USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 489 hydrogens (2 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 46 SER OG : rot -14:sc= 0.0195 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.64 K(o=-1.6,f=-6.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.99! C(o=-2!,f=-6.5!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -115:sc= -2.57 (180deg=-6.77!) USER MOD Single : A 26 MET CE :methyl -115:sc= -0.239 (180deg=-2.03!) USER MOD Single : A 27 MET CE :methyl 175:sc= 0 (180deg=-0.0204) USER MOD Single : A 28 SER OG : rot 180:sc= -0.269 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.461 K(o=0.46,f=-5.2!) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= -0.0679 (180deg=-0.89) USER MOD Single : A 55 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.28) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 60 ASN : amide:sc= -7.7! C(o=-7.7!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 7.426 11.865 -0.591 1.00 0.00 N ATOM 2 CA LEU A 1 6.341 10.901 -0.645 1.00 0.00 C ATOM 3 C LEU A 1 6.869 9.575 -1.198 1.00 0.00 C ATOM 4 O LEU A 1 6.484 9.156 -2.288 1.00 0.00 O ATOM 5 CB LEU A 1 5.158 11.468 -1.433 1.00 0.00 C ATOM 6 CG LEU A 1 5.421 11.772 -2.910 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.352 11.132 -3.799 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.537 13.279 -3.148 1.00 0.00 C ATOM 0 H1 LEU A 1 7.070 12.767 -0.216 1.00 0.00 H new ATOM 0 H2 LEU A 1 8.180 11.505 0.029 1.00 0.00 H new ATOM 0 H3 LEU A 1 7.806 12.014 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 1 5.960 10.701 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.332 10.760 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.829 12.386 -0.946 1.00 0.00 H new ATOM 0 HG LEU A 1 6.378 11.329 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.562 11.363 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.360 10.051 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.372 11.526 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 1 5.724 13.467 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.609 13.767 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.361 13.678 -2.557 1.00 0.00 H new ATOM 20 N LYS A 2 7.744 8.953 -0.421 1.00 0.00 N ATOM 21 CA LYS A 2 8.330 7.685 -0.819 1.00 0.00 C ATOM 22 C LYS A 2 7.957 6.612 0.205 1.00 0.00 C ATOM 23 O LYS A 2 7.875 6.892 1.401 1.00 0.00 O ATOM 24 CB LYS A 2 9.837 7.834 -1.033 1.00 0.00 C ATOM 25 CG LYS A 2 10.137 8.526 -2.365 1.00 0.00 C ATOM 26 CD LYS A 2 11.375 9.416 -2.255 1.00 0.00 C ATOM 27 CE LYS A 2 11.484 10.356 -3.456 1.00 0.00 C ATOM 28 NZ LYS A 2 12.367 11.501 -3.141 1.00 0.00 N ATOM 0 H LYS A 2 8.061 9.304 0.483 1.00 0.00 H new ATOM 0 HA LYS A 2 7.926 7.364 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.269 8.410 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.309 6.852 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.292 7.777 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.279 9.126 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.327 9.999 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.269 8.795 -2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.876 9.813 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.494 10.718 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.429 12.129 -3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.977 12.029 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.316 11.151 -2.899 1.00 0.00 H new ATOM 42 N CYS A 3 7.741 5.406 -0.299 1.00 0.00 N ATOM 43 CA CYS A 3 7.379 4.290 0.559 1.00 0.00 C ATOM 44 C CYS A 3 8.194 3.069 0.127 1.00 0.00 C ATOM 45 O CYS A 3 8.851 3.092 -0.913 1.00 0.00 O ATOM 46 CB CYS A 3 5.874 4.014 0.523 1.00 0.00 C ATOM 47 SG CYS A 3 4.883 5.016 1.688 1.00 0.00 S ATOM 0 H CYS A 3 7.810 5.177 -1.291 1.00 0.00 H new ATOM 0 HA CYS A 3 7.612 4.533 1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.510 4.193 -0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.707 2.959 0.740 1.00 0.00 H new ATOM 52 N ASN A 4 8.125 2.031 0.947 1.00 0.00 N ATOM 53 CA ASN A 4 8.847 0.803 0.663 1.00 0.00 C ATOM 54 C ASN A 4 8.090 0.004 -0.400 1.00 0.00 C ATOM 55 O ASN A 4 6.928 0.291 -0.686 1.00 0.00 O ATOM 56 CB ASN A 4 8.965 -0.069 1.915 1.00 0.00 C ATOM 57 CG ASN A 4 9.183 0.790 3.162 1.00 0.00 C ATOM 58 OD1 ASN A 4 9.806 1.838 3.125 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.636 0.288 4.266 1.00 0.00 N ATOM 0 H ASN A 4 7.580 2.015 1.809 1.00 0.00 H new ATOM 0 HA ASN A 4 9.844 1.072 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.061 -0.666 2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.795 -0.767 1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.726 0.786 5.152 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.127 -0.595 4.227 1.00 0.00 H new ATOM 66 N LYS A 5 8.779 -0.982 -0.956 1.00 0.00 N ATOM 67 CA LYS A 5 8.185 -1.823 -1.981 1.00 0.00 C ATOM 68 C LYS A 5 7.633 -3.095 -1.334 1.00 0.00 C ATOM 69 O LYS A 5 7.360 -3.118 -0.134 1.00 0.00 O ATOM 70 CB LYS A 5 9.190 -2.090 -3.102 1.00 0.00 C ATOM 71 CG LYS A 5 9.696 -0.780 -3.710 1.00 0.00 C ATOM 72 CD LYS A 5 9.238 -0.635 -5.161 1.00 0.00 C ATOM 73 CE LYS A 5 7.718 -0.767 -5.272 1.00 0.00 C ATOM 74 NZ LYS A 5 7.084 0.568 -5.342 1.00 0.00 N ATOM 0 H LYS A 5 9.742 -1.217 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 5 7.344 -1.314 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.031 -2.663 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.723 -2.698 -3.877 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.329 0.062 -3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.785 -0.751 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.552 0.334 -5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.719 -1.396 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.461 -1.345 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.331 -1.315 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.052 0.459 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.314 1.107 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.440 1.078 -6.176 1.00 0.00 H new ATOM 88 N LEU A 6 7.486 -4.124 -2.156 1.00 0.00 N ATOM 89 CA LEU A 6 6.972 -5.396 -1.678 1.00 0.00 C ATOM 90 C LEU A 6 7.630 -5.736 -0.340 1.00 0.00 C ATOM 91 O LEU A 6 6.982 -6.281 0.553 1.00 0.00 O ATOM 92 CB LEU A 6 7.150 -6.479 -2.744 1.00 0.00 C ATOM 93 CG LEU A 6 6.032 -7.520 -2.836 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.665 -7.802 -4.294 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.408 -8.797 -2.082 1.00 0.00 C ATOM 0 H LEU A 6 7.714 -4.102 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 6 5.899 -5.331 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.247 -5.993 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.089 -6.999 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 6 5.144 -7.111 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.868 -8.545 -4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.325 -6.881 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.540 -8.181 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.596 -9.520 -2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.315 -9.220 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.581 -8.562 -1.032 