USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 453 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 11 ASN : amide:sc= -0.721 K(o=-1,f=-10!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -174:sc= -0.322! (180deg=-0.619!) USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 56 THR OG1 : rot 5:sc= 0.979 USER MOD Set 3.1: A 35 TYR OH : rot -8:sc= 1.25! USER MOD Set 3.2: A 46 TYR OH : rot -12:sc= 2.15 USER MOD Single : A 1 LYS N :NH3+ -117:sc= -0.29 (180deg=-1.97) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0.318 (180deg=0.296) USER MOD Single : A 5 TYR OH : rot -14:sc= 0.629 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= -0.0116 (180deg=-0.119) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0471 F(o=-1.4!,f=-0.047) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= -0.0679 (180deg=-0.986) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 96:sc= -3.47! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.82! C(o=-2.8!,f=-12!) USER MOD Single : A 52 SER OG : rot -109:sc= -1.79! USER MOD Single : A 57 SER OG : rot 71:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.517 13.787 2.774 1.00 0.00 N ATOM 2 CA LYS A 1 3.333 12.567 2.519 1.00 0.00 C ATOM 3 C LYS A 1 3.347 11.686 3.771 1.00 0.00 C ATOM 4 O LYS A 1 3.494 12.165 4.877 1.00 0.00 O ATOM 5 CB LYS A 1 4.765 12.974 2.159 1.00 0.00 C ATOM 6 CG LYS A 1 5.436 13.631 3.368 1.00 0.00 C ATOM 7 CD LYS A 1 6.539 14.580 2.890 1.00 0.00 C ATOM 8 CE LYS A 1 7.836 13.795 2.682 1.00 0.00 C ATOM 9 NZ LYS A 1 8.332 14.015 1.294 1.00 0.00 N ATOM 0 H1 LYS A 1 1.697 13.796 2.134 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.187 13.784 3.760 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.097 14.634 2.606 1.00 0.00 H new ATOM 0 HA LYS A 1 2.898 12.008 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.334 12.098 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.756 13.665 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.698 14.180 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 1 5.857 12.868 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.240 15.062 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.695 15.372 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.588 14.116 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 1 7.662 12.733 2.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.214 13.482 1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.616 13.689 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.513 15.028 1.147 1.00 0.00 H new ATOM 25 N LYS A 2 3.195 10.398 3.605 1.00 0.00 N ATOM 26 CA LYS A 2 3.200 9.490 4.785 1.00 0.00 C ATOM 27 C LYS A 2 3.236 8.031 4.316 1.00 0.00 C ATOM 28 O LYS A 2 3.083 7.740 3.145 1.00 0.00 O ATOM 29 CB LYS A 2 1.941 9.745 5.629 1.00 0.00 C ATOM 30 CG LYS A 2 0.750 8.951 5.073 1.00 0.00 C ATOM 31 CD LYS A 2 0.548 9.287 3.594 1.00 0.00 C ATOM 32 CE LYS A 2 -0.536 8.378 3.008 1.00 0.00 C ATOM 33 NZ LYS A 2 -1.666 9.212 2.513 1.00 0.00 N ATOM 0 H LYS A 2 3.068 9.938 2.703 1.00 0.00 H new ATOM 0 HA LYS A 2 4.084 9.685 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.126 9.458 6.664 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.707 10.810 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.927 7.882 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.152 9.189 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.260 10.332 3.484 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.483 9.155 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.125 7.782 2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.890 7.680 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.439 8.594 2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.008 9.824 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.341 9.801 1.719 1.00 0.00 H new ATOM 47 N ASP A 3 3.425 7.114 5.228 1.00 0.00 N ATOM 48 CA ASP A 3 3.458 5.676 4.859 1.00 0.00 C ATOM 49 C ASP A 3 2.028 5.143 4.896 1.00 0.00 C ATOM 50 O ASP A 3 1.140 5.787 5.418 1.00 0.00 O ATOM 51 CB ASP A 3 4.306 4.919 5.882 1.00 0.00 C ATOM 52 CG ASP A 3 5.362 5.854 6.477 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.060 6.493 5.706 1.00 0.00 O ATOM 54 OD2 ASP A 3 5.459 5.912 7.692 1.00 0.00 O ATOM 0 H ASP A 3 3.559 7.306 6.221 1.00 0.00 H new ATOM 0 HA ASP A 3 3.885 5.545 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 3 3.670 4.524 6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.790 4.066 5.406 1.00 0.00 H new ATOM 59 N GLY A 4 1.782 3.980 4.362 1.00 0.00 N ATOM 60 CA GLY A 4 0.388 3.456 4.405 1.00 0.00 C ATOM 61 C GLY A 4 0.188 2.322 3.397 1.00 0.00 C ATOM 62 O GLY A 4 1.089 1.944 2.668 1.00 0.00 O ATOM 0 H GLY A 4 2.469 3.380 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.163 3.096 5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.313 4.263 4.191 1.00 0.00 H new ATOM 66 N TYR A 5 -1.005 1.783 3.362 1.00 0.00 N ATOM 67 CA TYR A 5 -1.320 0.675 2.417 1.00 0.00 C ATOM 68 C TYR A 5 -1.950 1.270 1.147 1.00 0.00 C ATOM 69 O TYR A 5 -3.071 1.729 1.182 1.00 0.00 O ATOM 70 CB TYR A 5 -2.325 -0.269 3.075 1.00 0.00 C ATOM 71 CG TYR A 5 -1.656 -1.002 4.210 1.00 0.00 C ATOM 72 CD1 TYR A 5 -0.841 -2.105 3.941 1.00 0.00 C ATOM 73 CD2 TYR A 5 -1.851 -0.578 5.529 1.00 0.00 C ATOM 74 CE1 TYR A 5 -0.221 -2.789 4.992 1.00 0.00 C ATOM 75 CE2 TYR A 5 -1.230 -1.260 6.581 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.415 -2.367 6.313 1.00 0.00 C ATOM 77 OH TYR A 5 0.195 -3.042 7.350 1.00 0.00 O ATOM 0 H TYR A 5 -1.782 2.070 3.957 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.411 0.130 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.181 0.295 3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.706 -0.981 2.342 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.690 -2.429 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.480 0.275 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.407 -3.643 4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.379 -0.933 7.599 1.00 0.00 H new ATOM 0 HH TYR A 5 0.540 -3.899 7.024 1.00 0.00 H new ATOM 87 N PRO A 6 -1.217 1.243 0.065 1.00 0.00 N ATOM 88 CA PRO A 6 -1.700 1.782 -1.222 1.00 0.00 C ATOM 89 C PRO A 6 -2.954 1.033 -1.697 1.00 0.00 C ATOM 90 O PRO A 6 -2.904 -0.136 -2.015 1.00 0.00 O ATOM 91 CB PRO A 6 -0.535 1.565 -2.197 1.00 0.00 C ATOM 92 CG PRO A 6 0.621 0.893 -1.412 1.00 0.00 C ATOM 93 CD PRO A 6 0.142 0.677 0.031 1.00 0.00 C ATOM 0 HA PRO A 6 -1.985 2.831 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.847 0.936 -3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.208 2.515 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.893 -0.058 -1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.511 1.522 -1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.136 -0.381 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.797 1.177 0.744 1.00 0.00 H new ATOM 101 N VAL A 7 -4.078 1.705 -1.759 1.00 0.00 N ATOM 102 CA VAL A 7 -5.329 1.031 -2.226 1.00 0.00 C ATOM 103 C VAL A 7 -5.801 1.678 -3.530 1.00 0.00 C