10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.576 -4.993 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.705 -2.765 -11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.379 -4.263 -11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.967 -4.110 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.712 -4.128 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.674 -6.353 -10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.118 -6.227 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.317 -6.278 -9.408 1.00 0.00 H new ATOM 286 N PHE A 18 -4.514 -1.521 -6.363 1.00 0.00 N ATOM 287 CA PHE A 18 -3.887 -0.301 -5.872 1.00 0.00 C ATOM 288 C PHE A 18 -3.129 -0.561 -4.575 1.00 0.00 C ATOM 289 O PHE A 18 -3.619 -1.256 -3.685 1.00 0.00 O ATOM 290 CB PHE A 18 -4.957 0.765 -5.628 1.00 0.00 C ATOM 291 CG PHE A 18 -5.832 0.901 -6.854 1.00 0.00 C ATOM 292 CD1 PHE A 18 -5.256 1.094 -8.117 1.00 0.00 C ATOM 293 CD2 PHE A 18 -7.224 0.833 -6.725 1.00 0.00 C ATOM 294 CE1 PHE A 18 -6.072 1.218 -9.247 1.00 0.00 C ATOM 295 CE2 PHE A 18 -8.040 0.956 -7.856 1.00 0.00 C ATOM 296 CZ PHE A 18 -7.464 1.148 -9.117 1.00 0.00 C ATOM 0 H PHE A 18 -5.072 -2.021 -5.671 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.180 0.047 -6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.564 0.493 -4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.486 1.721 -5.398 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.182 1.147 -8.218 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.669 0.686 -5.752 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.628 1.368 -10.220 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.114 0.903 -7.755 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.093 1.242 -9.990 1.00 0.00 H new ATOM 306 N CYS A 19 -1.938 0.022 -4.469 1.00 0.00 N ATOM 307 CA CYS A 19 -1.124 -0.128 -3.272 1.00 0.00 C ATOM 308 C CYS A 19 -1.317 1.088 -2.382 1.00 0.00 C ATOM 309 O CYS A 19 -1.561 2.186 -2.879 1.00 0.00 O ATOM 310 CB CYS A 19 0.355 -0.256 -3.645 1.00 0.00 C ATOM 311 SG CYS A 19 0.624 -1.804 -4.537 1.00 0.00 S ATOM 0 H CYS A 19 -1.518 0.601 -5.197 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.432 -1.030 -2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.659 0.589 -4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.971 -0.231 -2.746 1.00 0.00 H new ATOM 316 N TYR A 20 -1.216 0.901 -1.074 1.00 0.00 N ATOM 317 CA TYR A 20 -1.397 2.019 -0.164 1.00 0.00 C ATOM 318 C TYR A 20 -0.371 1.994 0.961 1.00 0.00 C ATOM 319 O TYR A 20 0.074 0.933 1.397 1.00 0.00 O ATOM 320 CB TYR A 20 -2.807 1.992 0.424 1.00 0.00 C ATOM 321 CG TYR A 20 -2.908 0.905 1.469 1.00 0.00 C ATOM 322 CD1 TYR A 20 -2.597 1.186 2.804 1.00 0.00 C ATOM 323 CD2 TYR A 20 -3.317 -0.383 1.101 1.00 0.00 C ATOM 324 CE1 TYR A 20 -2.694 0.178 3.772 1.00 0.00 C ATOM 325 CE2 TYR A 20 -3.414 -1.389 2.068 1.00 0.00 C ATOM 326 CZ TYR A 20 -3.102 -1.109 3.404 1.00 0.00 C ATOM 327 OH TYR A 20 -3.198 -2.102 4.358 1.00 0.00 O ATOM 0 H TYR A 20 -1.014 0.006 -0.628 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.255 2.938 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.044 2.959 0.868 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.537 1.817 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.282 2.179 3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.557 -0.599 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.454 0.394 4.803 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.730 -2.382 1.784 1.00 0.00 H new ATOM 0 HH TYR A 20 -3.496 -2.934 3.935 1.00 0.00 H new ATOM 337 N HIS A 21 -0.015 3.184 1.428 1.00 0.00 N ATOM 338 CA HIS A 21 0.949 3.323 2.514 1.00 0.00 C ATOM 339 C HIS A 21 0.342 4.166 3.626 1.00 0.00 C ATOM 340 O HIS A 21 -0.037 5.317 3.405 1.00 0.00 O ATOM 341 CB HIS A 21 2.228 3.989 2.002 1.00 0.00 C ATOM 342 CG HIS A 21 3.341 3.768 2.989 1.00 0.00 C ATOM 343 ND1 HIS A 21 4.587 3.301 2.604 1.00 0.00 N ATOM 344 CD2 HIS A 21 3.413 3.950 4.348 1.00 0.00 C ATOM 345 CE1 HIS A 21 5.349 3.218 3.709 1.00 0.00 C ATOM 346 NE2 HIS A 21 4.681 3.602 4.801 1.00 0.00 N ATOM 0 H HIS A 21 -0.379 4.068 1.072 1.00 0.00 H new ATOM 0 HA HIS A 21 1.197 2.334 2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.502 3.576 1.031 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.062 5.057 1.859 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.607 4.309 4.971 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.375 2.882 3.713 