1.00 0.00 H new ATOM 107 N VAL A 7 8.908 -5.401 -0.242 1.00 0.00 N ATOM 108 CA VAL A 7 9.659 -5.665 0.974 1.00 0.00 C ATOM 109 C VAL A 7 10.476 -4.424 1.342 1.00 0.00 C ATOM 110 O VAL A 7 10.964 -3.714 0.464 1.00 0.00 O ATOM 111 CB VAL A 7 10.521 -6.916 0.795 1.00 0.00 C ATOM 112 CG1 VAL A 7 10.843 -7.558 2.146 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.844 -7.919 -0.142 1.00 0.00 C ATOM 0 H VAL A 7 9.442 -4.949 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 7 8.983 -5.868 1.805 1.00 0.00 H new ATOM 0 HB VAL A 7 11.462 -6.612 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.457 -8.445 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.386 -6.846 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.916 -7.841 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.478 -8.799 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.882 -8.215 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.690 -7.459 -1.118 1.00 0.00 H new ATOM 123 N PRO A 8 10.600 -4.201 2.642 1.00 0.00 N ATOM 124 CA PRO A 8 11.371 -3.023 3.152 1.00 0.00 C ATOM 125 C PRO A 8 12.901 -2.888 2.836 1.00 0.00 C ATOM 126 O PRO A 8 13.579 -2.025 3.391 1.00 0.00 O ATOM 127 CB PRO A 8 11.082 -3.071 4.670 1.00 0.00 C ATOM 128 CG PRO A 8 9.873 -3.994 4.837 1.00 0.00 C ATOM 129 CD PRO A 8 10.038 -5.035 3.732 1.00 0.00 C ATOM 0 HA PRO A 8 11.038 -2.133 2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.943 -3.451 5.220 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.870 -2.075 5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.861 -4.459 5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.937 -3.446 4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.710 -5.842 4.023 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.090 -5.495 3.453 1.00 0.00 H new ATOM 137 N ILE A 9 13.368 -3.756 1.951 1.00 0.00 N ATOM 138 CA ILE A 9 14.768 -3.747 1.561 1.00 0.00 C ATOM 139 C ILE A 9 14.931 -2.923 0.282 1.00 0.00 C ATOM 140 O ILE A 9 16.048 -2.720 -0.191 1.00 0.00 O ATOM 141 CB ILE A 9 15.300 -5.177 1.444 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.190 -5.530 2.639 1.00 0.00 C ATOM 143 CG2 ILE A 9 16.022 -5.386 0.111 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.347 -5.954 3.844 1.00 0.00 C ATOM 0 H ILE A 9 12.802 -4.470 1.493 1.00 0.00 H new ATOM 0 HA ILE A 9 15.375 -3.267 2.329 1.00 0.00 H new ATOM 0 HB ILE A 9 14.451 -5.860 1.461 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.870 -6.336 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.805 -4.671 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 9 16.390 -6.410 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.330 -5.203 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 9 16.861 -4.694 0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.003 -6.199 4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.685 -5.137 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 9 14.751 -6.828 3.582 1.00 0.00 H new ATOM 156 N ALA A 10 13.802 -2.473 -0.242 1.00 0.00 N ATOM 157 CA ALA A 10 13.805 -1.677 -1.458 1.00 0.00 C ATOM 158 C ALA A 10 12.571 -0.773 -1.474 1.00 0.00 C ATOM 159 O ALA A 10 11.442 -1.258 -1.461 1.00 0.00 O ATOM 160 CB ALA A 10 13.866 -2.602 -2.675 1.00 0.00 C ATOM 0 H ALA A 10 12.877 -2.644 0.153 1.00 0.00 H new ATOM 0 HA ALA A 10 14.685 -1.035 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.868 -2.004 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.776 -3.201 -2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.998 -3.261 -2.675 1.00 0.00 H new ATOM 166 N TYR A 11 12.830 0.526 -1.502 1.00 0.00 N ATOM 167 CA TYR A 11 11.754 1.503 -1.519 1.00 0.00 C ATOM 168 C TYR A 11 11.924 2.484 -2.682 1.00 0.00 C ATOM 169 O TYR A 11 13.043 2.749 -3.118 1.00 0.00 O ATOM 170 CB TYR A 11 11.860 2.272 -0.200 1.00 0.00 C ATOM 171 CG TYR A 11 13.151 3.079 -0.053 1.00 0.00 C ATOM 172 CD1 TYR A 11 14.270 2.495 0.509 1.00 0.00 C ATOM 173 CD2 TYR A 11 13.199 4.390 -0.480 1.00 0.00 C ATOM 174 CE1 TYR A 11 15.485 3.256 0.648 1.00 0.00 C ATOM 175 CE2 TYR A 11 14.414 5.150 -0.340 1.00 0.00 C ATOM 176 CZ TYR A 11 15.497 4.545 0.217 1.00 0.00 C ATOM 177 OH TYR A 11 16.645 5.263 0.348 1.00 0.00 O ATOM 0 H TYR A 11 13.769 0.925 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 11 10.789 1.009 -1.638 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.009 2.948 -0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.789 1.566 0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.234 1.469 0.844 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.325 4.847 -0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 11 16.367 2.812 1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.464 6.177 -0.670 1.00 0.00 H new ATOM 0 HH TYR A 11 16.507 6.167 -0.003 1.00 0.00 H new ATOM 187 N LYS A 12 10.796 2.997 -3.150 1.00 0.00 N ATOM 188 CA LYS A 12 10.805 3.942 -4.253 1.00 0.00 C ATOM 189 C LYS A 12 9.837 5.087 -3.947 1.00 0.00 C ATOM 190 O LYS A 12 9.384 5.234 -2.813 1.00 0.00 O ATOM 191 CB LYS A 12 10.512 3.227 -5.574 1.00 0.00 C ATOM 192 CG LYS A 12 11.646 2.269 -5.942 1.00 0.00 C ATOM 193 CD LYS A 12 12.239 2.620 -7.308 1.00 0.00 C ATOM 194 CE LYS A 12 13.765 2.712 -7.236 1.00 0.00 C ATOM 195 NZ LYS A 12 14.380 2.020 -8.391 1.00 0.00 N ATOM 0 H LYS A 12 9.869 2.776 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 12 11.795 4.383 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.576 2.674 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.380 3.962 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.425 2.313 -5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.272 1.245 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.951 1.864 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.830 3.569 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.072 3.758 -7.225 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.119 2.266 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.416 2.092 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.101 1.018 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.056 2.464 -9.274 1.00 0.00 H new ATOM 209 N THR A 13 9.549 5.868 -4.977 1.00 0.00 N ATOM 210 CA THR A 13 8.643 6.996 -4.831 1.00 0.00 C ATOM 211 C THR A 13 7.273 6.659 -5.422 1.00 0.00 C ATOM 212 O THR A 13 7.185 6.003 -6.459 1.00 0.00 O ATOM 213 CB THR A 13 9.301 8.216 -5.478 1.00 0.00 C ATOM 214 OG1 THR A 13 8.247 8.826 -6.219 1.00 0.00 O ATOM 215 CG2 THR A 13 10.331 7.833 -6.542 1.00 0.00 C ATOM 0 H THR A 13 9.926 5.743 -5.916 1.00 0.00 H new ATOM 0 HA THR A 13 8.461 7.225 -3.781 1.00 0.00 H new ATOM 0 HB THR A 13 9.783 8.818 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.586 9.627 -6.