ATOM 104 O VAL A 7 -5.588 2.850 -3.767 1.00 0.00 O ATOM 105 CB VAL A 7 -6.417 1.162 -1.160 1.00 0.00 C ATOM 106 CG1 VAL A 7 -5.845 0.761 0.196 1.00 0.00 C ATOM 107 CG2 VAL A 7 -6.905 2.609 -1.086 1.00 0.00 C ATOM 0 H VAL A 7 -4.183 2.688 -1.507 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.127 -0.026 -2.399 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.252 0.512 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.618 0.853 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.498 -0.272 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.009 1.414 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.680 2.693 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.071 3.262 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.313 2.905 -2.052 1.00 0.00 H new ATOM 117 N ASP A 8 -6.428 0.916 -4.385 1.00 0.00 N ATOM 118 CA ASP A 8 -6.898 1.483 -5.683 1.00 0.00 C ATOM 119 C ASP A 8 -8.126 2.374 -5.466 1.00 0.00 C ATOM 120 O ASP A 8 -8.351 2.893 -4.390 1.00 0.00 O ATOM 121 CB ASP A 8 -7.255 0.342 -6.638 1.00 0.00 C ATOM 122 CG ASP A 8 -8.518 -0.362 -6.140 1.00 0.00 C ATOM 123 OD1 ASP A 8 -8.686 -0.452 -4.935 1.00 0.00 O ATOM 124 OD2 ASP A 8 -9.297 -0.797 -6.972 1.00 0.00 O ATOM 0 H ASP A 8 -6.635 -0.072 -4.242 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.099 2.087 -6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.415 0.731 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.430 -0.368 -6.699 1.00 0.00 H new ATOM 129 N SER A 9 -8.916 2.565 -6.491 1.00 0.00 N ATOM 130 CA SER A 9 -10.123 3.432 -6.366 1.00 0.00 C ATOM 131 C SER A 9 -11.218 2.715 -5.568 1.00 0.00 C ATOM 132 O SER A 9 -12.309 3.225 -5.408 1.00 0.00 O ATOM 133 CB SER A 9 -10.648 3.765 -7.765 1.00 0.00 C ATOM 134 OG SER A 9 -11.806 2.984 -8.036 1.00 0.00 O ATOM 0 H SER A 9 -8.775 2.155 -7.414 1.00 0.00 H new ATOM 0 HA SER A 9 -9.850 4.347 -5.841 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.888 4.826 -7.832 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.879 3.565 -8.511 1.00 0.00 H new ATOM 0 HG SER A 9 -12.143 3.198 -8.931 1.00 0.00 H new ATOM 140 N GLY A 10 -10.948 1.538 -5.074 1.00 0.00 N ATOM 141 CA GLY A 10 -11.990 0.807 -4.298 1.00 0.00 C ATOM 142 C GLY A 10 -11.524 0.611 -2.853 1.00 0.00 C ATOM 143 O GLY A 10 -12.182 -0.039 -2.066 1.00 0.00 O ATOM 0 H GLY A 10 -10.056 1.053 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.926 1.365 -4.315 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.187 -0.160 -4.760 1.00 0.00 H new ATOM 147 N ASN A 11 -10.392 1.155 -2.498 1.00 0.00 N ATOM 148 CA ASN A 11 -9.890 0.980 -1.107 1.00 0.00 C ATOM 149 C ASN A 11 -9.373 -0.443 -0.962 1.00 0.00 C ATOM 150 O ASN A 11 -9.498 -1.072 0.071 1.00 0.00 O ATOM 151 CB ASN A 11 -11.018 1.232 -0.099 1.00 0.00 C ATOM 152 CG ASN A 11 -10.448 1.934 1.138 1.00 0.00 C ATOM 153 OD1 ASN A 11 -9.269 1.839 1.412 1.00 0.00 O ATOM 154 ND2 ASN A 11 -11.239 2.637 1.904 1.00 0.00 N ATOM 0 H ASN A 11 -9.795 1.712 -3.110 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.090 1.694 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.796 1.846 -0.553 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.483 0.288 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.866 3.105 2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.230 2.718 1.676 1.00 0.00 H new ATOM 161 N CYS A 12 -8.788 -0.944 -2.007 1.00 0.00 N ATOM 162 CA CYS A 12 -8.242 -2.325 -1.980 1.00 0.00 C ATOM 163 C CYS A 12 -6.717 -2.247 -1.989 1.00 0.00 C ATOM 164 O CYS A 12 -6.098 -2.003 -3.009 1.00 0.00 O ATOM 165 CB CYS A 12 -8.734 -3.087 -3.211 1.00 0.00 C ATOM 166 SG CYS A 12 -10.216 -4.037 -2.781 1.00 0.00 S ATOM 0 H CYS A 12 -8.663 -0.450 -2.891 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.576 -2.847 -1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.958 -2.390 -4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.953 -3.755 -3.574 1.00 0.00 H new ATOM 171 N LYS A 13 -6.113 -2.432 -0.852 1.00 0.00 N ATOM 172 CA LYS A 13 -4.628 -2.354 -0.762 1.00 0.00 C ATOM 173 C LYS A 13 -3.987 -3.441 -1.630 1.00 0.00 C ATOM 174 O LYS A 13 -4.403 -4.582 -1.619 1.00 0.00 O ATOM 175 CB LYS A 13 -4.201 -2.549 0.697 1.00 0.00 C ATOM 176 CG LYS A 13 -5.096 -3.601 1.358 1.00 0.00 C ATOM 177 CD LYS A 13 -6.083 -2.916 2.308 1.00 0.00 C ATOM 178 CE LYS A 13 -6.375 -3.838 3.494 1.00 0.00 C ATOM 179 NZ LYS A 13 -5.321 -3.663 4.533 1.00 0.00 N ATOM 0 H LYS A 13 -6.587 -2.636 0.028 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.299 -1.378 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.158 -2.864 0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.273 -1.605 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.639 -4.161 0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.486 -4.318 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.668 -1.972 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.007 -2.680 1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.355 -3.609 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.405 -4.876 3.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.265 -4.520 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.403 -3.498 4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.558 -2.848 5.134 1.00 0.00 H new ATOM 193 N TYR A 14 -2.964 -3.099 -2.371 1.00 0.00 N ATOM 194 CA TYR A 14 -2.290 -4.120 -3.219 1.00 0.00 C ATOM 195 C TYR A 14 -1.629 -5.145 -2.309 1.00 0.00 C ATOM 196 O TYR A 14 -0.894 -4.802 -1.413 1.00 0.00 O ATOM 197 CB TYR A 14 -1.224 -3.455 -4.091 1.00 0.00 C ATOM 198 CG TYR A 14 -1.804 -2.214 -4.718 1.00 0.00 C ATOM 199 CD1 TYR A 14 -2.998 -2.298 -5.442 1.00 0.00 C ATOM 200 CD2 TYR A 14 -1.153 -0.985 -4.577 1.00 0.00 C ATOM 201 CE1 TYR A 14 -3.543 -1.153 -6.027 1.00 0.00 C ATOM 202 CE2 TYR A 14 -1.697 0.164 -5.163 1.00 0.00 C ATOM 203 CZ TYR A 14 -2.893 0.081 -5.889 1.00 0.00 C ATOM 204 OH TYR A 14 -3.430 1.214 -6.466 1.00 0.00 O ATOM 0 H TYR A 14 -2.570 -2.160 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.023 -4.603 -3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.352 -3.200 -3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.887 -4.145 -4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.499 -3.249 -5.549 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.232 -0.922 -4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.465 -1.218 -6.586 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.195 1.114 -5.056 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.855 1.983 -6.273 1.00 0.00 H new ATOM 214 N GLU A 15 -1.889 -6.396 -2.527 1.00 0.00 N ATOM 215 CA GLU A 15 -1.279 -7.446 -1.663 1.00 0.00 C ATOM 216 C GLU A 15 0.249 -7.367 -1.736 1.00 0.00 C ATOM 217 O GLU A 15 0.807 -6.449 -2.303 1.00 0.00 O ATOM 218 CB GLU A 15 -1.723 -8.815 -2.156 1.00 0.00 C ATOM 219 CG GLU A 15 -3.110 -9.141 -1.598 1.00 0.00 C ATOM 220 CD GLU A 15 -4.172 -8.854 -2.663 1.00 0.00 C ATOM 221 OE1 GLU A 15 -4.421 -7.689 -2.923 1.00 0.00 O ATOM 222 OE2 GLU A 15 -4.716 -9.805 -3.200 1.00 0.00 O ATOM 0 H GLU A 15 -2.499 -6.743 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.600 -7.290 -0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.747 -8.829 -3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.007 -9.575 -1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.155 -10.188 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.304 -8.545 -0.706 1.00 0.00 H new ATOM 229 N CYS A 16 0.930 -8.332 -1.170 1.00 0.00 N ATOM 230 CA CYS A 16 2.421 -8.321 -1.214 1.00 0.00 C ATOM 231 C CYS A 16 2.965 -9.726 -0.945 1.00 0.00 C ATOM 232 O CYS A 16 2.239 -10.621 -0.562 1.00 0.00 O ATOM 233 CB CYS A 16 2.962 -7.355 -0.164 1.00 0.00 C ATOM 234 SG CYS A 16 2.681 -8.014 1.497 1.00 0.00 S ATOM 0 H CYS A 16 0.517 -9.125 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 16 2.742 -7.997 -2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.028 -7.193 -0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.474 -6.386 -0.266 1.00 0.00 H new ATOM 239 N LEU A 17 4.241 -9.923 -1.147 1.00 0.00 N ATOM 240 CA LEU A 17 4.838 -11.267 -0.910 1.00 0.00 C ATOM 241 C LEU A 17 6.243 -11.109 -0.321 1.00 0.00 C ATOM 242 O LEU A 17 6.619 -11.799 0.605 1.00 0.00 O ATOM 243 CB LEU A 17 4.927 -12.025 -2.237 1.00 0.00 C ATOM 244 CG LEU A 17 3.724 -11.668 -3.111 1.00 0.00 C ATOM 245 CD1 LEU A 17 4.039 -10.417 -3.934 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.415 -12.831 -4.058 1.00 0.00 C ATOM 0 H LEU A 17 4.895 -9.209 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 17 4.212 -11.823 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.853 -11.769 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.950 -13.099 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 17 2.861 -11.477 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.180 -10.165 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.258 -9.586 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.904 -10.608 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.557 -12.575 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.280 -13.023 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.187 -13.724 -3.476 1.00 0.00 H new ATOM 258 N LYS A 18 7.023 -10.209 -0.854 1.00 0.00 N ATOM 259 CA LYS A 18 8.403 -10.014 -0.326 1.00 0.00 C ATOM 260 C LYS A 18 8.661 -8.522 -0.097 1.00 0.00 C ATOM 261 O LYS A 18 7.763 -7.707 -0.165 1.00 0.00 O ATOM 262 CB LYS A 18 9.420 -10.559 -1.334 1.00 0.00 C ATOM 263 CG LYS A 18 9.383 -12.090 -1.329 1.00 0.00 C ATOM 264 CD LYS A 18 10.313 -12.621 -0.236 1.00 0.00 C ATOM 265 CE LYS A 18 11.279 -13.644 -0.839 1.00 0.00 C ATOM 266 NZ LYS A 18 12.539 -13.671 -0.042 1.00 0.00 N ATOM 0 H LYS A 18 6.765 -9.601 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 18 8.506 -10.548 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.194 -10.184 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.421 -10.209 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.365 -12.439 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.691 -12.475 -2.301 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.871 -11.799 0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.729 -13.082 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.820 -14.633 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.498 -13.386 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.195 -14.366 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.979 -12.729 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.323 -13.937 0.940 1.00 0.00 H new ATOM 280 N ASP A 19 9.884 -8.161 0.180 1.00 0.00 N ATOM 281 CA ASP A 19 10.204 -6.726 0.420 1.00 0.00 C ATOM 282 C ASP A 19 10.545 -6.046 -0.911 1.00 0.00 C ATOM 283 O ASP A 19 10.341 -4.861 -1.081 1.00 0.00 O ATOM 284 CB ASP A 19 11.401 -6.634 1.374 1.00 0.00 C ATOM 285 CG ASP A 19 11.989 -5.222 1.342 1.00 0.00 C ATOM 286 OD1 ASP A 19 12.591 -4.875 0.339 1.00 0.00 O ATOM 287 OD2 ASP A 19 11.831 -4.513 2.322 1.00 0.00 O ATOM 0 H ASP A 19 10.676 -8.799 0.250 1.00 0.00 H new ATOM 0 HA ASP A 19 9.344 -6.225 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.088 -6.884 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.162 -7.360 1.087 1.00 0.00 H new ATOM 292 N ASP A 20 11.069 -6.782 -1.856 1.00 0.00 N ATOM 293 CA ASP A 20 11.427 -6.180 -3.160 1.00 0.00 C ATOM 294 C ASP A 20 10.162 -5.864 -3.959 1.00 0.00 C ATOM 295 O ASP A 20 10.099 -4.876 -4.658 1.00 0.00 O ATOM 296 CB ASP A 20 12.284 -7.175 -3.931 1.00 0.00 C ATOM 297 CG ASP A 20 11.448 -8.405 -4.292 1.00 0.00 C ATOM 298 OD1 ASP A 20 10.636 -8.301 -5.198 1.00 0.00 O ATOM 299 OD2 ASP A 20 11.634 -9.429 -3.656 1.00 0.00 O ATOM 0 H ASP A 20 11.263 -7.780 -1.773 1.00 0.00 H new ATOM 0 HA ASP A 20 11.977 -5.253 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.673 -6.709 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.144 -7.471 -3.330 1.00 0.00 H new ATOM 304 N TYR A 21 9.152 -6.686 -3.868 1.00 0.00 N ATOM 305 CA TYR A 21 7.904 -6.398 -4.631 1.00 0.00 C ATOM 306 C TYR A 21 7.320 -5.081 -4.129 1.00 0.00 C ATOM 307 O TYR A 21 7.013 -4.188 -4.894 1.00 0.00 O ATOM 308 CB TYR A 21 6.883 -7.518 -4.405 1.00 0.00 C ATOM 309 CG TYR A 21 5.529 -7.079 -4.927 1.00 0.00 C ATOM 310 CD1 TYR A 21 5.342 -6.865 -6.299 1.00 0.00 C ATOM 311 CD2 TYR A 21 4.461 -6.882 -4.038 1.00 0.00 C ATOM 312 CE1 TYR A 21 4.091 -6.456 -6.781 1.00 0.00 C ATOM 313 CE2 TYR A 21 3.212 -6.472 -4.522 1.00 0.00 C ATOM 314 CZ TYR A 21 3.026 -6.259 -5.892 1.00 0.00 C ATOM 315 OH TYR A 21 1.795 -5.854 -6.367 1.00 0.00 O ATOM 0 H TYR A 21 9.136 -7.536 -3.305 1.00 0.00 H new ATOM 0 HA TYR A 21 8.132 -6.332 -5.695 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.204 -8.426 -4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.816 -7.755 -3.343 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.162 -7.015 -6.985 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.602 -7.047 -2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.948 -6.292 -7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.391 -6.320 -3.836 1.00 0.00 H new ATOM 0 HH TYR A 21 1.168 -5.766 -5.619 1.00 0.00 H new ATOM 325 N CYS A 22 7.164 -4.959 -2.840 1.00 0.00 N ATOM 326 CA CYS A 22 6.598 -3.709 -2.270 1.00 0.00 C ATOM 327 C CYS A 22 7.486 -2.528 -2.624 1.00 0.00 C ATOM 328 O CYS A 22 7.019 -1.519 -3.066 1.00 0.00 O ATOM 329 CB CYS A 22 6.527 -3.830 -0.756 1.00 0.00 C ATOM 330 SG CYS A 22 5.302 -5.078 -0.304 1.00 0.00 S ATOM 0 H CYS A 22 7.406 -5.676 -2.156 1.00 0.00 H new ATOM 0 HA CYS A 22 5.601 -3.553 -2.682 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.504 -4.103 -0.357 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.261 -2.869 -0.316 1.00 0.00 H new ATOM 335 N ASN A 23 8.759 -2.649 -2.423 1.00 0.00 N ATOM 336 CA ASN A 23 9.684 -1.527 -2.749 1.00 0.00 C ATOM 337 C ASN A 23 9.465 -1.101 -4.190 1.00 0.00 C ATOM 338 O ASN A 23 9.462 0.063 -4.518 1.00 0.00 O ATOM 339 CB ASN A 23 11.113 -2.037 -2.610 1.00 0.00 C ATOM 340 CG ASN A 23 12.102 -0.870 -2.551 1.00 0.00 C ATOM 341 OD1 ASN A 23 11.676 0.344 -2.749 1.00 0.00 O flip ATOM 