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.027 3.633 5.760 1.00 0.00 H new ATOM 354 N ASN A 22 0.234 3.588 4.814 1.00 0.00 N ATOM 355 CA ASN A 22 -0.350 4.305 5.938 1.00 0.00 C ATOM 356 C ASN A 22 0.712 4.689 6.961 1.00 0.00 C ATOM 357 O ASN A 22 1.490 3.848 7.412 1.00 0.00 O ATOM 358 CB ASN A 22 -1.414 3.437 6.607 1.00 0.00 C ATOM 359 CG ASN A 22 -2.108 4.224 7.713 1.00 0.00 C ATOM 360 OD1 ASN A 22 -3.055 4.964 7.448 1.00 0.00 O ATOM 361 ND2 ASN A 22 -1.688 4.110 8.942 1.00 0.00 N ATOM 0 H ASN A 22 0.539 2.637 5.023 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.804 5.220 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.145 3.110 5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.955 2.539 7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.145 4.635 9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.903 3.496 9.158 1.00 0.00 H new ATOM 368 N THR A 23 0.728 5.965 7.330 1.00 0.00 N ATOM 369 CA THR A 23 1.689 6.457 8.312 1.00 0.00 C ATOM 370 C THR A 23 0.981 6.813 9.614 1.00 0.00 C ATOM 371 O THR A 23 1.621 7.004 10.648 1.00 0.00 O ATOM 372 CB THR A 23 2.416 7.690 7.767 1.00 0.00 C ATOM 373 OG1 THR A 23 3.291 8.198 8.765 1.00 0.00 O ATOM 374 CG2 THR A 23 1.395 8.762 7.387 1.00 0.00 C ATOM 0 H THR A 23 0.091 6.674 6.967 1.00 0.00 H new ATOM 0 HA THR A 23 2.417 5.670 8.508 1.00 0.00 H new ATOM 0 HB THR A 23 2.991 7.413 6.884 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.049 7.819 9.636 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.915 9.638 7.000 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.724 8.371 6.622 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.817 9.043 8.268 1.00 0.00 H new ATOM 382 N GLY A 24 -0.345 6.896 9.556 1.00 0.00 N ATOM 383 CA GLY A 24 -1.133 7.227 10.738 1.00 0.00 C ATOM 384 C GLY A 24 -1.453 5.972 11.544 1.00 0.00 C ATOM 385 O GLY A 24 -0.652 5.039 11.603 1.00 0.00 O ATOM 0 H GLY A 24 -0.893 6.740 8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.584 7.934 11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.059 7.718 10.438 1.00 0.00 H new ATOM 389 N MET A 25 -2.630 5.953 12.161 1.00 0.00 N ATOM 390 CA MET A 25 -3.045 4.804 12.958 1.00 0.00 C ATOM 391 C MET A 25 -1.849 4.189 13.680 1.00 0.00 C ATOM 392 O MET A 25 -1.465 3.051 13.409 1.00 0.00 O ATOM 393 CB MET A 25 -3.694 3.752 12.058 1.00 0.00 C ATOM 394 CG MET A 25 -5.075 4.240 11.616 1.00 0.00 C ATOM 395 SD MET A 25 -6.059 2.831 11.048 1.00 0.00 S ATOM 396 CE MET A 25 -7.048 2.627 12.550 1.00 0.00 C ATOM 0 H MET A 25 -3.309 6.714 12.125 1.00 0.00 H new ATOM 0 HA MET A 25 -3.767 5.144 13.701 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.066 3.566 11.187 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.785 2.807 12.593 1.00 0.00 H new ATOM 0 HG2 MET A 25 -5.579 4.739 12.444 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.975 4.973 10.816 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.739 1.794 12.420 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.389 2.423 13.394 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.612 3.540 12.741 1.00 0.00 H new ATOM 406 N PRO A 26 -1.260 4.920 14.587 1.00 0.00 N ATOM 407 CA PRO A 26 -0.079 4.444 15.367 1.00 0.00 C ATOM 408 C PRO A 26 -0.434 3.291 16.302 1.00 0.00 C ATOM 409 O PRO A 26 -0.301 3.405 17.520 1.00 0.00 O ATOM 410 CB PRO A 26 0.362 5.676 16.163 1.00 0.00 C ATOM 411 CG PRO A 26 -0.833 6.571 16.219 1.00 0.00 C ATOM 412 CD PRO A 26 -1.657 6.283 14.966 1.00 0.00 C ATOM 0 HA PRO A 26 0.704 4.053 14.718 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.690 5.398 17.165 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.202 6.174 15.679 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.418 6.380 17.119 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.531 7.618 16.251 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.726 6.346 15.168 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.440 6.998 14.172 1.00 0.00 H new ATOM 420 N PHE A 27 -0.882 2.181 15.725 1.00 0.00 N ATOM 421 CA PHE A 27 -1.249 1.014 16.520 1.00 0.00 C ATOM 422 C PHE A 27 -0.005 0.237 16.936 1.00 0.00 C ATOM 423 O PHE A 27 -0.067 -0.636 17.801 1.00 0.00 O ATOM 424 CB PHE A 27 -2.177 0.100 15.719 1.00 0.00 C ATOM 425 CG PHE A 27 -2.604 -1.061 16.585 1.00 0.00 C ATOM 426 CD1 PHE A 27 -3.618 -0.890 17.535 1.00 0.00 C ATOM 427 CD2 PHE A 27 -1.982 -2.309 16.441 1.00 0.00 C ATOM 428 CE1 PHE A 27 -4.011 -1.964 18.340 1.00 0.00 C ATOM 429 CE2 PHE A 27 -2.375 -3.383 17.248 1.00 0.00 C ATOM 430 CZ PHE A 27 -3.390 -3.211 18.197 1.00 0.00 C ATOM 0 H PHE A 27 -0.999 2.065 14.718 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.767 1.360 17.415 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.051 0.657 15.380 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.666 -0.265 14.828 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.097 0.072 17.646 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.200 -2.442 15.708 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.794 -1.832 19.072 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.895 -4.344 17.139 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.694 -4.040 18.819 1.00 0.00 H new ATOM 440 N ARG A 28 1.125 0.562 16.314 1.00 0.00 N ATOM 441 CA ARG A 28 2.378 -0.113 16.628 1.00 0.00 C ATOM 442 C ARG A 28 3.246 0.762 17.527 1.00 0.00 C ATOM 443 O ARG A 28 2.839 1.852 17.928 1.00 0.00 O ATOM 444 CB ARG A 28 3.137 -0.433 15.338 1.00 0.00 C ATOM 445 CG ARG A 28 3.020 -1.927 15.032 1.00 0.00 C ATOM 446 CD ARG A 28 3.468 -2.191 13.593 1.00 0.00 C ATOM 447 NE ARG A 28 4.924 -2.224 13.516 1.00 0.00 N ATOM 448 CZ ARG A 28 5.619 -3.215 14.066 1.00 0.00 C ATOM 449 NH1 ARG A 28 4.998 -4.182 14.686 1.00 0.00 N ATOM 450 NH2 ARG A 28 6.921 -3.222 13.985 1.00 0.00 N ATOM 0 H ARG A 28 1.198 1.283 15.596 1.00 0.00 H new ATOM 0 HA ARG A 28 2.148 -1.040 17.153 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.732 0.151 14.511 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.185 -0.154 15.442 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.635 -2.500 15.726 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.991 -2.258 15.170 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.057 -3.138 13.245 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.079 -1.414 12.935 1.00 0.00 H new ATOM 0 HE ARG A 28 5.418 -1.474 13.032 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.980 -4.177 14.748 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.531 -4.942 15.108 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.406 -2.467 13.500 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.454 -3.982 14.407 1.00 0.00 H new ATOM 464 N ASN A 29 4.443 0.277 17.841 1.00 0.00 N ATOM 465 CA ASN A 29 5.358 1.025 18.694 1.00 0.00 C ATOM 466 C ASN A 29 6.693 1.246 17.987 1.00 0.00 C ATOM 467 O ASN A 29 7.498 2.075 18.408 1.00 0.00 O ATOM 468 CB ASN A 29 5.590 0.267 20.002 1.00 0.00 C ATOM 469 CG ASN A 29 5.648 1.247 21.169 1.00 0.00 C ATOM 470 OD1 ASN A 29 6.665 1.333 21.858 1.00 0.00 O ATOM 471 ND2 ASN A 29 4.612 1.995 21.435 1.00 0.00 N ATOM 0 H ASN A 29 4.800 -0.623 17.520 1.00 0.00 H new ATOM 0 HA ASN A 29 4.911 1.995 18.911 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.788 -0.454 20.161 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.520 -0.298 19.944 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.644 2.652 22.215 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.770 1.923 20.863 1.00 0.00 H new ATOM 478 N LEU A 30 6.919 0.501 16.909 1.00 0.00 N ATOM 479 CA LEU A 30 8.159 0.629 16.152 1.00 0.00 C ATOM 480 C LEU A 30 7.923 0.319 14.676 1.00 0.00 C ATOM 481 O LEU A 30 6.997 -0.413 14.326 1.00 0.00 O ATOM 482 CB LEU A 30 9.219 -0.322 16.714 1.00 0.00 C ATOM 483 CG LEU A 30 10.574 0.000 16.085 1.00 0.00 C ATOM 484 CD1 LEU A 30 11.039 1.381 16.551 1.00 0.00 C ATOM 485 CD2 LEU A 30 11.598 -1.053 16.514 1.00 0.00 C ATOM 0 H LEU A 30 6.266 -0.192 16.543 1.00 0.00 H new ATOM 0 HA LEU A 30 8.511 1.657 16.243 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.276 -0.221 17.798 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.944 -1.356 16.504 1.00 0.00 H new ATOM 0 HG LEU A 30 10.480 -0.004 14.999 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.005 1.610 16.102 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.310 2.132 16.247 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.133 1.386 17.637 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.565 -0.824 16.066 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.691 -1.049 17.600 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.268 -2.038 16.182 1.00 0.00 H new ATOM 497 N LYS A 31 8.767 0.882 13.815 1.00 0.00 N ATOM 498 CA LYS A 31 8.637 0.661 12.380 1.00 0.00 C ATOM 499 C LYS A 31 7.167 0.568 11.986 1.00 0.00 C ATOM 500 O LYS A 31 6.751 -0.383 11.323 1.00 0.00 O ATOM 501 CB LYS A 31 9.358 -0.627 11.977 1.00 0.00 C ATOM 502 CG LYS A 31 9.577 -0.636 10.462 