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.767 8.737 -6.968 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.117 7.231 -6.087 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.844 7.258 -7.330 1.00 0.00 H new ATOM 223 N CYS A 14 6.238 7.123 -4.738 1.00 0.00 N ATOM 224 CA CYS A 14 4.876 6.879 -5.181 1.00 0.00 C ATOM 225 C CYS A 14 4.672 7.592 -6.520 1.00 0.00 C ATOM 226 O CYS A 14 4.595 8.819 -6.567 1.00 0.00 O ATOM 227 CB CYS A 14 3.852 7.323 -4.136 1.00 0.00 C ATOM 228 SG CYS A 14 4.091 6.600 -2.471 1.00 0.00 S ATOM 0 H CYS A 14 6.315 7.667 -3.879 1.00 0.00 H new ATOM 0 HA CYS A 14 4.720 5.808 -5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.886 8.409 -4.053 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.855 7.061 -4.491 1.00 0.00 H new ATOM 233 N PRO A 15 4.591 6.793 -7.573 1.00 0.00 N ATOM 234 CA PRO A 15 4.392 7.350 -8.949 1.00 0.00 C ATOM 235 C PRO A 15 3.266 8.408 -9.215 1.00 0.00 C ATOM 236 O PRO A 15 2.438 8.671 -8.343 1.00 0.00 O ATOM 237 CB PRO A 15 4.216 6.071 -9.801 1.00 0.00 C ATOM 238 CG PRO A 15 3.874 4.955 -8.813 1.00 0.00 C ATOM 239 CD PRO A 15 4.662 5.309 -7.554 1.00 0.00 C ATOM 0 HA PRO A 15 5.243 7.987 -9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.422 6.198 -10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.128 5.840 -10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.803 4.915 -8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.163 3.978 -9.201 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.212 4.888 -6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.689 4.946 -7.596 1.00 0.00 H new ATOM 247 N GLU A 16 3.294 8.965 -10.417 1.00 0.00 N ATOM 248 CA GLU A 16 2.310 9.963 -10.802 1.00 0.00 C ATOM 249 C GLU A 16 0.898 9.383 -10.703 1.00 0.00 C ATOM 250 O GLU A 16 0.662 8.244 -11.103 1.00 0.00 O ATOM 251 CB GLU A 16 2.588 10.493 -12.209 1.00 0.00 C ATOM 252 CG GLU A 16 3.911 11.261 -12.255 1.00 0.00 C ATOM 253 CD GLU A 16 3.670 12.771 -12.238 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.666 13.192 -12.854 1.00 0.00 O ATOM 255 OE2 GLU A 16 4.494 13.471 -11.610 1.00 0.00 O ATOM 0 H GLU A 16 3.982 8.744 -11.137 1.00 0.00 H new ATOM 0 HA GLU A 16 2.385 10.803 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.621 9.663 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.773 11.146 -12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.529 10.978 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.463 10.988 -13.154 1.00 0.00 H new ATOM 262 N GLY A 17 -0.004 10.192 -10.167 1.00 0.00 N ATOM 263 CA GLY A 17 -1.387 9.772 -10.011 1.00 0.00 C ATOM 264 C GLY A 17 -1.686 9.402 -8.557 1.00 0.00 C ATOM 265 O GLY A 17 -2.804 9.598 -8.080 1.00 0.00 O ATOM 0 H GLY A 17 0.195 11.136 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.053 10.574 -10.330 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.586 8.916 -10.656 1.00 0.00 H new ATOM 269 N LYS A 18 -0.669 8.873 -7.893 1.00 0.00 N ATOM 270 CA LYS A 18 -0.810 8.473 -6.504 1.00 0.00 C ATOM 271 C LYS A 18 -0.326 9.607 -5.599 1.00 0.00 C ATOM 272 O LYS A 18 0.361 10.520 -6.057 1.00 0.00 O ATOM 273 CB LYS A 18 -0.098 7.141 -6.255 1.00 0.00 C ATOM 274 CG LYS A 18 -0.640 6.048 -7.178 1.00 0.00 C ATOM 275 CD LYS A 18 0.388 4.931 -7.366 1.00 0.00 C ATOM 276 CE LYS A 18 0.213 4.247 -8.724 1.00 0.00 C ATOM 277 NZ LYS A 18 0.306 2.777 -8.580 1.00 0.00 N ATOM 0 H LYS A 18 0.256 8.712 -8.291 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.858 8.298 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.973 7.261 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.231 6.843 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.558 5.636 -6.759 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.896 6.478 -8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.395 5.342 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.282 4.196 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.753 4.516 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.977 4.600 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.185 2.329 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.237 2.524 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.439 2.443 -7.936 1.00 0.00 H new ATOM 291 N ASN A 19 -0.703 9.514 -4.333 1.00 0.00 N ATOM 292 CA ASN A 19 -0.317 10.523 -3.360 1.00 0.00 C ATOM 293 C ASN A 19 -0.104 9.857 -2.000 1.00 0.00 C ATOM 294 O ASN A 19 0.858 10.164 -1.298 1.00 0.00 O ATOM 295 CB ASN A 19 -1.408 11.583 -3.202 1.00 0.00 C ATOM 296 CG ASN A 19 -1.147 12.460 -1.975 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.055 11.989 -0.853 1.00 0.00 O ATOM 298 ND2 ASN A 19 -1.034 13.755 -2.251 1.00 0.00 N ATOM 0 H ASN A 19 -1.272 8.755 -3.957 1.00 0.00 H new ATOM 0 HA ASN A 19 0.598 10.999 -3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.448 12.205 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.380 11.099 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.859 14.423 -1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.122 14.081 -3.214 1.00 0.00 H new ATOM 305 N LEU A 20 -1.018 8.956 -1.668 1.00 0.00 N ATOM 306 CA LEU A 20 -0.942 8.245 -0.403 1.00 0.00 C ATOM 307 C LEU A 20 -0.361 6.850 -0.641 1.00 0.00 C ATOM 308 O LEU A 20 -0.249 6.407 -1.784 1.00 0.00 O ATOM 309 CB LEU A 20 -2.308 8.232 0.287 1.00 0.00 C ATOM 310 CG LEU A 20 -3.001 9.588 0.429 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.522 9.429 0.432 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.501 10.332 1.670 1.00 0.00 C ATOM 0 H LEU A 20 -1.814 8.703 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.268 8.759 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.967 7.566 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.186 7.803 1.281 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.742 10.196 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.990 10.408 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.842 8.970 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.820 8.796 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.010 11.293 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.710 9.738 2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.427 10.496 1.588 1.00 0.00 H new ATOM 324 N CYS A 21 -0.005 6.196 0.455 1.00 0.00 N ATOM 325 CA CYS A 21 0.562 4.861 0.379 1.00 0.00 C ATOM 326 C CYS A 21 -0.516 3.856 0.792 1.00 0.00 C ATOM 327 O CYS A 21 -1.338 4.144 1.659 1.00 0.00 O ATOM 328 CB CYS A 21 1.821 4.731 1.239 1.00 0.00 C ATOM 329 SG CYS A 21 3.360 5.316 0.439 1.00 0.00 S ATOM 0 H CYS A 21 -0.098 6.566 1.401 1.00 0.00 H new ATOM 0 HA CYS A 21 0.877 4.655 -0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.673 5.291 2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.948 3.685 1.517 1.00 0.00 H new ATOM 334 N TYR A 22 -0.477 2.698 0.151 1.00 0.00 N ATOM 335 CA TYR A 22 -1.440 1.649 0.440 1.00 0.00 C ATOM 336 C TYR A 22 -0.741 0.302 0.637 1.00 0.00 C ATOM 337 O TYR A 22 0.319 0.058 0.063 1.00 0.00 O ATOM 338 CB TYR A 22 -2.351 1.563 -0.786 1.00 0.00 C ATOM 339 CG TYR A 22 -1.846 0.607 -1.870 1.00 0.00 C ATOM 340 CD1 TYR A 22 -0.787 0.973 -2.674 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.453 -0.621 -2.043 1.00 0.00 C ATOM 342 CE1 TYR A 22 -0.312 0.074 -3.694 1.00 0.00 C ATOM 343 CE2 TYR A 22 -1.979 -1.521 -3.063 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.932 -1.129 -3.838 1.00 0.00 C ATOM 345 OH TYR A 22 -0.484 -1.978 -4.801 1.00 0.00 O ATOM 0 H TYR A 22 0.207 2.462 -0.568 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.990 1.874 1.354 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.343 1.243 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.460 2.559 -1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.314 1.934 -2.539 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.283 -0.907 -1.414 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.517 