342 ND2 ASN A 23 13.278 -1.067 -2.320 1.00 0.00 N flip ATOM 0 H ASN A 23 9.209 -3.482 -2.044 1.00 0.00 H new ATOM 0 HA ASN A 23 9.503 -0.684 -2.082 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.202 -2.641 -1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.357 -2.684 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.615 -2.017 -2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.929 -0.282 -2.282 1.00 0.00 H new ATOM 349 N ASP A 24 9.303 -2.053 -5.048 1.00 0.00 N ATOM 350 CA ASP A 24 9.094 -1.740 -6.493 1.00 0.00 C ATOM 351 C ASP A 24 7.748 -1.042 -6.680 1.00 0.00 C ATOM 352 O ASP A 24 7.680 0.150 -6.892 1.00 0.00 O ATOM 353 CB ASP A 24 9.097 -3.040 -7.298 1.00 0.00 C ATOM 354 CG ASP A 24 9.010 -2.717 -8.790 1.00 0.00 C ATOM 355 OD1 ASP A 24 7.922 -2.401 -9.245 1.00 0.00 O ATOM 356 OD2 ASP A 24 10.030 -2.791 -9.454 1.00 0.00 O ATOM 0 H ASP A 24 9.305 -3.047 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 24 9.895 -1.087 -6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.005 -3.607 -7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.255 -3.666 -7.001 1.00 0.00 H new ATOM 361 N LEU A 25 6.677 -1.781 -6.609 1.00 0.00 N ATOM 362 CA LEU A 25 5.327 -1.171 -6.782 1.00 0.00 C ATOM 363 C LEU A 25 5.274 0.144 -5.998 1.00 0.00 C ATOM 364 O LEU A 25 4.655 1.109 -6.401 1.00 0.00 O ATOM 365 CB LEU A 25 4.273 -2.150 -6.246 1.00 0.00 C ATOM 366 CG LEU A 25 2.928 -1.443 -6.064 1.00 0.00 C ATOM 367 CD1 LEU A 25 1.889 -2.086 -6.982 1.00 0.00 C ATOM 368 CD2 LEU A 25 2.469 -1.594 -4.612 1.00 0.00 C ATOM 0 H LEU A 25 6.677 -2.787 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 25 5.129 -0.968 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.161 -2.986 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.604 -2.565 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 25 3.037 -0.387 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.930 -1.584 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.212 -1.992 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.783 -3.141 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.511 -1.091 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.360 -2.652 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.209 -1.146 -3.948 1.00 0.00 H new ATOM 380 N CYS A 26 5.934 0.178 -4.883 1.00 0.00 N ATOM 381 CA CYS A 26 5.962 1.390 -4.039 1.00 0.00 C ATOM 382 C CYS A 26 6.649 2.525 -4.796 1.00 0.00 C ATOM 383 O CYS A 26 6.163 3.635 -4.857 1.00 0.00 O ATOM 384 CB CYS A 26 6.762 1.068 -2.775 1.00 0.00 C ATOM 385 SG CYS A 26 5.689 0.290 -1.533 1.00 0.00 S ATOM 0 H CYS A 26 6.470 -0.607 -4.513 1.00 0.00 H new ATOM 0 HA CYS A 26 4.948 1.696 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.589 0.402 -3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.197 1.981 -2.369 1.00 0.00 H new ATOM 390 N LEU A 27 7.788 2.249 -5.361 1.00 0.00 N ATOM 391 CA LEU A 27 8.535 3.288 -6.105 1.00 0.00 C ATOM 392 C LEU A 27 7.706 3.764 -7.305 1.00 0.00 C ATOM 393 O LEU A 27 7.749 4.920 -7.678 1.00 0.00 O ATOM 394 CB LEU A 27 9.901 2.706 -6.530 1.00 0.00 C ATOM 395 CG LEU A 27 9.953 2.449 -8.033 1.00 0.00 C ATOM 396 CD1 LEU A 27 10.398 3.723 -8.753 1.00 0.00 C ATOM 397 CD2 LEU A 27 10.948 1.321 -8.319 1.00 0.00 C ATOM 0 H LEU A 27 8.237 1.333 -5.337 1.00 0.00 H new ATOM 0 HA LEU A 27 8.717 4.159 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.696 3.397 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.084 1.775 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 27 8.964 2.160 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.435 3.540 -9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.689 4.525 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.387 4.014 -8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.988 1.134 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.937 1.610 -7.964 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.628 0.415 -7.805 1.00 0.00 H new ATOM 409 N GLU A 28 6.947 2.888 -7.908 1.00 0.00 N ATOM 410 CA GLU A 28 6.123 3.302 -9.068 1.00 0.00 C ATOM 411 C GLU A 28 5.010 4.230 -8.585 1.00 0.00 C ATOM 412 O GLU A 28 4.494 5.042 -9.328 1.00 0.00 O ATOM 413 CB GLU A 28 5.521 2.069 -9.749 1.00 0.00 C ATOM 414 CG GLU A 28 5.908 2.066 -11.230 1.00 0.00 C ATOM 415 CD GLU A 28 7.416 1.843 -11.360 1.00 0.00 C ATOM 416 OE1 GLU A 28 8.004 1.342 -10.416 1.00 0.00 O ATOM 417 OE2 GLU A 28 7.956 2.178 -12.401 1.00 0.00 O ATOM 0 H GLU A 28 6.866 1.906 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 28 6.747 3.828 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.881 1.161 -9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.436 2.076 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.366 1.281 -11.757 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.628 3.012 -11.692 1.00 0.00 H new ATOM 424 N ARG A 29 4.640 4.111 -7.344 1.00 0.00 N ATOM 425 CA ARG A 29 3.564 4.978 -6.798 1.00 0.00 C ATOM 426 C ARG A 29 4.151 6.297 -6.286 1.00 0.00 C ATOM 427 O ARG A 29 3.419 7.178 -5.896 1.00 0.00 O ATOM 428 CB ARG A 29 2.854 4.259 -5.649 1.00 0.00 C ATOM 429 CG ARG A 29 2.502 2.838 -6.085 1.00 0.00 C ATOM 430 CD ARG A 29 1.107 2.821 -6.715 1.00 0.00 C ATOM 431 NE ARG A 29 1.231 2.559 -8.178 1.00 0.00 N ATOM 432 CZ ARG A 29 0.182 2.218 -8.877 1.00 0.00 C ATOM 433 NH1 ARG A 29 -0.985 2.114 -8.301 1.00 0.00 N ATOM 434 NH2 ARG A 29 0.300 1.975 -10.154 1.00 0.00 N ATOM 0 H ARG A 29 5.039 3.447 -6.681 1.00 0.00 H new ATOM 0 HA ARG A 29 2.850 5.191 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.496 4.233 -4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.950 4.800 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.239 2.474 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.532 2.166 -5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.493 2.052 -6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.607 3.775 -6.546 1.00 0.00 H new ATOM 0 HE ARG A 29 2.139 2.647 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.079 2.299 -7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.803 1.847 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.211 2.051 -10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.519 1.709 -10.700 1.00 0.00 H new ATOM 448 N LYS A 30 5.463 6.419 -6.291 1.00 0.00 N ATOM 449 CA LYS A 30 6.162 7.669 -5.813 1.00 0.00 C ATOM 450 C LYS A 30 6.724 7.442 -4.411 1.00 0.00 C ATOM 451 O LYS A 30 7.375 8.301 -3.848 1.00 0.00 O ATOM 452 CB LYS A 30 5.214 8.886 -5.791 1.00 0.00 C ATOM 453 CG LYS A 30 4.435 8.948 -4.464 1.00 0.00 C ATOM 454 CD LYS A 30 5.006 10.051 -3.568 1.00 0.00 C ATOM 455 CE LYS A 30 5.006 11.379 -4.327 1.00 0.00 C ATOM 456 NZ LYS A 30 4.162 12.366 -3.595 1.00 0.00 N ATOM 0 H LYS A 30 6.096 5.687 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 30 6.969 7.883 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.789 9.803 -5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.516 8.824 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.380 9.139 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.495 