1.00 0.00 C ATOM 503 CD LYS A 31 11.065 -0.438 10.161 1.00 0.00 C ATOM 504 CE LYS A 31 11.869 -1.573 10.795 1.00 0.00 C ATOM 505 NZ LYS A 31 12.942 -2.005 9.856 1.00 0.00 N ATOM 0 H LYS A 31 9.541 1.489 14.084 1.00 0.00 H new ATOM 0 HA LYS A 31 9.091 1.505 11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.315 -0.698 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.769 -1.495 12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.232 -1.580 10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.992 0.156 9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.230 -0.419 9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.401 0.522 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.307 -1.241 11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.213 -2.413 11.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.490 -2.777 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.514 -2.337 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.573 -1.202 9.657 1.00 0.00 H new ATOM 519 N LEU A 32 6.386 1.560 12.398 1.00 0.00 N ATOM 520 CA LEU A 32 4.962 1.581 12.086 1.00 0.00 C ATOM 521 C LEU A 32 4.717 1.125 10.651 1.00 0.00 C ATOM 522 O LEU A 32 4.605 1.945 9.740 1.00 0.00 O ATOM 523 CB LEU A 32 4.408 2.994 12.279 1.00 0.00 C ATOM 524 CG LEU A 32 5.425 4.017 11.770 1.00 0.00 C ATOM 525 CD1 LEU A 32 4.693 5.145 11.040 1.00 0.00 C ATOM 526 CD2 LEU A 32 6.200 4.599 12.955 1.00 0.00 C ATOM 0 H LEU A 32 6.712 2.356 12.946 1.00 0.00 H new ATOM 0 HA LEU A 32 4.451 0.895 12.761 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.466 3.103 11.741 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.195 3.171 13.333 1.00 0.00 H new ATOM 0 HG LEU A 32 6.118 3.529 11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.418 5.874 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.139 4.733 10.196 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.000 5.633 11.726 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.925 5.328 12.593 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.506 5.087 13.640 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.722 3.797 13.478 1.00 0.00 H new ATOM 538 N ILE A 33 4.633 -0.189 10.461 1.00 0.00 N ATOM 539 CA ILE A 33 4.398 -0.747 9.134 1.00 0.00 C ATOM 540 C ILE A 33 2.914 -1.048 8.940 1.00 0.00 C ATOM 541 O ILE A 33 2.414 -2.075 9.398 1.00 0.00 O ATOM 542 CB ILE A 33 5.215 -2.031 8.958 1.00 0.00 C ATOM 543 CG1 ILE A 33 4.996 -2.600 7.552 1.00 0.00 C ATOM 544 CG2 ILE A 33 4.779 -3.065 9.998 1.00 0.00 C ATOM 545 CD1 ILE A 33 5.982 -1.950 6.579 1.00 0.00 C ATOM 0 H ILE A 33 4.723 -0.882 11.204 1.00 0.00 H new ATOM 0 HA ILE A 33 4.709 -0.017 8.387 1.00 0.00 H new ATOM 0 HB ILE A 33 6.272 -1.801 9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.136 -3.681 7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.972 -2.413 7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.362 -3.977 9.871 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.944 -2.666 10.999 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.720 -3.289 9.867 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.826 -2.355 5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.821 -0.872 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.002 -2.160 6.901 1.00 0.00 H new ATOM 557 N LEU A 34 2.218 -0.144 8.261 1.00 0.00 N ATOM 558 CA LEU A 34 0.792 -0.321 8.013 1.00 0.00 C ATOM 559 C LEU A 34 0.494 -0.236 6.519 1.00 0.00 C ATOM 560 O LEU A 34 -0.637 0.034 6.115 1.00 0.00 O ATOM 561 CB LEU A 34 -0.005 0.754 8.757 1.00 0.00 C ATOM 562 CG LEU A 34 0.068 0.497 10.264 1.00 0.00 C ATOM 563 CD1 LEU A 34 1.181 1.352 10.873 1.00 0.00 C ATOM 564 CD2 LEU A 34 -1.269 0.870 10.911 1.00 0.00 C ATOM 0 H LEU A 34 2.614 0.713 7.875 1.00 0.00 H new ATOM 0 HA LEU A 34 0.498 -1.306 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.394 1.742 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.044 0.745 8.426 1.00 0.00 H new ATOM 0 HG LEU A 34 0.278 -0.558 10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.234 1.170 11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.134 1.090 10.413 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.969 2.406 10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.217 0.687 11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.478 1.925 10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.065 0.264 10.478 1.00 0.00 H new ATOM 576 N GLN A 35 1.519 -0.469 5.706 1.00 0.00 N ATOM 577 