0.348 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.444 -2.485 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.019 -2.799 -4.788 1.00 0.00 H new ATOM 355 N LYS A 23 -1.365 -0.538 1.450 1.00 0.00 N ATOM 356 CA LYS A 23 -0.816 -1.854 1.731 1.00 0.00 C ATOM 357 C LYS A 23 -1.960 -2.861 1.860 1.00 0.00 C ATOM 358 O LYS A 23 -2.921 -2.625 2.590 1.00 0.00 O ATOM 359 CB LYS A 23 0.099 -1.802 2.956 1.00 0.00 C ATOM 360 CG LYS A 23 -0.536 -0.985 4.082 1.00 0.00 C ATOM 361 CD LYS A 23 0.336 0.218 4.447 1.00 0.00 C ATOM 362 CE LYS A 23 0.211 0.556 5.934 1.00 0.00 C ATOM 363 NZ LYS A 23 1.095 -0.317 6.739 1.00 0.00 N ATOM 0 H LYS A 23 -2.245 -0.333 1.923 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.187 -2.189 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.301 -2.814 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.058 -1.363 2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.524 -0.642 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.676 -1.616 4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.377 0.003 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.041 1.080 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.474 1.601 6.099 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.823 0.432 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.999 -0.075 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.826 -1.311 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.082 -0.179 6.443 1.00 0.00 H new ATOM 377 N MET A 24 -1.818 -3.963 1.138 1.00 0.00 N ATOM 378 CA MET A 24 -2.828 -5.008 1.162 1.00 0.00 C ATOM 379 C MET A 24 -2.288 -6.277 1.825 1.00 0.00 C ATOM 380 O MET A 24 -1.131 -6.642 1.625 1.00 0.00 O ATOM 381 CB MET A 24 -3.268 -5.326 -0.268 1.00 0.00 C ATOM 382 CG MET A 24 -3.543 -4.043 -1.055 1.00 0.00 C ATOM 383 SD MET A 24 -4.807 -4.338 -2.280 1.00 0.00 S ATOM 384 CE MET A 24 -3.805 -4.378 -3.757 1.00 0.00 C ATOM 0 H MET A 24 -1.019 -4.155 0.533 1.00 0.00 H new ATOM 0 HA MET A 24 -3.679 -4.652 1.742 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.494 -5.906 -0.770 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.166 -5.944 -0.247 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.860 -3.251 -0.376 1.00 0.00 H new ATOM 0 HG3 MET A 24 -2.629 -3.700 -1.539 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.071 -3.539 -4.400 1.00 0.00 H new ATOM 0 HE2 MET A 24 -2.752 -4.307 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.979 -5.313 -4.290 1.00 0.00 H new ATOM 394 N PHE A 25 -3.153 -6.916 2.600 1.00 0.00 N ATOM 395 CA PHE A 25 -2.777 -8.136 3.293 1.00 0.00 C ATOM 396 C PHE A 25 -3.911 -9.162 3.249 1.00 0.00 C ATOM 397 O PHE A 25 -5.082 -8.796 3.154 1.00 0.00 O ATOM 398 CB PHE A 25 -2.504 -7.757 4.751 1.00 0.00 C ATOM 399 CG PHE A 25 -1.680 -6.479 4.917 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.204 -5.279 4.551 1.00 0.00 C ATOM 401 CD2 PHE A 25 -0.422 -6.544 5.432 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.438 -4.093 4.705 1.00 0.00 C ATOM 403 CE2 PHE A 25 0.342 -5.358 5.587 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.182 -4.157 5.221 1.00 0.00 C ATOM 0 H PHE A 25 -4.113 -6.611 2.763 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.902 -8.580 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.456 -7.633 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.981 -8.580 5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.203 -5.228 4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.005 -7.497 5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.853 -3.140 4.412 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.340 -5.409 5.996 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.400 -3.255 5.340 1.00 0.00 H new ATOM 414 N MET A 26 -3.524 -10.427 3.321 1.00 0.00 N ATOM 415 CA MET A 26 -4.494 -11.510 3.291 1.00 0.00 C ATOM 416 C MET A 26 -5.202 -11.649 4.639 1.00 0.00 C ATOM 417 O MET A 26 -4.696 -11.188 5.661 1.00 0.00 O ATOM 418 CB MET A 26 -3.784 -12.821 2.949 1.00 0.00 C ATOM 419 CG MET A 26 -3.090 -12.732 1.588 1.00 0.00 C ATOM 420 SD MET A 26 -1.965 -14.102 1.385 1.00 0.00 S ATOM 421 CE MET A 26 -2.275 -14.506 -0.326 1.00 0.00 C ATOM 0 H MET A 26 -2.552 -10.727 3.400 1.00 0.00 H new ATOM 0 HA MET A 26 -5.242 -11.283 2.531 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.050 -13.053 3.721 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.506 -13.638 2.940 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.833 -12.740 0.791 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.547 -11.790 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.718 -15.500 -0.391 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.960 -13.774 -0.754 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.336 -14.491 -0.879 1.00 0.00 H new ATOM 431 N MET A 27 -6.364 -12.285 4.598 1.00 0.00 N ATOM 432 CA MET A 27 -7.148 -12.491 5.804 1.00 0.00 C ATOM 433 C MET A 27 -6.402 -13.385 6.797 1.00 0.00 C ATOM 434 O MET A 27 -6.487 -13.181 8.007 1.00 0.00 O ATOM 435 CB MET A 27 -8.486 -13.137 5.440 1.00 0.00 C ATOM 436 CG MET A 27 -9.519 -12.076 5.054 1.00 0.00 C ATOM 437 SD MET A 27 -10.616 -11.764 6.426 1.00 0.00 S ATOM 438 CE MET A 27 -10.015 -10.165 6.945 1.00 0.00 C ATOM 0 H MET A 27 -6.781 -12.664 3.748 1.00 0.00 H new ATOM 0 HA MET A 27 -7.319 -11.522 6.273 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.345 -13.831 4.612 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.855 -13.719 6.285 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.015 -11.154 4.764 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.091 -12.412 4.189 1.00 0.00 H new ATOM 0 HE1 MET A 27 -10.650 -9.779 7.742 1.00 0.00 H new ATOM 0 HE2 MET A 27 -8.993 -10.262 7.310 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.035 -9.477 6.100 1.00 0.00 H new ATOM 448 N SER A 28 -5.689 -14.357 6.248 1.00 0.00 N ATOM 449 CA SER A 28 -4.929 -15.284 7.070 1.00 0.00 C ATOM 450 C SER A 28 -3.729 -14.569 7.693 1.00 0.00 C ATOM 451 O SER A 28 -3.868 -13.882 8.705 1.00 0.00 O ATOM 452 CB SER A 28 -4.463 -16.490 6.253 1.00 0.00 C ATOM 453 OG SER A 28 -3.527 -17.291 6.969 1.00 0.00 O ATOM 0 H SER A 28 -5.621 -14.523 5.244 1.00 0.00 H new ATOM 0 HA SER A 28 -5.580 -15.648 7.865 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.326 -17.098 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.009 -16.145 5.324 1.00 0.00 H new ATOM 0 HG SER A 28 -3.255 -18.052 6.414 1.00 0.00 H new ATOM 459 N ASP A 29 -2.579 -14.751 7.062 1.00 0.00 N ATOM 460 CA ASP A 29 -1.356 -14.132 7.542 1.00 0.00 C ATOM 461 C ASP A 29 -1.375 -12.641 7.197 1.00 0.00 C ATOM 462 O ASP A 29 -0.866 -12.236 6.153 1.00 0.00 O ATOM 463 CB ASP A 29 -0.125 -14.754 6.879 1.00 0.00 C ATOM 464 CG ASP A 29 1.173 -14.629 7.678 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.303 -13.613 8.394 1.00 0.00 O ATOM 466 OD2 ASP A 29 2.008 -15.552 7.554 1.00 0.00 O ATOM 0 H ASP A 29 -2.468 -15.319 6.222 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.301 -14.286 8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.323 -15.811 6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.019 -14.287 5.905 1.00 0.00 H new ATOM 471 N LEU A 30 -1.966 -11.866 8.094 1.00 0.00 N ATOM 472 CA LEU A 30 -2.058 -10.430 7.897 1.00 0.00 C ATOM 473 C LEU A 30 -0.696 -9.792 8.181 1.00 0.00 C ATOM 474 O LEU A 30 -0.471 -8.628 7.852 1.00 0.00 O ATOM 475 CB LEU A 30 -3.198 -9.846 8.735 1.00 0.00 C ATOM 476 CG LEU A 30 -4.610 -10.291 8.349 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.480 -10.491 9.593 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.242 -9.311 7.360 1.00 0.00 C ATOM 0 H LEU A 30 -2.386 -12.206 8.959 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.307 -10.203 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.028 -10.110 9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.150 -8.759 8.670 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.539 -11.255 7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.479 -10.807 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.034 -11.255 10.230 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.547 -9.553 10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.245 -9.651 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.299 -8.322 7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.633 -9.261 6.458 1.00 0.00 H new ATOM 490 N THR A 31 0.176 -10.582 8.790 1.00 0.00 N ATOM 491 CA THR A 31 1.509 -10.110 9.121 1.00 0.00 C ATOM 492 C THR A 31 2.456 -10.308 7.936 1.00 0.00 C ATOM 493 O THR A 31 3.604 -9.870 7.974 1.00 0.00 O ATOM 494 CB THR A 31 1.964 -10.833 10.390 1.00 0.00 C ATOM 495 OG1 THR A 31 2.072 -9.795 11.361 1.00 0.00 O ATOM 496 CG2 THR A 31 3.387 -11.382 10.272 1.00 0.00 C ATOM 0 H THR A 31 -0.015 -11.546 9.063 1.00 0.00 H new ATOM 0 HA THR A 31 1.511 -9.038 9.321 1.00 0.00 H new ATOM 0 HB THR A 31 1.276 -11.650 10.609 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.361 -10.176 12.216 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.661 -11.886 11.199 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.436 -12.091 9.446 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.080 -10.561 10.087 1.00 0.00 H new ATOM 504 N ILE A 32 1.938 -10.968 6.910 1.00 0.00 N ATOM 505 CA ILE A 32 2.723 -11.229 5.716 1.00 0.00 C ATOM 506 C ILE A 32 2.043 -10.576 4.511 1.00 0.00 C ATOM 507 O ILE A 32 1.170 -11.176 3.886 1.00 0.00 O ATOM 508 CB ILE A 32 2.960 -12.732 5.549 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.168 -13.190 6.366 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.093 -13.104 4.070 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.304 -14.714 6.336 1.00 0.00 C ATOM 0 H ILE A 32 0.985 -11.329 6.881 1.00 0.00 H new ATOM 0 HA ILE A 32 3.713 -10.781 5.805 1.00 0.00 H new ATOM 0 HB ILE A 32 2.090 -13.261 5.938 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.074 -12.733 5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.064 -12.851 7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.261 -14.177 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.178 -12.834 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.935 -12.567 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.171 -15.014 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.406 -15.168 6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.432 -15.048 5.306 1.00 0.00 H new ATOM 523 N PRO A 33 2.469 -9.356 4.221 1.00 0.00 N ATOM 524 CA PRO A 33 1.896 -8.591 3.067 1.00 0.00 C ATOM 525 C PRO A 33 1.800 -9.257 1.652 1.00 0.00 C ATOM 526 O PRO A 33 2.581 -10.152 1.330 1.00 0.00 O ATOM 527 CB PRO A 33 2.756 -7.307 3.061 1.00 0.00 C ATOM 528 CG PRO A 33 3.317 -7.172 4.478 1.00 0.00 C ATOM 529 CD PRO A 33 3.524 -8.614 4.941 1.00 0.00 C ATOM 0 HA PRO A 33 0.826 -8.463 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.559 -7.378 2.328 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.157 -6.437 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.253 -6.614 4.484 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.625 -6.640 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.519 -8.980 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.417 -8.709 6.022 1.00 0.00 H new ATOM 537 N VAL A 34 0.840 -8.782 0.873 1.00 0.00 N ATOM 538 CA VAL A 34 0.634 -9.307 -0.467 1.00 0.00 C ATOM 539 C VAL A 34 0.900 -8.199 -1.489 1.00 0.00 C ATOM 540 O VAL A 34 1.484 -8.449 -2.542 1.00 0.00 O ATOM 541 CB VAL A 34 -0.768 -9.906 -0.585 1.00 0.00 C ATOM 542 CG1 VAL A 34 -0.701 -11.419 -0.798 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.617 -9.561 0.641 1.00 0.00 C ATOM 0 H VAL A 34 0.196 -8.039 1.144 1.00 0.00 H new ATOM 0 HA VAL A 34 1.335 -10.116 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.248 -9.466 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.711 -11.820 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.151 -11.633 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.193 -11.883 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.609 -9.999 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.141 -9.960 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.706 -8.478 0.729 1.00 0.00 H new ATOM 553 N LYS A 35 0.457 -6.999 -1.143 1.00 0.00 N ATOM 554 CA LYS A 35 0.639 -5.854 -2.017 1.00 0.00 C ATOM 555 C LYS A 35 1.102 -4.653 -1.188 1.00 0.00 C ATOM 556 O LYS A 35 0.571 -4.399 -0.108 1.00 0.00 O ATOM 557 CB LYS A 35 -0.632 -5.590 -2.826 1.00 0.00 C ATOM 558 CG LYS A 35 -1.213 -6.894 -3.375 1.00 0.00 C ATOM 559 CD LYS A 35 -0.476 -7.332 -4.642 1.00 0.00 C ATOM 560 CE LYS A 35 -1.334 -8.287 -5.474 1.00 0.00 C ATOM 561 NZ LYS A 35 -1.926 -7.578 -6.630 1.00 0.00 N ATOM 0 H LYS A 35 -0.028 -6.796 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 35 1.420 -6.055 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.372 -5.095 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.409 -4.912 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.140 -7.676 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.272 -6.761 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.218 -6.456 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.460 -7.821 -4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.725 -9.121 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.125 -8.708 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.505 -8.241 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.523 -6.797 -6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.166 -7.197 -7.230 1.00 0.00 H new ATOM 575 N ARG A 36 2.085 -3.947 -1.725 1.00 0.00 N ATOM 576 CA ARG A 36 2.625 -2.780 -1.048 1.00 0.00 C ATOM 577 C ARG A 36 3.124 -1.757 -2.071 1.00 0.00 C ATOM 578 O ARG A 36 4.089 -2.012 -2.790 1.00 0.00 O ATOM 579 CB ARG A 36 3.778 -3.166 -0.119 1.00 0.00 C ATOM 580 CG ARG A 36 3.281 -3.371 1.313 1.00 0.00 C ATOM 581 CD ARG A 36 4.315 -4.130 2.148 1.00 0.00 C ATOM 582 NE ARG A 36 4.029 -3.956 3.590 1.00 0.00 N ATOM 583 CZ ARG A 36 4.923 -4.169 4.564 1.00 0.00 C ATOM 584 NH1 ARG A 36 6.165 -4.567 4.259 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.574 -3.985 5.846 1.00 0.00 N ATOM 0 H ARG A 36 2.522 -4.160 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 36 1.824 -2.342 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.249 -4.081 -0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.540 -2.387 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.076 -2.404 1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.342 -3.924 