7.987 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.411 10.140 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.020 9.796 -3.261 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.024 11.755 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.622 11.234 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.160 13.270 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.189 12.006 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.547 12.512 -2.640 1.00 0.00 H new ATOM 470 N ALA A 31 6.475 6.305 -3.837 1.00 0.00 N ATOM 471 CA ALA A 31 6.990 6.050 -2.469 1.00 0.00 C ATOM 472 C ALA A 31 8.505 5.900 -2.508 1.00 0.00 C ATOM 473 O ALA A 31 9.075 5.441 -3.478 1.00 0.00 O ATOM 474 CB ALA A 31 6.373 4.774 -1.913 1.00 0.00 C ATOM 0 H ALA A 31 5.939 5.543 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 31 6.723 6.891 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.755 4.593 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.289 4.881 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.632 3.934 -2.557 1.00 0.00 H new ATOM 480 N ASP A 32 9.159 6.285 -1.453 1.00 0.00 N ATOM 481 CA ASP A 32 10.624 6.176 -1.401 1.00 0.00 C ATOM 482 C ASP A 32 11.003 4.770 -0.950 1.00 0.00 C ATOM 483 O ASP A 32 11.872 4.135 -1.514 1.00 0.00 O ATOM 484 CB ASP A 32 11.145 7.192 -0.394 1.00 0.00 C ATOM 485 CG ASP A 32 12.506 7.719 -0.849 1.00 0.00 C ATOM 486 OD1 ASP A 32 12.796 7.613 -2.029 1.00 0.00 O ATOM 487 OD2 ASP A 32 13.235 8.221 -0.010 1.00 0.00 O ATOM 0 H ASP A 32 8.727 6.676 -0.616 1.00 0.00 H new ATOM 0 HA ASP A 32 11.056 6.369 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.439 8.017 -0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.233 6.731 0.590 1.00 0.00 H new ATOM 492 N LYS A 33 10.354 4.281 0.071 1.00 0.00 N ATOM 493 CA LYS A 33 10.676 2.913 0.572 1.00 0.00 C ATOM 494 C LYS A 33 9.383 2.179 0.945 1.00 0.00 C ATOM 495 O LYS A 33 8.438 2.774 1.421 1.00 0.00 O ATOM 496 CB LYS A 33 11.576 3.040 1.804 1.00 0.00 C ATOM 497 CG LYS A 33 11.765 1.674 2.466 1.00 0.00 C ATOM 498 CD LYS A 33 11.825 1.856 3.983 1.00 0.00 C ATOM 499 CE LYS A 33 13.236 1.534 4.478 1.00 0.00 C ATOM 500 NZ LYS A 33 14.225 2.337 3.704 1.00 0.00 N ATOM 0 H LYS A 33 9.616 4.768 0.580 1.00 0.00 H new ATOM 0 HA LYS A 33 11.190 2.345 -0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.544 3.449 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.135 3.738 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.943 1.010 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.682 1.206 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.559 2.879 4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.100 1.202 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.321 1.758 5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.441 0.470 4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.023 2.592 4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.574 1.777 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.769 3.203 3.351 1.00 0.00 H new ATOM 514 N GLY A 34 9.330 0.889 0.737 1.00 0.00 N ATOM 515 CA GLY A 34 8.092 0.137 1.091 1.00 0.00 C ATOM 516 C GLY A 34 8.375 -1.368 1.126 1.00 0.00 C ATOM 517 O GLY A 34 9.129 -1.888 0.327 1.00 0.00 O ATOM 0 H GLY A 34 10.084 0.328 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.723 0.467 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.309 0.350 0.363 1.00 0.00 H new ATOM 521 N TYR A 35 7.768 -2.074 2.047 1.00 0.00 N ATOM 522 CA TYR A 35 7.991 -3.546 2.130 1.00 0.00 C ATOM 523 C TYR A 35 6.654 -4.270 2.209 1.00 0.00 C ATOM 524 O TYR A 35 5.599 -3.673 2.158 1.00 0.00 O ATOM 525 CB TYR A 35 8.793 -3.892 3.380 1.00 0.00 C ATOM 526 CG TYR A 35 8.092 -3.334 4.595 1.00 0.00 C ATOM 527 CD1 TYR A 35 8.365 -2.032 5.025 1.00 0.00 C ATOM 528 CD2 TYR A 35 7.165 -4.121 5.292 1.00 0.00 C ATOM 529 CE1 TYR A 35 7.715 -1.516 6.152 1.00 0.00 C ATOM 530 CE2 TYR A 35 6.514 -3.605 6.419 1.00 0.00 C ATOM 531 CZ TYR A 35 6.789 -2.302 6.849 1.00 0.00 C ATOM 532 OH TYR A 35 6.148 -1.791 7.960 1.00 0.00 O ATOM 0 H TYR A 35 7.128 -1.693 2.744 1.00 0.00 H new ATOM 0 HA TYR A 35 8.538 -3.857 1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.897 -4.973 3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.799 -3.480 3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.078 -1.424 4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.953 -5.126 4.959 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.928 -0.511 6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.800 -4.212 6.956 1.00 0.00 H new ATOM 0 HH TYR A 35 6.545 -0.927 8.198 1.00 0.00 H new ATOM 542 N CYS A 36 6.705 -5.560 2.326 1.00 0.00 N ATOM 543 CA CYS A 36 5.463 -6.370 2.396 1.00 0.00 C ATOM 544 C CYS A 36 5.085 -6.659 3.846 1.00 0.00 C ATOM 545 O CYS A 36 5.701 -7.461 4.519 1.00 0.00 O ATOM 546 CB CYS A 36 5.722 -7.672 1.652 1.00 0.00 C ATOM 547 SG CYS A 36 4.427 -8.895 2.009 1.00 0.00 S ATOM 0 H CYS A 36 7.570 -6.099 2.377 1.00 0.00 H new ATOM 0 HA CYS A 36 4.634 -5.825 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.761 -7.481 0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.694 -8.072 1.940 1.00 0.00 H new ATOM 552 N TYR A 37 4.049 -6.021 4.319 1.00 0.00 N ATOM 553 CA TYR A 37 3.592 -6.265 5.710 1.00 0.00 C ATOM 554 C TYR A 37 2.716 -7.518 5.704 1.00 0.00 C ATOM 555 O TYR A 37 1.543 -7.476 5.356 1.00 0.00 O ATOM 556 CB TYR A 37 2.789 -5.057 6.202 1.00 0.00 C ATOM 557 CG TYR A 37 2.531 -5.183 7.687 1.00 0.00 C ATOM 558 CD1 TYR A 37 3.589 -5.040 8.594 1.00 0.00 C ATOM 559 CD2 TYR A 37 1.236 -5.437 8.158 1.00 0.00 C ATOM 560 CE1 TYR A 37 3.353 -5.152 9.970 1.00 0.00 C ATOM 561 CE2 TYR A 37 1.001 -5.549 9.535 1.00 0.00 C ATOM 562 CZ TYR A 37 2.060 -5.406 10.441 1.00 0.00 C ATOM 563 OH TYR A 37 1.827 -5.516 11.798 1.00 0.00 O ATOM 0 H TYR A 37 3.499 -5.339 3.797 1.00 0.00 H new ATOM 0 HA TYR A 37 4.442 -6.409 6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.336 -4.137 5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.843 -4.994 5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.587 -4.843 8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.419 -5.546 7.460 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.170 -5.042 10.668 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.003 -5.746 9.898 1.00 0.00 H new ATOM 0 HH TYR A 37 0.876 -5.692 11.953 1.00 0.00 H new ATOM 573 N TRP A 38 3.292 -8.639 6.056 1.00 0.00 N ATOM 574 CA TRP A 38 2.525 -9.914 6.052 1.00 0.00 C ATOM 575 C TRP A 38 1.314 -9.792 6.984 1.00 0.00 C ATOM 576 O TRP A 38 0.362 -9.112 6.663 1.00 0.00 O ATOM 577 CB TRP A 38 3.440 -11.069 6.483 1.00 0.00 C ATOM 578 CG TRP A 38 3.836 -11.862 5.280 1.00 0.00 C ATOM 579 CD1 TRP A 38 4.814 -11.526 4.408 1.00 0.00 C ATOM 580 CD2 TRP A 38 3.277 -13.119 4.804 1.00 0.00 C ATOM 581 NE1 TRP A 38 4.890 -12.500 3.425 1.00 0.00 N ATOM 582 CE2 TRP A 38 3.961 -13.502 3.628 1.00 0.00 C ATOM 583 CE3 TRP A 38 2.252 -13.955 5.279 1.00 0.00 C ATOM 584 CZ2 TRP A 38 3.636 -14.675 2.943 1.00 0.00 C ATOM 585 CZ3 TRP A 38 1.922 -15.135 4.594 1.00 0.00 C ATOM 586 CH2 TRP A 38 2.614 -15.495 3.429 1.00 0.00 C ATOM 0 H TRP A 38 4.266 -8.723 6.347 1.00 0.00 H new ATOM 0 HA TRP A 38 2.162 -10.122 5.045 1.00 0.00 H new ATOM 0 HB2 TRP A 38 4.326 -10.679 6.983 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.925 -11.708 7.200 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.434 -10.644 4.468 1.00 0.00 H new ATOM 0 HE1 TRP A 38 5.550 -12.480 2.648 1.00 0.00 H new ATOM 0 HE3 TRP A 38 1.715 -13.688 6.