CA GLN A 35 1.361 -0.414 4.256 1.00 0.00 C ATOM 578 C GLN A 35 0.858 -1.748 3.714 1.00 0.00 C ATOM 579 O GLN A 35 1.310 -2.814 4.136 1.00 0.00 O ATOM 580 CB GLN A 35 2.698 -0.067 3.602 1.00 0.00 C ATOM 581 CG GLN A 35 3.842 -0.684 4.408 1.00 0.00 C ATOM 582 CD GLN A 35 4.325 0.303 5.465 1.00 0.00 C ATOM 583 OE1 GLN A 35 3.679 0.470 6.500 1.00 0.00 O ATOM 584 NE2 GLN A 35 5.428 0.971 5.265 1.00 0.00 N ATOM 0 H GLN A 35 2.462 -0.696 6.023 1.00 0.00 H new ATOM 0 HA GLN A 35 0.627 0.356 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.720 -0.439 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.819 1.015 3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.507 -1.605 4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.664 -0.950 3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.961 0.830 4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.757 1.634 5.967 1.00 0.00 H new ATOM 593 N GLY A 36 -0.079 -1.679 2.774 1.00 0.00 N ATOM 594 CA GLY A 36 -0.642 -2.881 2.173 1.00 0.00 C ATOM 595 C GLY A 36 -1.290 -2.559 0.830 1.00 0.00 C ATOM 596 O GLY A 36 -1.008 -1.523 0.227 1.00 0.00 O ATOM 0 H GLY A 36 -0.463 -0.806 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.142 -3.626 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.382 -3.317 2.844 1.00 0.00 H new ATOM 600 N CYS A 37 -2.160 -3.450 0.368 1.00 0.00 N ATOM 601 CA CYS A 37 -2.842 -3.243 -0.905 1.00 0.00 C ATOM 602 C CYS A 37 -4.354 -3.210 -0.702 1.00 0.00 C ATOM 603 O CYS A 37 -4.857 -3.624 0.344 1.00 0.00 O ATOM 604 CB CYS A 37 -2.489 -4.366 -1.880 1.00 0.00 C ATOM 605 SG CYS A 37 -0.984 -5.200 -1.317 1.00 0.00 S ATOM 0 H CYS A 37 -2.408 -4.314 0.850 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.515 -2.288 -1.316 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.311 -5.079 -1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.341 -3.960 -2.881 1.00 0.00 H new ATOM 610 N SER A 38 -5.072 -2.720 -1.707 1.00 0.00 N ATOM 611 CA SER A 38 -6.526 -2.643 -1.626 1.00 0.00 C ATOM 612 C SER A 38 -7.127 -2.374 -3.003 1.00 0.00 C ATOM 613 O SER A 38 -6.497 -1.740 -3.851 1.00 0.00 O ATOM 614 CB SER A 38 -6.937 -1.528 -0.665 1.00 0.00 C ATOM 615 OG SER A 38 -8.356 -1.452 -0.615 1.00 0.00 O ATOM 0 H SER A 38 -4.675 -2.373 -2.580 1.00 0.00 H new ATOM 0 HA SER A 38 -6.900 -3.598 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.536 -1.723 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.521 -0.576 -0.995 1.00 0.00 H new ATOM 0 HG SER A 38 -8.624 -0.739 0.002 1.00 0.00 H new ATOM 621 N SER A 39 -8.347 -2.855 -3.217 1.00 0.00 N ATOM 622 CA SER A 39 -9.021 -2.656 -4.495 1.00 0.00 C ATOM 623 C SER A 39 -9.611 -1.251 -4.572 1.00 0.00 C ATOM 624 O SER A 39 -9.654 -0.643 -5.641 1.00 0.00 O ATOM 625 CB SER A 39 -10.134 -3.691 -4.670 1.00 0.00 C ATOM 626 OG SER A 39 -10.307 -4.407 -3.452 1.00 0.00 O ATOM 0 H SER A 39 -8.886 -3.381 -2.529 1.00 0.00 H new ATOM 0 HA SER A 39 -8.289 -2.777 -5.294 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.065 -3.197 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.883 -4.379 -5.477 1.00 0.00 H new ATOM 0 HG SER A 39 -11.021 -5.070 -3.561 1.00 0.00 H new ATOM 632 N SER A 40 -10.063 -0.741 -3.430 1.00 0.00 N ATOM 633 CA SER A 40 -10.648 0.595 -3.380 1.00 0.00 C ATOM 634 C SER A 40 -9.991 1.427 -2.281 1.00 0.00 C ATOM 635 O SER A 40 -10.645 1.840 -1.325 1.00 0.00 O ATOM 636 CB SER A 40 -12.152 0.498 -3.124 1.00 0.00 C ATOM 637 OG SER A 40 -12.383 0.373 -1.728 1.00 0.00 O ATOM 0 H SER A 40 -10.036 -1.228 -2.534 1.00 0.00 H new ATOM 0 HA SER A 40 -10.476 1.083 -4.339 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.656 1.384 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.568 -0.360 -3.651 1.00 0.00 H new ATOM 0 HG SER A 40 -12.251 1.242 -1.296 1.00 0.00 H new ATOM 643 N CYS A 41 -8.692 1.668 -2.430 1.00 0.00 N ATOM 644 CA CYS A 41 -7.944 2.453 -1.453 1.00 0.00 C ATOM 645 C CYS A 41 -8.493 3.876 -1.370 1.00 0.00 C ATOM 646 O CYS A 41 -9.030 4.400 -2.345 1.00 0.00 O ATOM 647 CB CYS A 41 -6.469 2.496 -1.855 1.00 0.00 C ATOM 648 SG CYS A 41 -5.503 3.327 -0.566 1.00 0.00 S ATOM 0 H CYS A 41 -8.136 1.332 -3.216 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.047 1.983 -0.475 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.095 1.484 -2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.356 3.023 -2.803 1.00 0.00 H new ATOM 653 N SER A 42 -8.352 4.498 -0.202 1.00 0.00 N ATOM 654 CA SER A 42 -8.837 5.861 -0.010 1.00 0.00 C