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.296 -5.189 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.317 -3.765 1.921 1.00 0.00 H new ATOM 0 HE ARG A 36 3.092 -3.655 3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.430 -4.708 3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.845 -4.729 5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.628 -3.683 6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.255 -4.147 6.588 1.00 0.00 H new ATOM 599 N GLY A 37 2.444 -0.620 -2.102 1.00 0.00 N ATOM 600 CA GLY A 37 2.807 0.442 -3.025 1.00 0.00 C ATOM 601 C GLY A 37 2.148 1.764 -2.624 1.00 0.00 C ATOM 602 O GLY A 37 2.114 2.113 -1.445 1.00 0.00 O ATOM 0 H GLY A 37 1.645 -0.411 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.890 0.561 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.502 0.171 -4.036 1.00 0.00 H new ATOM 606 N CYS A 38 1.642 2.464 -3.629 1.00 0.00 N ATOM 607 CA CYS A 38 0.987 3.740 -3.396 1.00 0.00 C ATOM 608 C CYS A 38 -0.358 3.730 -4.126 1.00 0.00 C ATOM 609 O CYS A 38 -0.582 2.905 -5.011 1.00 0.00 O ATOM 610 CB CYS A 38 1.864 4.915 -3.832 1.00 0.00 C ATOM 611 SG CYS A 38 3.598 4.835 -3.252 1.00 0.00 S ATOM 0 H CYS A 38 1.672 2.172 -4.606 1.00 0.00 H new ATOM 0 HA CYS A 38 0.819 3.875 -2.328 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.862 4.967 -4.921 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.416 5.839 -3.468 1.00 0.00 H new ATOM 616 N ILE A 39 -1.218 4.657 -3.729 1.00 0.00 N ATOM 617 CA ILE A 39 -2.534 4.766 -4.335 1.00 0.00 C ATOM 618 C ILE A 39 -3.011 6.217 -4.252 1.00 0.00 C ATOM 619 O ILE A 39 -2.409 7.033 -3.555 1.00 0.00 O ATOM 620 CB ILE A 39 -3.499 3.764 -3.699 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.573 3.328 -4.699 1.00 0.00 C ATOM 622 CG2 ILE A 39 -4.108 4.328 -2.413 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.590 1.807 -4.858 1.00 0.00 C ATOM 0 H ILE A 39 -1.029 5.339 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.490 4.506 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.934 2.873 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.550 3.673 -4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.386 3.796 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.790 3.595 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.313 4.548 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.655 5.243 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.362 1.525 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.619 1.468 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.801 1.343 -3.895 1.00 0.00 H new ATOM 635 N ASP A 40 -4.087 6.495 -4.972 1.00 0.00 N ATOM 636 CA ASP A 40 -4.652 7.834 -4.989 1.00 0.00 C ATOM 637 C ASP A 40 -5.809 7.907 -3.992 1.00 0.00 C ATOM 638 O ASP A 40 -5.958 8.899 -3.280 1.00 0.00 O ATOM 639 CB ASP A 40 -5.199 8.182 -6.375 1.00 0.00 C ATOM 640 CG ASP A 40 -5.748 6.998 -7.171 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.996 5.951 -6.533 1.00 0.00 O ATOM 642 OD2 ASP A 40 -5.910 7.165 -8.399 1.00 0.00 O ATOM 0 H ASP A 40 -4.583 5.816 -5.549 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.862 8.537 -4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.991 8.922 -6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.405 8.653 -6.954 1.00 0.00 H new ATOM 647 N VAL A 41 -6.599 6.842 -3.971 1.00 0.00 N ATOM 648 CA VAL A 41 -7.739 6.774 -3.072 1.00 0.00 C ATOM 649 C VAL A 41 -7.643 5.500 -2.231 1.00 0.00 C ATOM 650 O VAL A 41 -7.083 4.499 -2.675 1.00 0.00 O ATOM 651 CB VAL A 41 -9.041 6.867 -3.869 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.113 7.623 -3.083 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.803 7.516 -5.235 1.00 0.00 C ATOM 0 H VAL A 41 -6.472 6.020 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.734 7.620 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.403 5.853 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.028 7.674 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.313 7.102 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.763 8.633 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.745 7.570 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.406 8.522 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.088 6.919 -5.802 1.00 0.00 H new ATOM 663 N CYS A 42 -8.198 5.578 -1.030 1.00 0.00 N ATOM 664 CA CYS A 42 -8.182 4.444 -0.122 1.00 0.00 C ATOM 665 C CYS A 42 -9.220 3.428 -0.605 1.00 0.00 C ATOM 666 O CYS A 42 -10.421 3.683 -0.541 1.00 0.00 O ATOM 667 CB CYS A 42 -8.435 4.873 1.324 1.00 0.00 C ATOM 668 SG CYS A 42 -7.541 3.891 2.583 1.00 0.00 S ATOM 0 H CYS A 42 -8.662 6.410 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.194 3.984 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.152 5.920 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.504 4.809 1.525 1.00 0.00 H new ATOM 673 N PRO A 43 -8.717 2.297 -1.079 1.00 0.00 N ATOM 674 CA PRO A 43 -9.612 1.208 -1.588 1.00 0.00 C ATOM 675 C PRO A 43 -10.606 0.488 -0.613 1.00 0.00 C ATOM 676 O PRO A 43 -10.430 0.532 0.603 1.00 0.00 O ATOM 677 CB PRO A 43 -8.606 0.231 -2.238 1.00 0.00 C ATOM 678 CG PRO A 43 -7.302 1.015 -2.393 1.00 0.00 C ATOM 679 CD PRO A 43 -7.281 1.955 -1.189 1.00 0.00 C ATOM 0 HA PRO A 43 -10.359 1.652 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.460 -0.651 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.969 -0.118 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.437 0.352 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.280 1.570 -3.331 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.902 1.467 -0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.659 2.833 -1.361 1.00 0.00 H new ATOM 687 N LYS A 44 -11.610 -0.143 -1.204 1.00 0.00 N ATOM 688 CA LYS A 44 -12.609 -0.856 -0.425 1.00 0.00 C ATOM 689 C LYS A 44 -12.010 -2.167 0.087 1.00 0.00 C ATOM 690 O LYS A 44 -11.328 -2.873 -0.654 1.00 0.00 O ATOM 691 CB LYS A 44 -13.891 -1.041 -1.239 1.00 0.00 C ATOM 692 CG LYS A 44 -14.389 0.297 -1.790 1.00 0.00 C ATOM 693 CD LYS A 44 -15.325 0.985 -0.795 1.00 0.00 C ATOM 694 CE LYS A 44 -14.681 2.249 -0.220 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.488 2.777 0.903 1.00 0.00 N ATOM 0 H LYS A 44 -11.753 -0.176 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.897 -0.274 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.707 -1.731 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.662 -1.490 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.539 0.945 -2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.911 0.134 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.262 1.242 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.570 0.297 0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.671 2.026 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.592 3.006 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.037 3.634 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.444 3.009 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.551 2.059 1.653 1.00 0.00 H new ATOM 709 N ASN A 45 -12.287 -2.453 1.350 1.00 0.00 N ATOM 710 CA ASN A 45 -11.785 -3.668 1.970 1.00 0.00 C ATOM 711 C ASN A 45 -12.749 -4.820 1.681 1.00 0.00 C ATOM 712 O ASN A 45 -13.951 -4.605 1.528 1.00 0.00 O ATOM 713 CB ASN A 45 -11.680 -3.510 3.488 1.00 0.00 C