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 4.170 -14.946 2.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.131 -15.769 4.966 1.00 0.00 H new ATOM 0 HH2 TRP A 38 2.357 -16.405 2.908 1.00 0.00 H new ATOM 597 N GLY A 39 1.321 -10.442 8.126 1.00 0.00 N ATOM 598 CA GLY A 39 0.143 -10.349 9.035 1.00 0.00 C ATOM 599 C GLY A 39 -1.133 -10.460 8.199 1.00 0.00 C ATOM 600 O GLY A 39 -2.177 -9.960 8.568 1.00 0.00 O ATOM 0 H GLY A 39 2.087 -11.027 8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.177 -11.144 9.780 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.158 -9.404 9.577 1.00 0.00 H new ATOM 604 N LYS A 40 -1.048 -11.107 7.066 1.00 0.00 N ATOM 605 CA LYS A 40 -2.242 -11.243 6.191 1.00 0.00 C ATOM 606 C LYS A 40 -2.804 -9.852 5.900 1.00 0.00 C ATOM 607 O LYS A 40 -3.958 -9.572 6.162 1.00 0.00 O ATOM 608 CB LYS A 40 -3.302 -12.091 6.893 1.00 0.00 C ATOM 609 CG LYS A 40 -2.800 -13.531 7.019 1.00 0.00 C ATOM 610 CD LYS A 40 -3.495 -14.213 8.199 1.00 0.00 C ATOM 611 CE LYS A 40 -3.242 -15.721 8.137 1.00 0.00 C ATOM 612 NZ LYS A 40 -3.452 -16.316 9.486 1.00 0.00 N ATOM 0 H LYS A 40 -0.199 -11.547 6.711 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.961 -11.730 5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.516 -11.681 7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.234 -12.067 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.001 -14.079 6.099 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.720 -13.539 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.120 -13.809 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.566 -14.011 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.915 -16.184 7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.225 -15.916 7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.280 -17.341 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.793 -15.882 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.430 -16.141 9.794 1.00 0.00 H new ATOM 626 N VAL A 41 -1.998 -8.974 5.359 1.00 0.00 N ATOM 627 CA VAL A 41 -2.498 -7.606 5.057 1.00 0.00 C ATOM 628 C VAL A 41 -2.141 -7.221 3.611 1.00 0.00 C ATOM 629 O VAL A 41 -2.921 -7.443 2.707 1.00 0.00 O ATOM 630 CB VAL A 41 -1.909 -6.591 6.054 1.00 0.00 C ATOM 631 CG1 VAL A 41 -2.904 -5.448 6.265 1.00 0.00 C ATOM 632 CG2 VAL A 41 -1.650 -7.275 7.397 1.00 0.00 C ATOM 0 H VAL A 41 -1.023 -9.147 5.116 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.583 -7.594 5.159 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.973 -6.201 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.488 -4.729 6.971 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.096 -4.953 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.838 -5.847 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.233 -6.553 8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.587 -7.666 7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.945 -8.094 7.258 1.00 0.00 H new ATOM 642 N SER A 42 -0.991 -6.637 3.365 1.00 0.00 N ATOM 643 CA SER A 42 -0.661 -6.252 1.960 1.00 0.00 C ATOM 644 C SER A 42 0.757 -5.694 1.891 1.00 0.00 C ATOM 645 O SER A 42 1.562 -5.870 2.784 1.00 0.00 O ATOM 646 CB SER A 42 -1.642 -5.173 1.498 1.00 0.00 C ATOM 647 OG SER A 42 -2.589 -4.927 2.528 1.00 0.00 O ATOM 0 H SER A 42 -0.281 -6.415 4.063 1.00 0.00 H new ATOM 0 HA SER A 42 -0.734 -7.131 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.104 -4.256 1.256 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.151 -5.493 0.589 1.00 0.00 H new ATOM 0 HG SER A 42 -2.297 -4.161 3.065 1.00 0.00 H new ATOM 653 N CYS A 43 1.040 -4.980 0.840 1.00 0.00 N ATOM 654 CA CYS A 43 2.374 -4.347 0.686 1.00 0.00 C ATOM 655 C CYS A 43 2.422 -3.138 1.609 1.00 0.00 C ATOM 656 O CYS A 43 1.486 -2.864 2.333 1.00 0.00 O ATOM 657 CB CYS A 43 2.545 -3.865 -0.762 1.00 0.00 C ATOM 658 SG CYS A 43 3.795 -4.853 -1.630 1.00 0.00 S ATOM 0 H CYS A 43 0.393 -4.807 0.071 1.00 0.00 H new ATOM 0 HA CYS A 43 3.163 -5.059 0.929 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.592 -3.934 -1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.837 -2.815 -0.768 1.00 0.00 H new ATOM 663 N TYR A 44 3.485 -2.399 1.583 1.00 0.00 N ATOM 664 CA TYR A 44 3.552 -1.197 2.454 1.00 0.00 C ATOM 665 C TYR A 44 4.537 -0.196 1.876 1.00 0.00 C ATOM 666 O TYR A 44 5.700 -0.488 1.701 1.00 0.00 O ATOM 667 CB TYR A 44 3.999 -1.588 3.858 1.00 0.00 C ATOM 668 CG TYR A 44 3.405 -0.608 4.835 1.00 0.00 C ATOM 669 CD1 TYR A 44 3.941 0.680 4.959 1.00 0.00 C ATOM 670 CD2 TYR A 44 2.307 -0.985 5.608 1.00 0.00 C ATOM 671 CE1 TYR A 44 3.375 1.587 5.858 1.00 0.00 C ATOM 672 CE2 TYR A 44 1.740 -0.080 6.505 1.00 0.00 C ATOM 673 CZ TYR A 44 2.273 1.208 6.632 1.00 0.00 C ATOM 674 OH TYR A 44 1.712 2.101 7.520 1.00 0.00 O ATOM 0 H TYR A 44 4.306 -2.569 1.003 1.00 0.00 H new ATOM 0 HA TYR A 44 2.560 -0.748 2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.673 -2.602 4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.087 -1.580 3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.791 0.972 4.360 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.895 -1.979 5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.788 2.580 5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.889 -0.373 7.102 1.00 0.00 H new ATOM 0 HH TYR A 44 0.955 1.677 7.976 1.00 0.00 H new ATOM 684 N CYS A 45 4.086 0.990 1.583 1.00 0.00 N ATOM 685 CA CYS A 45 5.015 2.004 1.024 1.00 0.00 C ATOM 686 C CYS A 45 5.310 3.067 2.078 1.00 0.00 C ATOM 687 O CYS A 45 4.686 3.127 3.121 1.00 0.00 O ATOM 688 CB CYS A 45 4.390 2.676 -0.196 1.00 0.00 C ATOM 689 SG CYS A 45 4.029 1.439 -1.467 1.00 0.00 S ATOM 0 H CYS A 45 3.121 1.298 1.706 1.00 0.00 H new ATOM 0 HA CYS A 45 5.939 1.506 0.730 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.474 3.192 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.069 3.430 -0.594 1.00 0.00 H new ATOM 694 N TYR A 46 6.253 3.914 1.795 1.00 0.00 N ATOM 695 CA TYR A 46 6.618 5.000 2.743 1.00 0.00 C ATOM 696 C TYR A 46 6.965 6.241 1.920 1.00 0.00 C ATOM 697 O TYR A 46 8.034 6.331 1.341 1.00 0.00 O ATOM 698 CB TYR A 46 7.839 4.582 3.572 1.00 0.00 C ATOM 699 CG TYR A 46 7.454 3.516 4.574 1.00 0.00 C ATOM 700 CD1 TYR A 46 7.302 2.188 4.163 1.00 0.00 C ATOM 701 CD2 TYR A 46 7.254 3.857 5.916 1.00 0.00 C ATOM 702 CE1 TYR A 46 6.947 1.202 5.093 1.00 0.00 C ATOM 703 CE2 TYR A 46 6.898 2.874 6.847 1.00 0.00 C ATOM 704 CZ TYR A 46 6.742 1.546 6.436 1.00 0.00 C ATOM 705 OH TYR A 46 6.389 0.574 7.354 1.00 0.00 O