ATOM 655 C SER A 42 -7.669 6.835 0.100 1.00 0.00 C ATOM 656 O SER A 42 -7.171 7.101 1.193 1.00 0.00 O ATOM 657 CB SER A 42 -9.688 5.941 1.258 1.00 0.00 C ATOM 658 OG SER A 42 -10.757 6.857 1.050 1.00 0.00 O ATOM 0 H SER A 42 -7.910 4.084 0.619 1.00 0.00 H new ATOM 0 HA SER A 42 -9.445 6.133 -0.873 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.082 4.956 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.076 6.263 2.101 1.00 0.00 H new ATOM 0 HG SER A 42 -11.305 6.909 1.860 1.00 0.00 H new ATOM 664 N GLU A 43 -7.236 7.364 -1.040 1.00 0.00 N ATOM 665 CA GLU A 43 -6.124 8.308 -1.059 1.00 0.00 C ATOM 666 C GLU A 43 -6.368 9.441 -0.068 1.00 0.00 C ATOM 667 O GLU A 43 -7.226 10.296 -0.284 1.00 0.00 O ATOM 668 CB GLU A 43 -5.953 8.886 -2.465 1.00 0.00 C ATOM 669 CG GLU A 43 -4.570 9.527 -2.591 1.00 0.00 C ATOM 670 CD GLU A 43 -4.534 10.455 -3.801 1.00 0.00 C ATOM 671 OE1 GLU A 43 -5.398 11.313 -3.889 1.00 0.00 O ATOM 672 OE2 GLU A 43 -3.647 10.293 -4.622 1.00 0.00 O ATOM 0 H GLU A 43 -7.634 7.157 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.216 7.777 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.069 8.098 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.728 9.627 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.336 10.087 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.809 8.753 -2.693 1.00 0.00 H new ATOM 679 N THR A 44 -5.607 9.438 1.020 1.00 0.00 N ATOM 680 CA THR A 44 -5.745 10.468 2.042 1.00 0.00 C ATOM 681 C THR A 44 -4.375 10.991 2.462 1.00 0.00 C ATOM 682 O THR A 44 -3.360 10.661 1.848 1.00 0.00 O ATOM 683 CB THR A 44 -6.471 9.899 3.263 1.00 0.00 C ATOM 684 OG1 THR A 44 -5.894 8.647 3.612 1.00 0.00 O ATOM 685 CG2 THR A 44 -7.952 9.705 2.937 1.00 0.00 C ATOM 0 H THR A 44 -4.892 8.738 1.217 1.00 0.00 H new ATOM 0 HA THR A 44 -6.325 11.291 1.626 1.00 0.00 H new ATOM 0 HB THR A 44 -6.374 10.592 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.145 8.453 3.010 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.466 9.300 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.394 10.664 2.668 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.053 9.012 2.101 1.00 0.00 H new ATOM 693 N GLU A 45 -4.352 11.805 3.512 1.00 0.00 N ATOM 694 CA GLU A 45 -3.099 12.362 4.005 1.00 0.00 C ATOM 695 C GLU A 45 -2.370 11.341 4.873 1.00 0.00 C ATOM 696 O GLU A 45 -1.141 11.275 4.873 1.00 0.00 O ATOM 697 CB GLU A 45 -3.371 13.628 4.822 1.00 0.00 C ATOM 698 CG GLU A 45 -3.762 14.771 3.881 1.00 0.00 C ATOM 699 CD GLU A 45 -5.200 15.201 4.154 1.00 0.00 C ATOM 700 OE1 GLU A 45 -6.088 14.388 3.958 1.00 0.00 O ATOM 701 OE2 GLU A 45 -5.391 16.337 4.554 1.00 0.00 O ATOM 0 H GLU A 45 -5.180 12.092 4.034 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.472 12.614 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.170 13.445 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.485 13.901 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.088 15.616 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.660 14.451 2.844 1.00 0.00 H new ATOM 708 N ASN A 46 -3.138 10.541 5.604 1.00 0.00 N ATOM 709 CA ASN A 46 -2.557 9.521 6.468 1.00 0.00 C ATOM 710 C ASN A 46 -2.282 8.254 5.671 1.00 0.00 C ATOM 711 O ASN A 46 -1.243 7.614 5.836 1.00 0.00 O ATOM 712 CB ASN A 46 -3.512 9.200 7.619 1.00 0.00 C ATOM 713 CG ASN A 46 -3.154 7.850 8.229 1.00 0.00 C ATOM 714 OD1 ASN A 46 -2.082 7.310 7.959 1.00 0.00 O ATOM 715 ND2 ASN A 46 -3.994 7.268 9.042 1.00 0.00 N ATOM 0 H ASN A 46 -4.157 10.578 5.616 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.620 9.902 6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.454 9.979 8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.540 9.184 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.762 6.364 9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.882 7.717 9.265 1.00 0.00 H new ATOM 722 N ASN A 47 -3.220 7.901 4.800 1.00 0.00 N ATOM 723 CA ASN A 47 -3.068 6.712 3.975 1.00 0.00 C ATOM 724 C ASN A 47 -3.115 7.079 2.497 1.00 0.00 C ATOM 725 O ASN A 47 -4.140 7.538 1.991 1.00 0.00 O ATOM 726 CB ASN A 47 -4.173 5.703 4.293 1.00 0.00 C ATOM 727 CG ASN A 47 -4.406 4.785 3.096 1.00 0.00 C ATOM 728 OD1 ASN A 47 -3.555 4.689 2.212 1.00 0.00 O ATOM 729 ND2 ASN A 47 -5.514 4.101 3.016 1.00 0.00 N ATOM 0 H ASN A 47 -4.087 8.417 4.648 1.00 0.00 H new ATOM 0 HA ASN A 47 -2.100 6.262 4.195 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.896 5.112 5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.095 