ATOM 714 CG ASN A 45 -10.639 -2.452 3.858 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.511 -2.752 4.213 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.078 -1.201 3.758 1.00 0.00 N ATOM 0 H ASN A 45 -12.853 -1.864 1.962 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.796 -3.871 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.651 -3.228 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.410 -4.465 3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.458 -0.423 3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.035 -1.019 3.454 1.00 0.00 H new ATOM 723 N SER A 46 -12.187 -6.018 1.613 1.00 0.00 N ATOM 724 CA SER A 46 -12.982 -7.204 1.344 1.00 0.00 C ATOM 725 C SER A 46 -12.857 -8.192 2.505 1.00 0.00 C ATOM 726 O SER A 46 -12.034 -8.003 3.399 1.00 0.00 O ATOM 727 CB SER A 46 -12.555 -7.868 0.033 1.00 0.00 C ATOM 728 OG SER A 46 -11.167 -8.191 0.027 1.00 0.00 O ATOM 0 H SER A 46 -11.190 -6.193 1.740 1.00 0.00 H new ATOM 0 HA SER A 46 -14.024 -6.901 1.244 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.139 -8.775 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.776 -7.201 -0.800 1.00 0.00 H new ATOM 0 HG SER A 46 -10.721 -7.731 0.769 1.00 0.00 H new ATOM 734 N LEU A 47 -13.685 -9.225 2.453 1.00 0.00 N ATOM 735 CA LEU A 47 -13.677 -10.243 3.490 1.00 0.00 C ATOM 736 C LEU A 47 -12.610 -11.291 3.162 1.00 0.00 C ATOM 737 O LEU A 47 -12.563 -12.349 3.786 1.00 0.00 O ATOM 738 CB LEU A 47 -15.078 -10.829 3.675 1.00 0.00 C ATOM 739 CG LEU A 47 -16.136 -9.876 4.235 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.547 -10.381 3.929 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.924 -9.640 5.732 1.00 0.00 C ATOM 0 H LEU A 47 -14.366 -9.379 1.709 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.409 -9.806 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.425 -11.199 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.005 -11.690 4.340 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.024 -8.912 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.279 -9.685 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.681 -10.455 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.688 -11.363 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.689 -8.959 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.993 -10.589 6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.939 -9.203 5.896 1.00 0.00 H new ATOM 753 N LEU A 48 -11.782 -10.958 2.183 1.00 0.00 N ATOM 754 CA LEU A 48 -10.719 -11.856 1.765 1.00 0.00 C ATOM 755 C LEU A 48 -9.365 -11.210 2.061 1.00 0.00 C ATOM 756 O LEU A 48 -8.475 -11.853 2.617 1.00 0.00 O ATOM 757 CB LEU A 48 -10.902 -12.256 0.299 1.00 0.00 C ATOM 758 CG LEU A 48 -12.285 -12.787 -0.084 1.00 0.00 C ATOM 759 CD1 LEU A 48 -13.166 -11.669 -0.643 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.170 -13.965 -1.053 1.00 0.00 C ATOM 0 H LEU A 48 -11.826 -10.079 1.667 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.760 -12.785 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.682 -11.389 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.162 -13.018 0.056 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.771 -13.158 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.143 -12.073 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.287 -10.890 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.697 -11.245 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.167 -14.324 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.656 -13.642 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.605 -14.769 -0.582 1.00 0.00 H new ATOM 772 N VAL A 49 -9.251 -9.947 1.679 1.00 0.00 N ATOM 773 CA VAL A 49 -8.020 -9.207 1.897 1.00 0.00 C ATOM 774 C VAL A 49 -8.346 -7.864 2.553 1.00 0.00 C ATOM 775 O VAL A 49 -9.444 -7.336 2.383 1.00 0.00 O ATOM 776 CB VAL A 49 -7.258 -9.058 0.579 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.258 -10.372 -0.205 1.00 0.00 C ATOM 778 CG2 VAL A 49 -7.833 -7.917 -0.262 1.00 0.00 C ATOM 0 H VAL A 49 -9.991 -9.417 1.220 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.364 -9.751 2.577 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.224 -8.809 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.710 -10.239 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.779 -11.150 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.285 -10.664 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.273 -7.833 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.880 -8.122 -0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.757 -6.982 0.293 1.00 0.00 H new ATOM 788 N LYS A 50 -7.373 -7.348 3.290 1.00 0.00 N ATOM 789 CA LYS A 50 -7.544 -6.076 3.972 1.00 0.00 C ATOM 790 C LYS A 50 -6.610 -5.039 3.346 1.00 0.00 C ATOM 791 O LYS A 50 -5.495 -5.364 2.941 1.00 0.00 O ATOM 792 CB LYS A 50 -7.351 -6.248 5.480 1.00 0.00 C ATOM 793 CG LYS A 50 -7.863 -5.023 6.240 1.00 0.00 C ATOM 794 CD LYS A 50 -6.702 -4.136 6.695 1.00 0.00 C ATOM 795 CE LYS A 50 -6.773 -3.871 8.201 1.00 0.00 C ATOM 796 NZ LYS A 50 -5.501 -3.291 8.686 1.00 0.00 N ATOM 0 H LYS A 50 -6.463 -7.788 3.430 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.562 -5.707 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.880 -7.138 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.295 -6.402 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.535 -4.449 5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.442 -5.344 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.755 -4.617 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.728 -3.190 6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.596 -3.190 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.981 -4.801 8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.411 -3.458 9.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.704 -3.739 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.493 -2.268 8.500 1.00 0.00 H new ATOM 810 N TYR A 51 -7.100 -3.809 3.287 1.00 0.00 N ATOM 811 CA TYR A 51 -6.323 -2.721 2.718 1.00 0.00 C ATOM 812 C TYR A 51 -6.069 -1.626 3.757 1.00 0.00 C ATOM 813 O TYR A 51 -6.954 -1.297 4.546 1.00 0.00 O ATOM 814 CB TYR A 51 -7.174 -2.143 1.585 1.00 0.00 C ATOM 815 CG TYR A 51 -7.668 -3.189 0.584 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.565 -4.158 0.985 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.217 -3.163 -0.720 1.00 0.00 C ATOM 818 CE1 TYR A 51 -9.031 -5.142 0.043 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.684 -4.148 -1.663 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.567 -5.088 -1.235 1.00 0.00 C ATOM 821 OH TYR A 51 -9.008 -6.018 -2.125 1.00 0.00 O ATOM 0 H TYR A 51 -8.025 -3.542 3.624 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.354 -3.082 2.372 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.035 -1.631 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.590 -1.392 1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.917 -4.178 2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.515 -2.405 -1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.733 -5.906 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.340 -4.139 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.594 -5.857 -2.999 1.00 0.00 H new ATOM 831 N VAL