USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.0343! (180deg=-0.711!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.11) USER MOD Single : A 4 TYR OH : rot -73:sc= 1.22 USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00144 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc=-0.00666 USER MOD Single : A 13 TYR OH : rot -13:sc= 0.977 USER MOD Single : A 14 ASN : amide:sc= -0.431 K(o=-0.43,f=-7.2!) USER MOD Single : A 22 ASN : amide:sc= -0.817 K(o=-0.82,f=-2.3!) USER MOD Single : A 25 ASN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 28 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -0.101 (180deg=-0.896!) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 2.38 (180deg=1.58) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.954 0.293 9.435 1.00 0.00 N ATOM 2 CA MET A 1 -4.800 0.780 10.212 1.00 0.00 C ATOM 3 C MET A 1 -3.742 -0.302 10.148 1.00 0.00 C ATOM 4 O MET A 1 -4.001 -1.344 9.561 1.00 0.00 O ATOM 5 CB MET A 1 -4.250 2.138 9.733 1.00 0.00 C ATOM 6 CG MET A 1 -5.178 3.285 10.132 1.00 0.00 C ATOM 7 SD MET A 1 -4.865 4.895 9.353 1.00 0.00 S ATOM 8 CE MET A 1 -3.441 5.470 10.309 1.00 0.00 C ATOM 0 H1 MET A 1 -6.793 0.862 9.666 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.748 0.376 8.419 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.136 -0.703 9.671 1.00 0.00 H new ATOM 0 HA MET A 1 -5.117 0.971 11.237 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.261 2.303 10.159 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.132 2.123 8.650 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.202 2.990 9.903 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.117 3.412 11.213 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.131 6.450 9.947 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.715 5.542 11.362 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.618 4.765 10.196 1.00 0.00 H new ATOM 20 N LYS A 2 -2.609 -0.046 10.792 1.00 0.00 N ATOM 21 CA LYS A 2 -1.394 -0.839 10.752 1.00 0.00 C ATOM 22 C LYS A 2 -0.778 -0.918 9.356 1.00 0.00 C ATOM 23 O LYS A 2 -1.392 -0.569 8.350 1.00 0.00 O ATOM 24 CB LYS A 2 -1.634 -2.241 11.290 1.00 0.00 C ATOM 25 CG LYS A 2 -2.426 -2.264 12.599 1.00 0.00 C ATOM 26 CD LYS A 2 -2.241 -3.682 13.128 1.00 0.00 C ATOM 27 CE LYS A 2 -3.388 -4.198 14.001 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.382 -3.570 15.334 1.00 0.00 N ATOM 0 H LYS A 2 -2.512 0.773 11.392 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.680 -0.323 11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.170 -2.823 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.673 -2.731 11.447 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.049 -1.524 13.305 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.479 -2.037 12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.116 -4.357 12.281 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.318 -3.721 13.706 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.339 -3.997 13.508 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.306 -5.280 14.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.172 -3.944 15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.484 -3.782 15.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.485 -2.540 15.233 1.00 0.00 H new ATOM 42 N LYS A 3 0.474 -1.363 9.315 1.00 0.00 N ATOM 43 CA LYS A 3 1.244 -1.479 8.098 1.00 0.00 C ATOM 44 C LYS A 3 0.796 -2.730 7.358 1.00 0.00 C ATOM 45 O LYS A 3 0.149 -3.593 7.949 1.00 0.00 O ATOM 46 CB LYS A 3 2.730 -1.476 8.469 1.00 0.00 C ATOM 47 CG LYS A 3 3.034 -0.192 9.251 1.00 0.00 C ATOM 48 CD LYS A 3 4.491 -0.089 9.717 1.00 0.00 C ATOM 49 CE LYS A 3 4.599 0.974 10.825 1.00 0.00 C ATOM 50 NZ LYS A 3 5.965 1.081 11.369 1.00 0.00 N ATOM 0 H LYS A 3 0.985 -1.657 10.148 1.00 0.00 H new ATOM 0 HA LYS A 3 1.082 -0.640 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.972 -2.352 9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.345 -1.527 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.800 0.669 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.379 -0.142 10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.835 -1.054 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.135 0.177 8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.292 1.942 10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.908 0.727 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.011 1.876 12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.212 0.199 11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.637 1.243 10.592 1.00 0.00 H new ATOM 64 N TYR A 4 1.131 -2.825 6.074 1.00 0.00 N ATOM 65 CA TYR A 4 0.842 -4.009 5.262 1.00 0.00 C ATOM 66 C TYR A 4 2.037 -4.333 4.377 1.00 0.00 C ATOM 67 O TYR A 4 2.649 -3.411 3.842 1.00 0.00 O ATOM 68 CB TYR A 4 -0.413 -3.851 4.380 1.00 0.00 C ATOM 69 CG TYR A 4 -1.747 -3.989 5.091 1.00 0.00 C ATOM 70 CD1 TYR A 4 -2.133 -3.100 6.108 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.588 -5.069 4.773 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.201 -3.436 6.956 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.709 -5.356 5.566 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.968 -4.584 6.709 1.00 0.00 C ATOM 75 OH TYR A 4 -4.984 -4.935 7.545 1.00 0.00 O ATOM 0 H TYR A 4 1.611 -2.083 5.564 1.00 0.00 H new ATOM 0 HA TYR A 4 0.645 -4.823 5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.377 -2.871 3.904 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.369 -4.594 3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.611 -2.163 6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.370 -5.683 3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.433 -2.807 7.803 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.370 -6.167 5.298 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.613 -5.278 8.385 1.00 0.00 H new ATOM 85 N THR A 5 2.362 -5.620 4.206 1.00 0.00 N ATOM 86 CA THR A 5 3.408 -6.024 3.263 1.00 0.00 C ATOM 87 C THR A 5 2.823 -6.302 1.874 1.00 0.00 C ATOM 88 O THR A 5 1.617 -6.519 1.745 1.00 0.00 O ATOM 89 CB THR A 5 4.251 -7.185 3.812 1.00 0.00 C ATOM 90 OG1 THR A 5 5.392 -7.361 2.994 1.00 0.00 O ATOM 91 CG2 THR A 5 3.469 -8.495 3.910 1.00 0.00 C ATOM 0 H THR A 5 1.919 -6.392 4.704 1.00 0.00 H new ATOM 0 HA THR A 5 4.098 -5.189 3.143 1.00 0.00 H new ATOM 0 HB THR A 5 4.547 -6.922 4.828 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.933 -8.100 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.118 -9.277 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.616 -8.361 4.576 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.115 -8.782 2.920 1.00 0.00 H new ATOM 99 N CYS A 6 3.694 -6.275 0.858 1.00 0.00 N ATOM 100 CA CYS A 6 3.388 -6.600 -0.530 1.00 0.00 C ATOM 101 C CYS A 6 3.418 -8.127 -0.662 1.00 0.00 C ATOM 102 O CYS A 6 2.674 -8.815 0.034 1.00 0.00 O ATOM 103 CB CYS A 6 4.344 -5.837 -1.439 1.00 0.00 C ATOM 104 SG CYS A 6 4.103 -6.133 -3.226 1.00 0.00 S ATOM 0 H CYS A 6 4.671 -6.014 0.992 1.00 0.00 H new ATOM 0 HA CYS A 6 2.393 -6.284 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.235 -4.770 -1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.367 -6.106 -1.175 1.00 0.00 H new ATOM 109 N THR A 7 4.270 -8.680 -1.526 1.00 0.00 N ATOM 110 CA THR A 7 4.319 -10.107 -1.791 1.00 0.00 C ATOM 111 C THR A 7 5.664 -10.488 -2.424 1.00 0.00 C ATOM 112 O THR A 7 6.291 -11.448 -1.981 1.00 0.00 O ATOM 113 CB THR A 7 3.078 -10.531 -2.607 1.00 0.00 C ATOM 114 OG1 THR A 7 2.972 -11.937 -2.659 1.00 0.00 O ATOM 115 CG2 THR A 7 3.051 -9.982 -4.037 1.00 0.00 C ATOM 0 H THR A 7 4.949 -8.140 -2.063 1.00 0.00 H new ATOM 0 HA THR A 7 4.271 -10.672 -0.860 1.00 0.00 H new ATOM 0 HB THR A 7 2.229 -10.097 -2.079 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.179 -12.186 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.148 -10.326 -4.542 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.058 -8.892 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.927 -10.337 -4.580 1.00 0.00 H new ATOM 123 N VAL A 8 6.130 -9.729 -3.426 1.00 0.00 N ATOM 124 CA VAL A 8 7.399 -9.985 -4.108 1.00 0.00 C ATOM 125 C VAL A 8 8.478 -8.991 -3.666 1.00 0.00 C ATOM 126 O VAL A 8 9.466 -9.384 -3.051 1.00 0.00 O ATOM 127 CB VAL A 8 7.207 -10.075 -5.639 1.00 0.00 C ATOM 128 CG1 VAL A 8 6.292 -9.009 -6.263 1.00 0.00 C ATOM 129 CG2 VAL A 8 8.558 -10.072 -6.369 1.00 0.00 C ATOM 0 H VAL A 8 5.631 -8.916 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 8 7.767 -10.965 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 8 6.691 -11.025 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.230 -9.168 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.296 -9.084 -5.827 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.701 -8.018 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.391 -10.136 -7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.094 -9.151 -6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.150 -10.927 -6.042 1.00 0.00 H new ATOM 139 N CYS A 9 8.311 -7.713 -4.002 1.00 0.00 N ATOM 140 CA CYS A 9 9.285 -6.667 -3.715 1.00 0.00 C ATOM 141 C CYS A 9 9.382 -6.420 -2.210 1.00 0.00 C ATOM 142 O CYS A 9 10.466 -6.200 -1.675 1.00 0.00 O ATOM 143 CB CYS A 9 8.890 -5.423 -4.468 1.00 0.00 C ATOM 144 SG CYS A 9 7.112 -5.096 -4.277 1.00 0.00 S ATOM 0 H CYS A 9 7.482 -7.372 -4.489 1.00 0.00 H new ATOM 0 HA CYS A 9 10.277 -6.976 -4.045 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.463 -4.572 -4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.132 -5.539 -5.524 1.00 0.00 H new ATOM 149 N GLY A 10 8.237 -6.466 -1.528 1.00 0.00 N ATOM 150 CA GLY A 10 8.155 -6.271 -0.093 1.00 0.00 C ATOM 151 C GLY A 10 8.128 -4.787 0.266 1.00 0.00 C ATOM 152 O GLY A 10 8.572 -4.408 1.351 1.00 0.00 O ATOM 0 H GLY A 10 7.334 -6.642 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.258 -6.756 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.007 -6.749 0.390 1.00 0.00 H new ATOM 156 N TYR A 11 7.562 -3.945 -0.607 1.00 0.00 N ATOM 157 CA TYR A 11 7.267 -2.563 -0.258 1.00 0.00 C ATOM 158 C TYR A 11 6.193 -2.531 0.830 1.00 0.00 C ATOM 159 O TYR A 11 5.001 -2.446 0.548 1.00 0.00 O ATOM 160 CB TYR A 11 6.866 -1.752 -1.498 1.00 0.00 C ATOM 161 CG TYR A 11 8.055 -1.173 -2.240 1.00 0.00 C ATOM 162 CD1 TYR A 11 8.707 -0.037 -1.727 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.546 -1.789 -3.403 1.00 0.00 C ATOM 164 CE1 TYR A 11 9.886 0.432 -2.329 1.00 0.00 C ATOM 165 CE2 TYR A 11 9.742 -1.341 -3.988 1.00 0.00 C ATOM 166 CZ TYR A 11 10.419 -0.240 -3.442 1.00 0.00 C ATOM 167 OH TYR A 11 11.609 0.159 -3.973 1.00 0.00 O ATOM 0 H TYR A 11 7.302 -4.203 -1.559 1.00 0.00 H new ATOM 0 HA TYR A 11 8.166 -2.090 0.139 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.299 -2.391 -2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.204 -0.941 -1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.300 0.476 -0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.003 -2.609 -3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.382 1.308 -1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.140 -1.844 -4.857 1.00 0.00 H new ATOM 0 HH TYR A 11 11.834 -0.412 -4.737 1.00 0.00 H new ATOM 177 N ILE A 12 6.633 -2.608 2.088 1.00 0.00 N ATOM 178 CA ILE A 12 5.773 -2.432 3.246 1.00 0.00 C ATOM 179 C ILE A 12 5.099 -1.062 3.171 1.00 0.00 C ATOM 180 O ILE A 12 5.750 -0.030 3.323 1.00 0.00 O ATOM 181 CB ILE A 12 6.556 -2.673 4.553 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.765 -4.196 4.676 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.811 -2.109 5.780 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.783 -4.605 5.742 1.00 0.00 C ATOM 0 H ILE A 12 7.607 -2.796 2.327 1.00 0.00 H new ATOM 0 HA ILE A 12 4.979 -3.178 3.244 1.00 0.00 H new ATOM 0 HB ILE A 12 7.513 -2.152 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.808 -4.665 4.904 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.089 -4.586 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.396 -2.299 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.671 -1.035 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.839 -2.594 5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.871 -5.691 5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.753 -4.167 5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.452 -4.248 6.717 1.00 0.00 H new ATOM 196 N TYR A 13 3.787 -1.070 2.948 1.00 0.00 N ATOM 197 CA TYR A 13 2.960 0.114 2.986 1.00 0.00 C ATOM 198 C TYR A 13 2.794 0.514 4.451 1.00 0.00 C ATOM 199 O TYR A 13 2.479 -0.337 5.289 1.00 0.00 O ATOM 200 CB TYR A 13 1.609 -0.200 2.335 1.00 0.00 C ATOM 201 CG TYR A 13 0.614 0.933 2.462 1.00 0.00 C ATOM 202 CD1 TYR A 13 -0.091 1.107 3.662 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.446 1.856 1.421 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.918 2.228 3.841 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.256 3.053 1.657 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.938 3.248 2.872 1.00 0.00 C ATOM 207 OH TYR A 13 -1.762 4.329 3.016 1.00 0.00 O ATOM 0 H TYR A 13 3.267 -1.921 2.732 1.00 0.00 H new ATOM 0 HA TYR A 13 3.412 0.939 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.764 -0.424 1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.191 -1.096 2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.002 0.376 4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.853 1.650 0.442 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.538 2.307 4.722 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.271 3.825 0.902 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.415 4.150 3.724 1.00 0.00 H new ATOM 217 N ASN A 14 2.973 1.804 4.749 1.00 0.00 N ATOM 218 CA ASN A 14 2.806 2.368 6.080 1.00 0.00 C ATOM 219 C ASN A 14 1.748 3.463 6.046 1.00 0.00 C ATOM 220 O ASN A 14 1.980 4.499 5.434 1.00 0.00 O ATOM 221 CB ASN A 14 4.147 2.917 6.573 1.00 0.00 C ATOM 222 CG ASN A 14 4.063 3.414 8.008 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.058 3.242 8.689 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.140 3.992 8.505 1.00 0.00 N ATOM 0 H ASN A 14 3.244 2.497 4.051 1.00 0.00 H new ATOM 0 HA ASN A 14 2.473 1.593 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.906 2.138 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.466 3.733 5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.148 4.307 9.475 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.964 4.124 7.919 1.00 0.00 H new ATOM 231 N PRO A 15 0.584 3.282 6.686 1.00 0.00 N ATOM 232 CA PRO A 15 -0.515 4.217 6.538 1.00 0.00 C ATOM 233 C PRO A 15 -0.163 5.590 7.048 1.00 0.00 C ATOM 234 O PRO A 15 -0.533 6.572 6.419 1.00 0.00 O ATOM 235 CB PRO A 15 -1.707 3.632 7.291 1.00 0.00 C ATOM 236 CG PRO A 15 -1.076 2.620 8.241 1.00 0.00 C ATOM 237 CD PRO A 15 0.246 2.210 7.603 1.00 0.00 C ATOM 0 HA PRO A 15 -0.753 4.349 5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.255 4.403 7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.415 3.156 6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.914 3.058 9.226 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.727 1.756 8.379 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.022 2.080 8.357 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.150 1.260 7.077 1.00 0.00 H new ATOM 245 N GLU A 16 0.570 5.669 8.154 1.00 0.00 N ATOM 246 CA GLU A 16 0.962 6.938 8.727 1.00 0.00 C ATOM 247 C GLU A 16 1.773 7.766 7.727 1.00 0.00 C ATOM 248 O GLU A 16 1.664 8.990 7.700 1.00 0.00 O ATOM 249 CB GLU A 16 1.726 6.661 10.018 1.00 0.00 C ATOM 250 CG GLU A 16 0.823 5.914 11.014 1.00 0.00 C ATOM 251 CD GLU A 16 1.360 5.989 12.435 1.00 0.00 C ATOM 252 OE1 GLU A 16 1.292 7.100 13.003 1.00 0.00 O ATOM 253 OE2 GLU A 16 1.813 4.935 12.927 1.00 0.00 O ATOM 0 H GLU A 16 0.904 4.856 8.671 1.00 0.00 H new ATOM 0 HA GLU A 16 0.083 7.538 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.615 6.067 9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.067 7.599 10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.181 6.338 10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.737 4.870 10.713 1.00 0.00 H new ATOM 260 N ASP A 17 2.538 7.078 6.876 1.00 0.00 N ATOM 261 CA ASP A 17 3.336 7.702 5.825 1.00 0.00 C ATOM 262 C ASP A 17 2.491 7.872 4.560 1.00 0.00 C ATOM 263 O ASP A 17 2.693 8.804 3.782 1.00 0.00 O ATOM 264 CB ASP A 17 4.553 6.822 5.518 1.00 0.00 C ATOM 265 CG ASP A 17 5.574 6.714 6.643 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.732 7.700 7.392 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.191 5.628 6.739 1.00 0.00 O ATOM 0 H ASP A 17 2.620 6.062 6.900 1.00 0.00 H new ATOM 0 HA ASP A 17 3.672 8.683 6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.203 5.820 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.052 7.215 4.632 1.00 0.00 H new ATOM 272 N GLY A 18 1.544 6.957 4.341 1.00 0.00 N ATOM 273 CA GLY A 18 0.846 6.794 3.086 1.00 0.00 C ATOM 274 C GLY A 18 1.811 6.368 1.981 1.00 0.00 C ATOM 275 O GLY A 18 2.882 5.829 2.252 1.00 0.00 O ATOM 0 H GLY A 18 1.241 6.297 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.060 6.047 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.360 7.730 2.810 1.00 0.00 H new ATOM 279 N ASP A 19 1.420 6.633 0.734 1.00 0.00 N ATOM 280 CA ASP A 19 2.244 6.490 -0.458 1.00 0.00 C ATOM 281 C ASP A 19 1.899 7.658 -1.401 1.00 0.00 C ATOM 282 O ASP A 19 1.386 7.454 -2.508 1.00 0.00 O ATOM 283 CB ASP A 19 2.018 5.090 -1.079 1.00 0.00 C ATOM 284 CG ASP A 19 3.220 4.166 -0.911 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.322 4.585 -1.327 1.00 0.00 O ATOM 286 OD2 ASP A 19 3.000 3.037 -0.426 1.00 0.00 O ATOM 0 H ASP A 19 0.480 6.967 0.522 1.00 0.00 H new ATOM 0 HA ASP A 19 3.310 6.544 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.145 4.630 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.796 5.200 -2.140 1.00 0.00 H new ATOM 291 N PRO A 20 2.126 8.912 -0.970 1.00 0.00 N ATOM 292 CA PRO A 20 1.641 10.086 -1.681 1.00 0.00 C ATOM 293 C PRO A 20 2.242 10.171 -3.079 1.00 0.00 C ATOM 294 O PRO A 20 1.560 10.583 -4.014 1.00 0.00 O ATOM 295 CB PRO A 20 2.004 11.298 -0.818 1.00 0.00 C ATOM 296 CG PRO A 20 3.125 10.787 0.087 1.00 0.00 C ATOM 297 CD PRO A 20 2.800 9.304 0.258 1.00 0.00 C ATOM 0 HA PRO A 20 0.562 10.041 -1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.336 12.138 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.149 11.645 -0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.105 10.933 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.137 11.308 1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.706 8.719 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.162 9.139 1.126 1.00 0.00 H new ATOM 305 N ASP A 21 3.492 9.726 -3.231 1.00 0.00 N ATOM 306 CA ASP A 21 4.229 9.700 -4.479 1.00 0.00 C ATOM 307 C ASP A 21 3.459 8.915 -5.545 1.00 0.00 C ATOM 308 O ASP A 21 3.569 9.186 -6.738 1.00 0.00 O ATOM 309 CB ASP A 21 5.589 9.049 -4.199 1.00 0.00 C ATOM 310 CG ASP A 21 6.360 9.780 -3.111 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.869 9.725 -1.962 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.400 10.386 -3.446 1.00 0.00 O ATOM 0 H ASP A 21 4.034 9.360 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 21 4.366 10.712 -4.861 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.439 8.011 -3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.180 9.036 -5.115 1.00 0.00 H new ATOM 317 N ASN A 22 2.688 7.925 -5.091 1.00 0.00 N ATOM 318 CA ASN A 22 1.903 7.019 -5.915 1.00 0.00 C ATOM 319 C ASN A 22 0.461 7.495 -6.002 1.00 0.00 C ATOM 320 O ASN A 22 -0.201 7.292 -7.017 1.00 0.00 O ATOM 321 CB ASN A 22 1.943 5.619 -5.305 1.00 0.00 C ATOM 322 CG ASN A 22 3.356 5.133 -5.022 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.950 4.426 -5.829 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.870 5.498 -3.852 1.00 0.00 N ATOM 0 H ASN A 22 2.593 7.729 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 22 2.326 6.998 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.371 5.617 -4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.453 4.920 -5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.805 5.188 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.330 6.088 -3.219 1.00 0.00 H new ATOM 331 N GLY A 23 -0.017 8.113 -4.923 1.00 0.00 N ATOM 332 CA GLY A 23 -1.299 8.798 -4.882 1.00 0.00 C ATOM 333 C GLY A 23 -2.082 8.577 -3.586 1.00 0.00 C ATOM 334 O GLY A 23 -3.256 8.930 -3.523 1.00 0.00 O ATOM 0 H GLY A 23 0.489 8.150 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.133 9.867 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.906 8.462 -5.723 1.00 0.00 H new ATOM 338 N VAL A 24 -1.465 8.000 -2.548 1.00 0.00 N ATOM 339 CA VAL A 24 -2.133 7.677 -1.293 1.00 0.00 C ATOM 340 C VAL A 24 -1.624 8.620 -0.209 1.00 0.00 C ATOM 341 O VAL A 24 -0.463 8.561 0.177 1.00 0.00 O ATOM 342 CB VAL A 24 -1.869 6.207 -0.958 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.364 5.852 0.440 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.605 5.311 -1.957 1.00 0.00 C ATOM 0 H VAL A 24 -0.478 7.744 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.212 7.811 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.791 6.050 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.159 4.801 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.850 6.470 1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.437 6.031 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.415 4.265 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.676 5.508 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.249 5.521 -2.965 1.00 0.00 H new ATOM 354 N ASN A 25 -2.483 9.508 0.281 1.00 0.00 N ATOM 355 CA ASN A 25 -2.099 10.495 1.282 1.00 0.00 C ATOM 356 C ASN A 25 -1.693 9.814 2.594 1.00 0.00 C ATOM 357 O ASN A 25 -2.165 8.713 2.880 1.00 0.00 O ATOM 358 CB ASN A 25 -3.268 11.461 1.518 1.00 0.00 C ATOM 359 CG ASN A 25 -3.309 12.579 0.480 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.141 13.747 0.813 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.520 12.241 -0.789 1.00 0.00 N ATOM 0 H ASN A 25 -3.461 9.563 -0.004 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.237 11.053 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.206 10.907 1.490 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.183 11.895 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.545 12.961 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.657 11.262 -1.040 1.00 0.00 H new ATOM 368 N PRO A 26 -0.848 10.452 3.418 1.00 0.00 N ATOM 369 CA PRO A 26 -0.580 9.959 4.756 1.00 0.00 C ATOM 370 C PRO A 26 -1.866 9.867 5.571 1.00 0.00 C ATOM 371 O PRO A 26 -2.798 10.649 5.391 1.00 0.00 O ATOM 372 CB PRO A 26 0.437 10.906 5.386 1.00 0.00 C ATOM 373 CG PRO A 26 0.402 12.157 4.511 1.00 0.00 C ATOM 374 CD PRO A 26 -0.130 11.686 3.156 1.00 0.00 C ATOM 0 HA PRO A 26 -0.174 8.948 4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.174 11.138 6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.433 10.463 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.244 12.921 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.395 12.596 4.413 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.788 12.434 2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.686 