6.228 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.677 3.485 2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.218 4.182 3.750 1.00 0.00 H new ATOM 736 N LYS A 48 -1.996 6.873 1.813 1.00 0.00 N ATOM 737 CA LYS A 48 -1.910 7.187 0.390 1.00 0.00 C ATOM 738 C LYS A 48 -2.180 5.945 -0.455 1.00 0.00 C ATOM 739 O LYS A 48 -2.129 4.821 0.044 1.00 0.00 O ATOM 740 CB LYS A 48 -0.519 7.735 0.062 1.00 0.00 C ATOM 741 CG LYS A 48 -0.193 8.902 0.996 1.00 0.00 C ATOM 742 CD LYS A 48 0.681 8.406 2.149 1.00 0.00 C ATOM 743 CE LYS A 48 0.651 9.426 3.288 1.00 0.00 C ATOM 744 NZ LYS A 48 2.000 9.516 3.913 1.00 0.00 N ATOM 0 H LYS A 48 -1.140 6.492 2.216 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.664 7.939 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.228 6.949 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.483 8.066 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.324 9.688 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.113 9.338 1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.321 7.440 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.705 8.259 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.349 10.402 2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.088 9.132 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.978 10.210 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.271 8.585 4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.694 9.816 3.199 1.00 0.00 H new ATOM 758 N CYS A 49 -2.461 6.157 -1.739 1.00 0.00 N ATOM 759 CA CYS A 49 -2.730 5.048 -2.650 1.00 0.00 C ATOM 760 C CYS A 49 -2.068 5.297 -4.001 1.00 0.00 C ATOM 761 O CYS A 49 -2.306 6.321 -4.640 1.00 0.00 O ATOM 762 CB CYS A 49 -4.235 4.874 -2.858 1.00 0.00 C ATOM 763 SG CYS A 49 -5.116 5.170 -1.303 1.00 0.00 S ATOM 0 H CYS A 49 -2.508 7.080 -2.170 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.320 4.142 -2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.587 5.567 -3.622 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.446 3.867 -3.219 1.00 0.00 H new ATOM 768 N CYS A 50 -1.239 4.352 -4.432 1.00 0.00 N ATOM 769 CA CYS A 50 -0.553 4.481 -5.712 1.00 0.00 C ATOM 770 C CYS A 50 -0.876 3.294 -6.613 1.00 0.00 C ATOM 771 O CYS A 50 -1.758 2.492 -6.304 1.00 0.00 O ATOM 772 CB CYS A 50 0.955 4.562 -5.485 1.00 0.00 C ATOM 773 SG CYS A 50 1.422 3.426 -4.157 1.00 0.00 S ATOM 0 H CYS A 50 -1.027 3.496 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.895 5.393 -6.200 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.487 4.306 -6.402 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.241 5.581 -5.225 1.00 0.00 H new ATOM 778 N SER A 51 -0.163 3.186 -7.730 1.00 0.00 N ATOM 779 CA SER A 51 -0.394 2.091 -8.665 1.00 0.00 C ATOM 780 C SER A 51 0.908 1.662 -9.336 1.00 0.00 C ATOM 781 O SER A 51 0.897 1.149 -10.456 1.00 0.00 O ATOM 782 CB SER A 51 -1.402 2.521 -9.733 1.00 0.00 C ATOM 783 OG SER A 51 -2.073 3.697 -9.301 1.00 0.00 O ATOM 0 H SER A 51 0.572 3.836 -8.008 1.00 0.00 H new ATOM 0 HA SER A 51 -0.792 1.244 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.891 2.707 -10.678 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.122 1.723 -9.912 1.00 0.00 H new ATOM 0 HG SER A 51 -2.718 3.975 -9.984 1.00 0.00 H new ATOM 789 N THR A 52 2.027 1.867 -8.648 1.00 0.00 N ATOM 790 CA THR A 52 3.324 1.486 -9.198 1.00 0.00 C ATOM 791 C THR A 52 4.103 0.628 -8.200 1.00 0.00 C ATOM 792 O THR A 52 3.795 0.607 -7.009 1.00 0.00 O ATOM 793 CB THR A 52 4.130 2.736 -9.560 1.00 0.00 C ATOM 794 OG1 THR A 52 3.431 3.473 -10.554 1.00 0.00 O ATOM 795 CG2 THR A 52 5.501 2.323 -10.099 1.00 0.00 C ATOM 0 H THR A 52 2.063 2.289 -7.720 1.00 0.00 H new ATOM 0 HA THR A 52 3.157 0.898 -10.100 1.00 0.00 H new ATOM 0 HB THR A 52 4.263 3.354 -8.672 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.943 4.275 -10.787 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.074 3.214 -10.356 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.035 1.755 -9.337 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.372 1.705 -10.988 1.00 0.00 H new ATOM 803 N ASP A 53 5.102 -0.090 -8.705 1.00 0.00 N ATOM 804 CA ASP A 53 5.916 -0.968 -7.865 1.00 0.00 C ATOM 805 C ASP A 53 6.625 -0.190 -6.758 1.00 0.00 C ATOM 806 O ASP A 53 7.173 0.888 -6.993 1.00 0.00 O ATOM 807 CB ASP A 53 6.956 -1.684 -8.729 1.00 0.00 C ATOM 808 CG ASP A 53 8.081 -2.226 -7.855 1.00 0.00 C ATOM 809 OD1 ASP A 53 7.848 -3.199 -7.158 1.00 0.00 O ATOM 810 OD2 