ATOM 0 H TYR A 46 6.797 3.901 0.932 1.00 0.00 H new ATOM 0 HA TYR A 46 5.789 5.204 3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.622 4.206 2.914 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.248 5.448 4.092 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.458 1.922 3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.375 4.882 6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.831 0.176 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.744 3.141 7.882 1.00 0.00 H new ATOM 0 HH TYR A 46 6.138 -0.247 6.881 1.00 0.00 H new ATOM 715 N GLY A 47 6.068 7.190 1.851 1.00 0.00 N ATOM 716 CA GLY A 47 6.339 8.421 1.053 1.00 0.00 C ATOM 717 C GLY A 47 5.170 8.696 0.099 1.00 0.00 C ATOM 718 O GLY A 47 5.279 9.498 -0.807 1.00 0.00 O ATOM 0 H GLY A 47 5.159 7.165 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.483 9.272 1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.262 8.301 0.485 1.00 0.00 H new ATOM 722 N LEU A 48 4.052 8.045 0.293 1.00 0.00 N ATOM 723 CA LEU A 48 2.889 8.286 -0.606 1.00 0.00 C ATOM 724 C LEU A 48 2.337 9.690 -0.338 1.00 0.00 C ATOM 725 O LEU A 48 2.507 10.219 0.736 1.00 0.00 O ATOM 726 CB LEU A 48 1.805 7.243 -0.323 1.00 0.00 C ATOM 727 CG LEU A 48 2.398 5.840 -0.471 1.00 0.00 C ATOM 728 CD1 LEU A 48 1.308 4.798 -0.224 1.00 0.00 C ATOM 729 CD2 LEU A 48 2.955 5.670 -1.886 1.00 0.00 C ATOM 0 H LEU A 48 3.896 7.360 1.033 1.00 0.00 H new ATOM 0 HA LEU A 48 3.200 8.207 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.409 7.378 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.972 7.372 -1.013 1.00 0.00 H new ATOM 0 HG LEU A 48 3.200 5.705 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.730 3.798 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.910 4.920 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.506 4.932 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.378 4.671 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.153 5.804 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.732 6.414 -2.063 1.00 0.00 H new ATOM 741 N PRO A 49 1.692 10.252 -1.325 1.00 0.00 N ATOM 742 CA PRO A 49 1.108 11.600 -1.207 1.00 0.00 C ATOM 743 C PRO A 49 0.106 11.639 -0.050 1.00 0.00 C ATOM 744 O PRO A 49 -0.470 10.635 0.316 1.00 0.00 O ATOM 745 CB PRO A 49 0.402 11.839 -2.550 1.00 0.00 C ATOM 746 CG PRO A 49 0.680 10.609 -3.453 1.00 0.00 C ATOM 747 CD PRO A 49 1.486 9.594 -2.626 1.00 0.00 C ATOM 0 HA PRO A 49 1.856 12.365 -1.000 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.670 11.970 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.772 12.750 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.256 10.167 -3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.236 10.905 -4.342 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.944 8.655 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.436 9.358 -3.105 1.00 0.00 H new ATOM 755 N ASP A 50 -0.102 12.788 0.533 1.00 0.00 N ATOM 756 CA ASP A 50 -1.061 12.885 1.657 1.00 0.00 C ATOM 757 C ASP A 50 -2.412 12.341 1.213 1.00 0.00 C ATOM 758 O ASP A 50 -2.981 11.463 1.830 1.00 0.00 O ATOM 759 CB ASP A 50 -1.209 14.347 2.067 1.00 0.00 C ATOM 760 CG ASP A 50 -0.490 14.588 3.396 1.00 0.00 C ATOM 761 OD1 ASP A 50 -0.326 13.636 4.141 1.00 0.00 O ATOM 762 OD2 ASP A 50 -0.117 15.722 3.647 1.00 0.00 O ATOM 0 H ASP A 50 0.355 13.663 0.275 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.696 12.305 2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.793 14.995 1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.264 14.602 2.162 1.00 0.00 H new ATOM 767 N ASN A 51 -2.925 12.865 0.146 1.00 0.00 N ATOM 768 CA ASN A 51 -4.232 12.411 -0.363 1.00 0.00 C ATOM 769 C ASN A 51 -4.111 10.985 -0.901 1.00 0.00 C ATOM 770 O ASN A 51 -5.096 10.328 -1.173 1.00 0.00 O ATOM 771 CB ASN A 51 -4.678 13.352 -1.478 1.00 0.00 C ATOM 772 CG ASN A 51 -3.523 13.594 -2.450 1.00 0.00 C ATOM 773 OD1 ASN A 51 -2.471 13.001 -2.324 1.00 0.00 O ATOM 774 ND2 ASN A 51 -3.679 14.445 -3.427 1.00 0.00 N ATOM 0 H ASN A 51 -2.484 13.602 -0.404 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.967 12.420 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.528 12.923 -2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.012 14.299 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.917 14.612 -4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.563 14.943 -3.533 1.00 0.00 H new ATOM 781 N SER A 52 -2.908 10.506 -1.045 1.00 0.00 N ATOM 782 CA SER A 52 -2.698 9.119 -1.554 1.00 0.00 C ATOM 783 C SER A 52 -3.744 8.178 -0.937 1.00 0.00 C ATOM 784 O SER A 52 -3.689 7.891 0.243 1.00 0.00 O ATOM 785 CB SER A 52 -1.301 8.646 -1.153 1.00 0.00 C ATOM 786 OG SER A 52 -0.992 7.447 -1.852 1.00 0.00 O ATOM 0 H SER A 52 -2.053 11.019 -0.831 1.00 0.00 H new ATOM 0 HA SER A 52 -2.798 9.111 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.564 9.415 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.257 8.475 -0.077 1.00 0.00 H new ATOM 0 HG SER A 52 -0.996 6.693 -1.226 1.00 0.00 H new ATOM 792 N PRO A 53 -4.667 7.724 -1.753 1.00 0.00 N ATOM 793 CA PRO A 53 -5.735 6.813 -1.300 1.00 0.00 C ATOM 794 C PRO A 53 -5.137 5.523 -0.734 1.00 0.00 C ATOM 795 O PRO A 53 -4.601 4.704 -1.453 1.00 0.00 O ATOM 796 CB PRO A 53 -6.564 6.519 -2.559 1.00 0.00 C ATOM 797 CG PRO A 53 -5.955 7.338 -3.725 1.00 0.00 C ATOM 798 CD PRO A 53 -4.725 8.081 -3.182 1.00 0.00 C ATOM 0 HA PRO A 53 -6.339 7.251 -0.505 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -6.545 5.454 -2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.607 6.793 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.672 6.681 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -6.686 8.045 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.817 7.776 -3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.823 9.158 -3.317 1.00 0.00 H new ATOM 806 N THR A 54 -5.235 5.337 0.552 1.00 0.00 N ATOM 807 CA THR A 54 -4.689 4.102 1.181 1.00 0.00 C ATOM 808 C THR A 54 -5.732 3.548 2.157 1.00 0.00 C ATOM 809 O THR A 54 -6.613 4.262 2.596 1.00 0.00 O ATOM 810 CB THR A 54 -3.403 4.440 1.941 1.00 0.00 C ATOM 811 OG1 THR A 54 -3.731 5.122 3.142 1.00 0.00 O ATOM 812 CG2 THR A 54 -2.509 5.329 1.074 1.00 0.00 C ATOM 0 H THR A 54 -5.673 5.992 1.199 1.00 0.00 H new ATOM 0 HA THR A 54 -4.465 3.360 0.414 1.00 0.00 H new ATOM 0 HB THR A 54 -2.870 3.519 2.178 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.909 5.338 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.595 5.567 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.256 4.803 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.038 6.251 0.832 1.00 0.00 H new ATOM 820 N LYS A 55 -5.645 2.292 2.508 1.00 0.00 N ATOM 821 CA LYS A 55 -6.639 1.724 3.458 1.00 0.00 C ATOM 822 C LYS A 55 -6.793 2.700 4.628 1.00 0.00 C ATOM 823 O LYS A 55 -5.838 3.010 5.312 1.00 0.00 O ATOM 824 CB LYS A 55 -6.146 0.354 3.962 1.00 0.00 C ATOM 825 CG LYS A 55 -6.743 0.042 5.340 1.00 0.00 C ATOM 826 CD LYS A 55 -8.269 0.079 5.254 1.00 0.00 C ATOM 827 CE LYS A 55 -8.745 -0.942 4.219 1.00 0.00 C ATOM 828 NZ LYS A 55 -9.462 -0.236 3.120 1.00 0.00 N ATOM 0 H LYS A 55 -4.932 1.640 2.179 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.602 1.583 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.428 -0.424 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.058 0.352 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.411 -0.939 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.392 0.768 6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.705 -0.144 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.604 1.078 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.894 -1.493 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.405 -1.672 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.874 -0.935 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.220 0.352 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.793 0.368 2.601 1.00 0.00 H new ATOM 842 N THR A 56 -7.973 3.208 4.857 1.00 0.00 N ATOM 843 CA THR A 56 -8.138 4.178 5.973 1.00 0.00 C ATOM 844 C THR A 56 -9.614 4.394 6.296 1.00 0.00 C ATOM 845 O THR A 56 -10.069 4.131 7.391 1.00 0.00 O ATOM 846 CB THR A 56 -7.508 5.509 5.553 1.00 0.00 C ATOM 847 OG1 THR A 56 -6.097 5.424 5.692 1.00 0.00 O ATOM 848 CG2 THR A 56 -8.042 6.641 6.431 1.00 0.00 C ATOM 0 H THR A 56 -8.819 2.997 4.327 1.00 0.00 H new ATOM 0 HA THR A 56 -7.650 3.784 6.865 1.00 0.00 H new ATOM 0 HB THR A 56 -7.764 5.716 4.514 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.848 4.512 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.588 7.584 6.125 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.124 6.707 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.794 6.441 7.473 1.00 0.00 H new ATOM 856 N SER A 57 -10.338 4.923 5.361 1.00 0.00 N ATOM 857 CA SER A 57 -11.776 5.221 5.589 1.00 0.00 C ATOM 858 C SER A 57 -12.638 3.964 5.449 1.00 0.00 C ATOM 859 O SER A 57 -13.684 3.988 4.831 1.00 0.00 O ATOM 860 CB SER A 57 -12.242 6.268 4.578 1.00 0.00 C ATOM 861 OG SER A 57 -12.751 5.612 3.424 1.00 0.00 O ATOM 0 H SER A 57 -9.992 5.167 4.433 1.00 0.00 H new ATOM 0 HA SER A 57 -11.888 5.599 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.012 6.900 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.413 6.920 4.304 1.00 0.00 H new ATOM 0 HG SER A 57 -13.606 5.184 3.641 1.00 0.00 H new ATOM 867 N GLY A 58 -12.229 2.874 6.033 1.00 0.00 N ATOM 868 CA GLY A 58 -13.053 1.637 5.943 1.00 0.00 C ATOM 869 C GLY A 58 -12.289 0.539 5.203 1.00 0.00 C ATOM 870 O GLY A 58 -11.101 0.638 4.966 1.00 0.00 O ATOM 0 H GLY A 58 -11.364 2.785 6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.316 1.294 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.987 1.852 5.424 1.00 0.00 H new ATOM 874 N LYS A 59 -12.974 -0.512 4.841 1.00 0.00 N ATOM 875 CA LYS A 59 -12.314 -1.635 4.119 1.00 0.00 C ATOM 876 C LYS A 59 -12.540 -1.476 2.610 1.00 0.00 C ATOM 877 O LYS A 59 -12.632 -0.376 2.103 1.00 0.00 O ATOM 878 CB LYS A 59 -12.924 -2.953 4.593 1.00 0.00 C ATOM 879 CG LYS A 59 -14.413 -2.969 4.241 1.00 0.00 C ATOM 880 CD LYS A 59 -14.714 -4.169 3.344 1.00 0.00 C ATOM 881 CE LYS A 59 -15.627 -5.141 4.090 1.00 0.00 C ATOM 882 NZ LYS A 59 -16.462 -5.889 3.110 1.00 0.00 N ATOM 0 H LYS A 59 -13.971 -0.641 5.016 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.243 -1.630 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.417 -3.794 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.790 -3.064 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.012 -3.023 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.687 -2.044 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.192 -3.838 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.787 -4.667 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.031 -5.836 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.265 -4.596 4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -17.084 -6.551 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -17.041 -5.219 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.845 -6.420 2.463 1.00 0.00 H new ATOM 896 N CYS A 60 -12.621 -2.562 1.887 1.00 0.00 N ATOM 897 CA CYS A 60 -12.831 -2.464 0.413 1.00 0.00 C ATOM 898 C CYS A 60 -14.244 -2.938 0.050 1.00 0.00 C ATOM 899 O CYS A 60 -14.555 -4.111 0.120 1.00 0.00 O ATOM 900 CB CYS A 60 -11.797 -3.343 -0.298 1.00 0.00 C ATOM 901 SG CYS A 60 -11.462 -2.680 -1.950 1.00 0.00 S ATOM 0 H CYS A 60 -12.551 -3.511 2.253 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.716 -1.427 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.876 -3.379 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.166 -4.366 -0.374 1.00 0.00 H new ATOM 906 N ASN A 61 -15.102 -2.033 -0.338 1.00 0.00 N ATOM 907 CA ASN A 61 -16.487 -2.416 -0.707 1.00 0.00 C ATOM 908 C ASN A 61 -16.489 -3.108 -2.076 1.00 0.00 C ATOM 909 O ASN A 61 -15.688 -2.786 -2.931 1.00 0.00 O ATOM 910 CB ASN A 61 -17.339 -1.150 -0.779 1.00 0.00 C ATOM 911 CG ASN A 61 -16.849 -0.135 0.257 1.00 0.00 C ATOM 912 OD1 ASN A 61 -16.667 -0.469 1.410 1.00 0.00 O ATOM 913 ND2 ASN A 61 -16.622 1.098 -0.109 1.00 0.00 N ATOM 0 H ASN A 61 -14.897 -1.037 -0.414 1.00 0.00 H new ATOM 0 HA ASN A 61 -16.891 -3.102 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -17.283 -0.719 -1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -18.385 -1.394 -0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.292 1.780 0.574 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.775 1.379 -1.078 1.00 0.00 H new ATOM 920 N PRO A 62 -17.395 -4.043 -2.242 1.00 0.00 N ATOM 921 CA PRO A 62 -17.524 -4.800 -3.503 1.00 0.00 C ATOM 922 C PRO A 62 -17.948 -3.865 -4.642 1.00 0.00 C ATOM 923 O PRO A 62 -19.114 -3.566 -4.811 1.00 0.00 O ATOM 924 CB PRO A 62 -18.621 -5.839 -3.226 1.00 0.00 C ATOM 925 CG PRO A 62 -19.154 -5.591 -1.791 1.00 0.00 C ATOM 926 CD PRO A 62 -18.354 -4.424 -1.189 1.00 0.00 C ATOM 0 HA PRO A 62 -16.585 -5.264 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -19.427 -5.748 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -18.222 -6.849 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -20.218 -5.354 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -19.041 -6.487 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -19.006 -3.591 -0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -17.840 -4.726 -0.276 1.00 0.00 H new ATOM 934 N ALA A 63 -17.011 -3.402 -5.424 1.00 0.00 N ATOM 935 CA ALA A 63 -17.360 -2.488 -6.550 1.00 0.00 C ATOM 936 C ALA A 63 -16.316 -2.623 -7.661 1.00 0.00 C ATOM 937 O ALA A 63 -16.624 -3.244 -8.665 1.00 0.00 O ATOM 938 CB ALA A 63 -17.381 -1.044 -6.045 1.00 0.00 C ATOM 939 OXT ALA A 63 -15.226 -2.102 -7.489 1.00 0.00 O ATOM 0 H ALA A 63 -16.018 -3.617 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.343 -2.752 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -17.636 -0.375 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -18.124 -0.946 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -16.398 -0.781 -5.654 1.00 0.00 H new TER 945 ALA A 63