A 52 -4.857 -1.093 3.723 1.00 0.00 N ATOM 832 CA VAL A 52 -4.476 -0.043 4.652 1.00 0.00 C ATOM 833 C VAL A 52 -3.762 1.073 3.888 1.00 0.00 C ATOM 834 O VAL A 52 -2.974 0.806 2.982 1.00 0.00 O ATOM 835 CB VAL A 52 -3.629 -0.628 5.785 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.734 0.231 7.048 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.026 -2.077 6.074 1.00 0.00 C ATOM 0 H VAL A 52 -4.126 -1.368 3.067 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.360 0.394 5.117 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.588 -0.623 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.123 -0.207 7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.381 1.239 6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.773 0.273 7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.409 -2.469 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.075 -2.115 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.877 -2.681 5.179 1.00 0.00 H new ATOM 847 N CYS A 53 -4.062 2.303 4.282 1.00 0.00 N ATOM 848 CA CYS A 53 -3.459 3.461 3.645 1.00 0.00 C ATOM 849 C CYS A 53 -2.569 4.164 4.671 1.00 0.00 C ATOM 850 O CYS A 53 -2.729 3.968 5.875 1.00 0.00 O ATOM 851 CB CYS A 53 -4.516 4.403 3.066 1.00 0.00 C ATOM 852 SG CYS A 53 -5.686 3.618 1.897 1.00 0.00 S ATOM 0 H CYS A 53 -4.715 2.522 5.035 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.852 3.139 2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.083 4.839 3.888 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.011 5.224 2.557 1.00 0.00 H new ATOM 857 N CYS A 54 -1.649 4.969 4.158 1.00 0.00 N ATOM 858 CA CYS A 54 -0.733 5.703 5.015 1.00 0.00 C ATOM 859 C CYS A 54 -0.157 6.871 4.214 1.00 0.00 C ATOM 860 O CYS A 54 0.272 6.695 3.074 1.00 0.00 O ATOM 861 CB CYS A 54 0.365 4.796 5.575 1.00 0.00 C ATOM 862 SG CYS A 54 1.117 3.658 4.355 1.00 0.00 S ATOM 0 H CYS A 54 -1.519 5.129 3.159 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.270 6.090 5.881 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.151 5.420 6.001 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.052 4.207 6.392 1.00 0.00 H new ATOM 867 N ASN A 55 -0.164 8.038 4.841 1.00 0.00 N ATOM 868 CA ASN A 55 0.352 9.235 4.200 1.00 0.00 C ATOM 869 C ASN A 55 1.794 9.471 4.656 1.00 0.00 C ATOM 870 O ASN A 55 2.395 10.491 4.323 1.00 0.00 O ATOM 871 CB ASN A 55 -0.472 10.466 4.584 1.00 0.00 C ATOM 872 CG ASN A 55 0.181 11.224 5.742 1.00 0.00 C ATOM 873 OD1 ASN A 55 0.583 12.369 5.619 1.00 0.00 O ATOM 874 ND2 ASN A 55 0.261 10.523 6.869 1.00 0.00 N ATOM 0 H ASN A 55 -0.519 8.180 5.787 1.00 0.00 H new ATOM 0 HA ASN A 55 0.299 9.088 3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.570 11.126 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.479 10.160 4.867 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.679 10.940 7.701 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.096 9.568 6.902 1.00 0.00 H new ATOM 881 N THR A 56 2.306 8.511 5.412 1.00 0.00 N ATOM 882 CA THR A 56 3.666 8.601 5.918 1.00 0.00 C ATOM 883 C THR A 56 4.632 7.873 4.981 1.00 0.00 C ATOM 884 O THR A 56 4.217 7.030 4.189 1.00 0.00 O ATOM 885 CB THR A 56 3.676 8.054 7.347 1.00 0.00 C ATOM 886 OG1 THR A 56 3.007 6.799 7.243 1.00 0.00 O ATOM 887 CG2 THR A 56 2.791 8.870 8.292 1.00 0.00 C ATOM 0 H THR A 56 1.804 7.667 5.687 1.00 0.00 H new ATOM 0 HA THR A 56 4.010 9.635 5.949 1.00 0.00 H new ATOM 0 HB THR A 56 4.698 8.044 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.970 6.374 8.125 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.834 8.440 9.293 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.146 9.900 8.324 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.762 8.852 7.933 1.00 0.00 H new ATOM 895 N ASP A 57 5.903 8.226 5.105 1.00 0.00 N ATOM 896 CA ASP A 57 6.933 7.617 4.280 1.00 0.00 C ATOM 897 C ASP A 57 7.328 6.266 4.879 1.00 0.00 C ATOM 898 O ASP A 57 7.045 5.994 6.045 1.00 0.00 O ATOM 899 CB ASP A 57 8.185 8.494 4.224 1.00 0.00 C ATOM 900 CG ASP A 57 7.926 9.999 4.332 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.754 10.464 5.479 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.906 10.649 3.264 1.00 0.00 O ATOM 0 H ASP A 57 6.243 8.926 5.764 1.00 0.00 H new ATOM 0 HA ASP A 57 6.532 7.498 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.855 8.197 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.707 8.297 3.288 1.00 0.00 H new ATOM 907 N ARG A 58 7.975 5.456 4.055 1.00 0.00 N ATOM 908 CA ARG A 58 8.411 4.140 4.490 1.00 0.00 C ATOM 909 C ARG A 58 7.367 3.512 5.415 1.00 0.00 C ATOM 910 O ARG A 58 7.715 2.828 6.376 1.00 0.00 O ATOM 911 CB ARG A 58 9.751 4.219 5.223 1.00 0.00 C ATOM 912 CG ARG A 58 10.843 4.783 4.313 1.00 0.00 C ATOM 913 CD ARG A 58 12.128 5.052 5.099 1.00 0.00 C ATOM 914 NE ARG A 58 12.165 6.463 5.543 1.00 0.00 N ATOM 915 CZ ARG A 58 13.030 6.944 6.446 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.935 6.131 7.006 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.990 8.239 6.789 1.00 0.00 N ATOM 0 H ARG A 58 8.208 5.685 3.089 1.00 0.00 H new ATOM 0 HA ARG A 58 8.532 3.521 3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.649 4.848 6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.039 3.226 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.047 4.080 3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.495 5.707 3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.181 4.389 5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.996 4.835 4.477 1.00 0.00 H new ATOM 0 HE ARG A 58 11.490 7.110 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.966 5.145 6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.593 6.497 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.301 8.858 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.649 8.605 7.477 1.00 0.00 H new ATOM 931 N CYS A 59 6.107 3.768 5.092 1.00 0.00 N ATOM 932 CA CYS A 59 5.010 3.237 5.883 1.00 0.00 C ATOM 933 C CYS A 59 4.706 1.820 5.391 1.00 0.00 C ATOM 934 O CYS A 59 4.594 0.893 6.191 1.00 0.00 O ATOM 935 CB CYS A 59 3.777 4.141 5.818 1.00 0.00 C ATOM 936 SG CYS A 59 3.004 4.268 4.164 1.00 0.00 S ATOM 0 H CYS A 59 5.822 4.336 4.294 1.00 0.00 H new ATOM 0 HA CYS A 59 5.298 3.202 6.934 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.034 3.769 6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.059 5.140 6.149 1.00 0.00 H new ATOM 941 N ASN A 60 4.581 1.698 4.078 1.00 0.00 N ATOM 942 CA ASN A 60 4.292 0.410 3.470 1.00 0.00 C ATOM 943 C ASN A 60 5.557 -0.127 2.798 1.00 0.00 C ATOM 944 O ASN A 60 6.251 0.607 2.097 1.00 0.00 O ATOM 945 CB ASN A 60 3.206 0.536 2.401 1.00 0.00 C ATOM 946 CG ASN A 60 3.758 1.192 1.133 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.577 2.373 0.884 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.440 0.363 0.349 1.00 0.00 N ATOM 0 H ASN A 60 4.675 2.470 3.418 1.00 0.00 H new ATOM 0 HA ASN A 60 3.948 -0.263 4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.810 -0.451 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.376 1.127 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.849 0.704 -0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.554 -0.615 0.617 1.00 0.00 H new TER 955 ASN A 60 HETATM 956 O HOH A 61 -1.118 -12.210 3.219 1.00 0.00 O