ASP A 53 9.162 -1.660 -7.897 1.00 0.00 O ATOM 0 H ASP A 53 5.368 -0.082 -9.690 1.00 0.00 H new ATOM 0 HA ASP A 53 5.252 -1.694 -7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.485 -2.500 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.361 -0.995 -9.470 1.00 0.00 H new ATOM 815 N ARG A 54 6.614 -0.753 -5.551 1.00 0.00 N ATOM 816 CA ARG A 54 7.262 -0.117 -4.407 1.00 0.00 C ATOM 817 C ARG A 54 6.946 1.371 -4.380 1.00 0.00 C ATOM 818 O ARG A 54 7.826 2.203 -4.162 1.00 0.00 O ATOM 819 CB ARG A 54 8.776 -0.320 -4.478 1.00 0.00 C ATOM 820 CG ARG A 54 9.318 -0.579 -3.071 1.00 0.00 C ATOM 821 CD ARG A 54 10.819 -0.863 -3.146 1.00 0.00 C ATOM 822 NE ARG A 54 11.065 -2.094 -3.887 1.00 0.00 N ATOM 823 CZ ARG A 54 12.264 -2.362 -4.393 1.00 0.00 C ATOM 824 NH1 ARG A 54 13.243 -1.513 -4.233 1.00 0.00 N ATOM 825 NH2 ARG A 54 12.462 -3.471 -5.050 1.00 0.00 N ATOM 0 H ARG A 54 6.165 -1.645 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 54 6.882 -0.577 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.012 -1.160 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.253 0.561 -4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.132 0.285 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.799 -1.425 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.330 -0.031 -3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.231 -0.948 -2.140 1.00 0.00 H new ATOM 0 HE ARG A 54 10.304 -2.761 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.087 -0.645 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.164 -1.718 -4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.696 -4.133 -5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.383 -3.676 -5.438 1.00 0.00 H new ATOM 839 N CYS A 55 5.683 1.693 -4.607 1.00 0.00 N ATOM 840 CA CYS A 55 5.245 3.080 -4.616 1.00 0.00 C ATOM 841 C CYS A 55 4.817 3.519 -3.220 1.00 0.00 C ATOM 842 O CYS A 55 4.844 4.708 -2.899 1.00 0.00 O ATOM 843 CB CYS A 55 4.074 3.230 -5.581 1.00 0.00 C ATOM 844 SG CYS A 55 2.719 2.160 -5.042 1.00 0.00 S ATOM 0 H CYS A 55 4.943 1.014 -4.787 1.00 0.00 H new ATOM 0 HA CYS A 55 6.075 3.710 -4.937 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.743 4.268 -5.612 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.384 2.964 -6.592 1.00 0.00 H new ATOM 849 N ASN A 56 4.422 2.556 -2.397 1.00 0.00 N ATOM 850 CA ASN A 56 3.986 2.857 -1.039 1.00 0.00 C ATOM 851 C ASN A 56 4.696 4.100 -0.509 1.00 0.00 C ATOM 852 O ASN A 56 4.099 4.910 0.199 1.00 0.00 O ATOM 853 CB ASN A 56 4.271 1.666 -0.123 1.00 0.00 C ATOM 854 CG ASN A 56 5.698 1.744 0.412 1.00 0.00 C ATOM 855 OD1 ASN A 56 6.641 1.921 -0.360 1.00 0.00 O ATOM 856 ND2 ASN A 56 5.913 1.621 1.692 1.00 0.00 N ATOM 0 H ASN A 56 4.394 1.567 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 56 2.913 3.050 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.564 1.658 0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.130 0.734 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.864 1.671 2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.130 1.475 2.329 1.00 0.00 H new ATOM 863 N LYS A 57 5.972 4.246 -0.854 1.00 0.00 N ATOM 864 CA LYS A 57 6.745 5.399 -0.405 1.00 0.00 C ATOM 865 C LYS A 57 6.396 6.632 -1.231 1.00 0.00 C ATOM 866 O LYS A 57 5.249 7.047 -1.183 1.00 0.00 O ATOM 867 CB LYS A 57 8.243 5.108 -0.529 1.00 0.00 C ATOM 868 CG LYS A 57 8.504 4.306 -1.804 1.00 0.00 C ATOM 869 CD LYS A 57 10.003 4.302 -2.108 1.00 0.00 C ATOM 870 CE LYS A 57 10.280 5.183 -3.327 1.00 0.00 C ATOM 871 NZ LYS A 57 9.787 6.565 -3.063 1.00 0.00 N ATOM 872 OXT LYS A 57 7.280 7.144 -1.898 1.00 0.00 O ATOM 0 H LYS A 57 6.488 3.587 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 57 6.498 5.592 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.805 6.042 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.589 4.550 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.144 3.284 -1.683 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.954 4.741 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.560 4.670 -1.246 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.344 3.284 -2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.349 5.201 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.786 4.771 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.975 7.165 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.764 6.539 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.278 6.956 -2.234 1.00 0.00 H new TER 886 LYS A 57