11.521 2.452 1.00 0.00 H new ATOM 382 N GLY A 27 -1.902 8.874 6.453 1.00 0.00 N ATOM 383 CA GLY A 27 -3.038 8.541 7.282 1.00 0.00 C ATOM 384 C GLY A 27 -4.127 7.795 6.521 1.00 0.00 C ATOM 385 O GLY A 27 -5.235 7.687 7.043 1.00 0.00 O ATOM 0 H GLY A 27 -1.104 8.258 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.703 7.930 8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.456 9.456 7.702 1.00 0.00 H new ATOM 389 N THR A 28 -3.855 7.248 5.328 1.00 0.00 N ATOM 390 CA THR A 28 -4.865 6.498 4.625 1.00 0.00 C ATOM 391 C THR A 28 -4.777 5.061 5.101 1.00 0.00 C ATOM 392 O THR A 28 -3.760 4.393 4.897 1.00 0.00 O ATOM 393 CB THR A 28 -4.644 6.599 3.117 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.735 7.941 2.694 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.722 5.808 2.390 1.00 0.00 C ATOM 0 H THR A 28 -2.957 7.317 4.850 1.00 0.00 H new ATOM 0 HA THR A 28 -5.859 6.895 4.829 1.00 0.00 H new ATOM 0 HB THR A 28 -3.654 6.204 2.891 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.838 8.333 2.655 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.563 5.881 1.314 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.674 4.762 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.702 6.214 2.640 1.00 0.00 H new ATOM 403 N ASP A 29 -5.855 4.590 5.718 1.00 0.00 N ATOM 404 CA ASP A 29 -6.000 3.201 6.081 1.00 0.00 C ATOM 405 C ASP A 29 -5.880 2.347 4.834 1.00 0.00 C ATOM 406 O ASP A 29 -6.518 2.644 3.827 1.00 0.00 O ATOM 407 CB ASP A 29 -7.369 2.981 6.710 1.00 0.00 C ATOM 408 CG ASP A 29 -7.434 1.670 7.460 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.847 0.676 6.976 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.953 1.658 8.597 1.00 0.00 O ATOM 0 H ASP A 29 -6.652 5.171 5.978 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.223 2.926 6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.593 3.802 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.133 2.994 5.933 1.00 0.00 H new ATOM 415 N PHE A 30 -5.123 1.257 4.926 1.00 0.00 N ATOM 416 CA PHE A 30 -5.066 0.237 3.899 1.00 0.00 C ATOM 417 C PHE A 30 -6.447 -0.117 3.364 1.00 0.00 C ATOM 418 O PHE A 30 -6.601 -0.372 2.167 1.00 0.00 O ATOM 419 CB PHE A 30 -4.399 -1.023 4.445 1.00 0.00 C ATOM 420 CG PHE A 30 -3.673 -1.758 3.349 1.00 0.00 C ATOM 421 CD1 PHE A 30 -2.427 -1.251 2.963 1.00 0.00 C ATOM 422 CD2 PHE A 30 -4.321 -2.712 2.545 1.00 0.00 C ATOM 423 CE1 PHE A 30 -1.800 -1.700 1.799 1.00 0.00 C ATOM 424 CE2 PHE A 30 -3.688 -3.179 1.381 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.418 -2.686 1.029 1.00 0.00 C ATOM 0 H PHE A 30 -4.526 1.061 5.729 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.480 0.644 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.699 -0.756 5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.151 -1.675 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.944 -0.502 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.297 -3.083 2.820 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.848 -1.289 1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.175 -3.915 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.917 -3.074 0.155 1.00 0.00 H new ATOM 435 N LYS A 31 -7.472 -0.140 4.222 1.00 0.00 N ATOM 436 CA LYS A 31 -8.782 -0.500 3.710 1.00 0.00 C ATOM 437 C LYS A 31 -9.280 0.574 2.740 1.00 0.00 C ATOM 438 O LYS A 31 -9.827 0.258 1.686 1.00 0.00 O ATOM 439 CB LYS A 31 -9.743 -0.823 4.851 1.00 0.00 C ATOM 440 CG LYS A 31 -10.132 0.460 5.565 1.00 0.00 C ATOM 441 CD LYS A 31 -10.881 0.151 6.853 1.00 0.00 C ATOM 442 CE LYS A 31 -11.245 1.442 7.606 1.00 0.00 C ATOM 443 NZ LYS A 31 -12.046 2.385 6.794 1.00 0.00 N ATOM 0 H LYS A 31 -7.422 0.074 5.218 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.716 -1.420 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.632 -1.319 4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.273 -1.513 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.239 1.043 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.756 1.071 4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.788 -0.408 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.267 -0.485 7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.802 1.185 8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.329 1.937 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.818 3.361 7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.825 2.250 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.058 2.207 6.953 1.00 0.00 H new ATOM 457 N ASP A 32 -9.027 1.838 3.090 1.00 0.00 N ATOM 458 CA ASP A 32 -9.528 3.020 2.415 1.00 0.00 C ATOM 459 C ASP A 32 -8.700 3.322 1.166 1.00 0.00 C ATOM 460 O ASP A 32 -9.122 4.128 0.338 1.00 0.00 O ATOM 461 CB ASP A 32 -9.533 4.203 3.402 1.00 0.00 C ATOM 462 CG ASP A 32 -10.501 3.987 4.563 1.00 0.00 C ATOM 463 OD1 ASP A 32 -11.516 3.279 4.388 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.207 4.415 5.696 1.00 0.00 O ATOM 0 H ASP A 32 -8.438 2.067 3.891 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.551 2.846 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.527 4.350 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.805 5.115 2.871 1.00 0.00 H new ATOM 469 N ILE A 33 -7.532 2.687 0.996 1.00 0.00 N ATOM 470 CA ILE A 33 -6.755 2.827 -0.213 1.00 0.00 C ATOM 471 C ILE A 33 -7.625 2.431 -1.413 1.00 0.00 C ATOM 472 O ILE A 33 -8.240 1.361 -1.364 1.00 0.00 O ATOM 473 CB ILE A 33 -5.537 1.923 -0.115 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.641 2.374 1.030 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.700 1.901 -1.372 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.305 1.635 1.066 1.00 0.00 C ATOM 0 H ILE A 33 -7.115 2.071 1.694 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.425 3.858 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.928 0.919 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.456 3.444 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.162 2.219 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.848 1.236 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.305 1.544 -2.206 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.342 2.908 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.710 2.000 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.483 0.566 1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.767 1.811 0.135 1.00 0.00 H new ATOM 488 N PRO A 34 -7.638 3.242 -2.479 1.00 0.00 N ATOM 489 CA PRO A 34 -8.357 2.959 -3.712 1.00 0.00 C ATOM 490 C PRO A 34 -7.943 1.597 -4.275 1.00 0.00 C ATOM 491 O PRO A 34 -6.757 1.282 -4.319 1.00 0.00 O ATOM 492 CB PRO A 34 -7.977 4.084 -4.682 1.00 0.00 C ATOM 493 CG PRO A 34 -7.346 5.176 -3.823 1.00 0.00 C ATOM 494 CD PRO A 34 -6.815 4.427 -2.605 1.00 0.00 C ATOM 0 HA PRO A 34 -9.434 2.918 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.278 3.729 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.854 4.459 -5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.546 5.690 -4.355 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.077 5.933 -3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.766 4.162 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.878 5.044 -1.709 1.00 0.00 H new ATOM 502 N ASP A 35 -8.894 0.783 -4.732 1.00 0.00 N ATOM 503 CA ASP A 35 -8.598 -0.537 -5.276 1.00 0.00 C ATOM 504 C ASP A 35 -7.872 -0.435 -6.622 1.00 0.00 C ATOM 505 O ASP A 35 -7.205 -1.378 -7.045 1.00 0.00 O ATOM 506 CB ASP A 35 -9.889 -1.370 -5.321 1.00 0.00 C ATOM 507 CG ASP A 35 -9.878 -2.515 -4.310 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.636 -2.228 -3.115 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.133 -3.657 -4.744 1.00 0.00 O ATOM 0 H ASP A 35 -9.886 1.021 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.902 -1.063 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.743 -0.722 -5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.022 -1.776 -6.324 1.00 0.00 H new ATOM 514 N ASP A 36 -7.953 0.730 -7.268 1.00 0.00 N ATOM 515 CA ASP A 36 -7.200 1.100 -8.454 1.00 0.00 C ATOM 516 C ASP A 36 -5.748 1.464 -8.125 1.00 0.00 C ATOM 517 O ASP A 36 -4.932 1.582 -9.040 1.00 0.00 O ATOM 518 CB ASP A 36 -7.920 2.265 -9.152 1.00 0.00 C ATOM 519 CG ASP A 36 -8.201 3.417 -8.198 1.00 0.00 C ATOM 520 OD1 ASP A 36 -9.007 3.168 -7.272 1.00 0.00 O ATOM 521 OD2 ASP A 36 -7.601 4.495 -8.383 1.00 0.00 O ATOM 0 H ASP A 36 -8.579 1.473 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.154 0.241 -9.123 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.310 2.622 -9.982 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.859 1.909 -9.576 1.00 0.00 H new ATOM 526 N TRP A 37 -5.395 1.636 -6.847 1.00 0.00 N ATOM 527 CA TRP A 37 -4.017 1.911 -6.473 1.00 0.00 C ATOM 528 C TRP A 37 -3.151 0.660 -6.655 1.00 0.00 C ATOM 529 O TRP A 37 -3.620 -0.468 -6.501 1.00 0.00 O ATOM 530 CB TRP A 37 -3.956 2.409 -5.033 1.00 0.00 C ATOM 531 CG TRP A 37 -2.581 2.638 -4.493 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.799 3.722 -4.682 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.790 1.714 -3.697 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.628 3.564 -3.965 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.565 2.338 -3.338 1.00 0.00 C ATOM 536 CE3 TRP A 37 -1.993 0.395 -3.262 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.392 1.701 -2.535 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.050 -0.258 -2.445 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.140 0.396 -2.078 1.00 0.00 C ATOM 0 H TRP A 37 -6.046 1.589 -6.063 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.624 2.691 -7.126 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.515 3.342 -4.965 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.463 1.686 -4.394 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.048 4.576 -5.295 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.104 4.272 -3.907 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.889 -0.129 -3.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.310 2.206 -2.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.241 -1.263 -2.099 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.859 -0.104 -1.446 1.00 0.00 H new ATOM 550 N VAL A 38 -1.873 0.886 -6.961 1.00 0.00 N ATOM 551 CA VAL A 38 -0.879 -0.122 -7.276 1.00 0.00 C ATOM 552 C VAL A 38 0.363 0.085 -6.411 1.00 0.00 C ATOM 553 O VAL A 38 0.632 1.198 -5.960 1.00 0.00 O ATOM 554 CB VAL A 38 -0.540 -0.056 -8.773 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.602 -0.795 -9.595 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.402 1.386 -9.284 1.00 0.00 C ATOM 0 H VAL A 38 -1.490 1.831 -6.996 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.275 -1.114 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 38 0.428 -0.542 -8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.347 -0.739 -10.653 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.640 -1.840 -9.286 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.575 -0.333 -9.431 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.162 1.374 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.341 1.918 -9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.395 1.891 -8.738 1.00 0.00 H new ATOM 566 N CYS A 39 1.097 -1.001 -6.172 1.00 0.00 N ATOM 567 CA CYS A 39 2.254 -1.015 -5.286 1.00 0.00 C ATOM 568 C CYS A 39 3.461 -0.307 -5.939 1.00 0.00 C ATOM 569 O CYS A 39 3.684 -0.456 -7.146 1.00 0.00 O ATOM 570 CB CYS A 39 2.489 -2.456 -4.897 1.00 0.00 C ATOM 571 SG CYS A 39 4.084 -2.777 -4.106 1.00 0.00 S ATOM 0 H CYS A 39 0.899 -1.907 -6.596 1.00 0.00 H new ATOM 0 HA CYS A 39 2.085 -0.442 -4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.694 -2.769 -4.220 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.411 -3.076 -5.790 1.00 0.00 H new ATOM 576 N PRO A 40 4.224 0.506 -5.181 1.00 0.00 N ATOM 577 CA PRO A 40 5.350 1.269 -5.705 1.00 0.00 C ATOM 578 C PRO A 40 6.407 0.360 -6.336 1.00 0.00 C ATOM 579 O PRO A 40 6.890 -0.576 -5.707 1.00 0.00 O ATOM 580 CB PRO A 40 5.928 2.063 -4.526 1.00 0.00 C ATOM 581 CG PRO A 40 5.399 1.337 -3.294 1.00 0.00 C ATOM 582 CD PRO A 40 4.057 0.780 -3.761 1.00 0.00 C ATOM 0 HA PRO A 40 5.022 1.937 -6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.018 2.071 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.601 3.103 -4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.074 0.543 -2.974 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.281 2.014 -2.448 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.796 -0.126 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.254 1.497 -3.591 1.00 0.00 H new ATOM 590 N LEU A 41 6.786 0.661 -7.583 1.00 0.00 N ATOM 591 CA LEU A 41 7.770 -0.091 -8.357 1.00 0.00 C ATOM 592 C LEU A 41 7.409 -1.578 -8.448 1.00 0.00 C ATOM 593 O LEU A 41 8.295 -2.429 -8.491 1.00 0.00 O ATOM 594 CB LEU A 41 9.194 0.114 -7.807 1.00 0.00 C ATOM 595 CG LEU A 41 9.602 1.582 -7.603 1.00 0.00 C ATOM 596 CD1 LEU A 41 11.090 1.636 -7.241 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.366 2.437 -8.853 1.00 0.00 C ATOM 0 H LEU A 41 6.404 1.458 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 41 7.751 0.304 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.279 -0.408 -6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.903 -0.354 -8.490 1.00 0.00 H new ATOM 0 HG LEU A 41 8.983 1.988 -6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.391 2.673 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.262 1.074 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.677 1.199 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.671 3.464 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.951 2.039 -9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.308 2.417 -9.113 1.00 0.00 H new ATOM 609 N CYS A 42 6.111 -1.879 -8.518 1.00 0.00 N ATOM 610 CA CYS A 42 5.587 -3.228 -8.620 1.00 0.00 C ATOM 611 C CYS A 42 4.553 -3.243 -9.751 1.00 0.00 C ATOM 612 O CYS A 42 4.374 -2.238 -10.439 1.00 0.00 O ATOM 613 CB CYS A 42 5.009 -3.581 -7.277 1.00 0.00 C ATOM 614 SG CYS A 42 4.807 -5.363 -7.023 1.00 0.00 S ATOM 0 H CYS A 42 5.381 -1.166 -8.504 1.00 0.00 H new ATOM 0 HA CYS A 42 6.345 -3.972 -8.865 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.656 -3.182 -6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.040 -3.094 -7.168 1.00 0.00 H new ATOM 619 N GLY A 43 3.887 -4.379 -9.965 1.00 0.00 N ATOM 620 CA GLY A 43 2.946 -4.571 -11.060 1.00 0.00 C ATOM 621 C GLY A 43 1.717 -5.343 -10.596 1.00 0.00 C ATOM 622 O GLY A 43 1.295 -6.285 -11.262 1.00 0.00 O ATOM 0 H GLY A 43 3.991 -5.202 -9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.643 -3.602 -11.457 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.433 -5.110 -11.872 1.00 0.00 H new ATOM 626 N VAL A 44 1.139 -4.938 -9.464 1.00 0.00 N ATOM 627 CA VAL A 44 -0.064 -5.537 -8.906 1.00 0.00 C ATOM 628 C VAL A 44 -0.754 -4.496 -8.018 1.00 0.00 C ATOM 629 O VAL A 44 -0.123 -3.525 -7.582 1.00 0.00 O ATOM 630 CB VAL A 44 0.278 -6.859 -8.188 1.00 0.00 C ATOM 631 CG1 VAL A 44 1.285 -6.663 -7.051 1.00 0.00 C ATOM 632 CG2 VAL A 44 -0.963 -7.589 -7.657 1.00 0.00 C ATOM 0 H VAL A 44 1.505 -4.169 -8.902 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.771 -5.814 -9.688 1.00 0.00 H new ATOM 0 HB VAL A 44 0.736 -7.485 -8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.492 -7.623 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.210 -6.249 -7.452 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.871 -5.977 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.659 -8.511 -7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.484 -6.950 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.629 -7.825 -8.487 1.00 0.00 H new ATOM 642 N GLY A 45 -2.062 -4.676 -7.815 1.00 0.00 N ATOM 643 CA GLY A 45 -2.873 -3.815 -6.979 1.00 0.00 C ATOM 644 C GLY A 45 -2.651 -4.130 -5.502 1.00 0.00 C ATOM 645 O GLY A 45 -1.884 -5.023 -5.147 1.00 0.00 O ATOM 0 H GLY A 45 -2.588 -5.441 -8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.625 -2.772 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.926 -3.944 -7.229 1.00 0.00 H new ATOM 649 N LYS A 46 -3.354 -3.403 -4.631 1.00 0.00 N ATOM 650 CA LYS A 46 -3.405 -3.706 -3.202 1.00 0.00 C ATOM 651 C LYS A 46 -4.031 -5.071 -2.898 1.00 0.00 C ATOM 652 O LYS A 46 -3.884 -5.563 -1.776 1.00 0.00 O ATOM 653 CB LYS A 46 -4.219 -2.637 -2.468 1.00 0.00 C ATOM 654 CG LYS A 46 -5.655 -2.522 -3.001 1.00 0.00 C ATOM 655 CD LYS A 46 -6.430 -1.434 -2.270 1.00 0.00 C ATOM 656 CE LYS A 46 -6.432 -1.624 -0.756 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.664 -1.032 -0.186 1.00 0.00 N ATOM 0 H LYS A 46 -3.904 -2.587 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.370 -3.723 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.248 -2.873 -1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.720 -1.673 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.633 -2.301 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.167 -3.477 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.997 -0.463 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.458 -1.422 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.379 -2.685 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.553 -1.152 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.531 -0.867 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.866 -0.128 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.461 -1.684 -0.330 1.00 0.00 H new ATOM 671 N ASP A 47 -4.792 -5.610 -3.859 1.00 0.00 N ATOM 672 CA ASP A 47 -5.567 -6.837 -3.841 1.00 0.00 C ATOM 673 C ASP A 47 -6.049 -7.176 -2.429 1.00 0.00 C ATOM 674 O ASP A 47 -7.061 -6.643 -1.984 1.00 0.00 O ATOM 675 CB ASP A 47 -4.768 -7.939 -4.560 1.00 0.00 C ATOM 676 CG ASP A 47 -4.475 -7.602 -6.027 1.00 0.00 C ATOM 677 OD1 ASP A 47 -4.572 -6.408 -6.394 1.00 0.00 O ATOM 678 OD2 ASP A 47 -4.138 -8.555 -6.760 1.00 0.00 O ATOM 0 H ASP A 47 -4.883 -5.140 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.496 -6.721 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.827 -8.100 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.325 -8.875 -4.511 1.00 0.00 H new ATOM 683 N GLN A 48 -5.295 -8.008 -1.708 1.00 0.00 N ATOM 684 CA GLN A 48 -5.415 -8.188 -0.267 1.00 0.00 C ATOM 685 C GLN A 48 -4.011 -8.459 0.288 1.00 0.00 C ATOM 686 O GLN A 48 -3.692 -9.570 0.701 1.00 0.00 O ATOM 687 CB GLN A 48 -6.444 -9.290 0.062 1.00 0.00 C ATOM 688 CG GLN A 48 -7.864 -8.751 0.330 1.00 0.00 C ATOM 689 CD GLN A 48 -8.220 -8.768 1.814 1.00 0.00 C ATOM 690 OE1 GLN A 48 -8.832 -9.713 2.299 1.00 0.00 O ATOM 691 NE2 GLN A 48 -7.854 -7.726 2.555 1.00 0.00 N ATOM 0 H GLN A 48 -4.567 -8.588 -2.124 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.802 -7.291 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.484 -9.997 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.104 -9.843 0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.940 -7.731 -0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.588 -9.351 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.345 -6.951 2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.082 -7.702 3.549 1.00 0.00 H new ATOM 700 N PHE A 49 -3.172 -7.417 0.266 1.00 0.00 N ATOM 701 CA PHE A 49 -1.867 -7.355 0.935 1.00 0.00 C ATOM 702 C PHE A 49 -1.988 -7.839 2.393 1.00 0.00 C ATOM 703 O PHE A 49 -3.079 -7.795 2.965 1.00 0.00 O ATOM 704 CB PHE A 49 -1.348 -5.906 0.812 1.00 0.00 C ATOM 705 CG PHE A 49 -0.689 -5.541 -0.515 1.00 0.00 C ATOM 706 CD1 PHE A 49 -0.916 -6.301 -1.682 1.00 0.00 C ATOM 707 CD2 PHE A 49 0.272 -4.508 -0.547 1.00 0.00 C ATOM 708 CE1 PHE A 49 -0.174 -6.057 -2.846 1.00 0.00 C ATOM 709 CE2 PHE A 49 0.987 -4.237 -1.727 1.00 0.00 C ATOM 710 CZ PHE A 49 0.787 -5.036 -2.865 1.00 0.00 C ATOM 0 H PHE A 49 -3.393 -6.559 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.144 -8.022 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.184 -5.227 0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.629 -5.730 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.667 -7.077 -1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.459 -3.922 0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.343 -6.656 -3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.688 -3.416 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.374 -4.864 -3.755 1.00 0.00 H new ATOM 720 N GLU A 50 -0.891 -8.309 3.003 1.00 0.00 N ATOM 721 CA GLU A 50 -0.938 -8.930 4.327 1.00 0.00 C ATOM 722 C GLU A 50 -0.622 -7.865 5.367 1.00 0.00 C ATOM 723 O GLU A 50 0.156 -6.964 5.080 1.00 0.00 O ATOM 724 CB GLU A 50 0.073 -10.080 4.426 1.00 0.00 C ATOM 725 CG GLU A 50 -0.416 -11.354 3.729 1.00 0.00 C ATOM 726 CD GLU A 50 0.541 -12.510 3.993 1.00 0.00 C ATOM 727 OE1 GLU A 50 1.535 -12.608 3.243 1.00 0.00 O ATOM 728 OE2 GLU A 50 0.267 -13.261 4.952 1.00 0.00 O ATOM 0 H GLU A 50 0.043 -8.269 2.595 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.931 -9.344 4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.018 -9.767 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.270 -10.297 5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.413 -11.611 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.497 -11.180 2.656 1.00 0.00 H new ATOM 735 N GLU A 51 -1.202 -7.947 6.565 1.00 0.00 N ATOM 736 CA GLU A 51 -0.977 -6.978 7.611 1.00 0.00 C ATOM 737 C GLU A 51 0.409 -7.208 8.221 1.00 0.00 C ATOM 738 O GLU A 51 0.862 -8.346 8.334 1.00 0.00 O ATOM 739 CB GLU A 51 -2.127 -7.125 8.611 1.00 0.00 C ATOM 740 CG GLU A 51 -1.930 -6.212 9.812 1.00 0.00 C ATOM 741 CD GLU A 51 -3.236 -5.963 10.558 1.00 0.00 C ATOM 742 OE1 GLU A 51 -4.080 -5.243 9.980 1.00 0.00 O ATOM 743 OE2 GLU A 51 -3.355 -6.445 11.705 1.00 0.00 O ATOM 0 H GLU A 51 -1.843 -8.696 6.827 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.975 -5.951 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.071 -6.888 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.193 -8.161 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.203 -6.658 10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.514 -5.260 9.480 1.00 0.00 H new ATOM 750 N VAL A 52 1.087 -6.123 8.596 1.00 0.00 N ATOM 751 CA VAL A 52 2.380 -6.107 9.234 1.00 0.00 C ATOM 752 C VAL A 52 2.142 -5.698 10.686 1.00 0.00 C ATOM 753 O VAL A 52 1.777 -4.553 10.961 1.00 0.00 O ATOM 754 CB VAL A 52 3.275 -5.125 8.457 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.473 -4.662 9.277 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.779 -5.768 7.173 1.00 0.00 C ATOM 0 H VAL A 52 0.717 -5.184 8.449 1.00 0.00 H new ATOM 0 HA VAL A 52 2.888 -7.071 9.230 1.00 0.00 H new ATOM 0 HB VAL A 52 2.659 -4.255 8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.074 -3.971 8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.124 -4.159 10.179 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.079 -5.524 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.410 -5.061 6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.358 -6.659 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.930 -6.045 6.547 1.00 0.00 H new ATOM 766 N GLU A 53 2.341 -6.639 11.610 1.00 0.00 N ATOM 767 CA GLU A 53 2.122 -6.479 13.033 1.00 0.00 C ATOM 768 C GLU A 53 3.226 -5.667 13.730 1.00 0.00 C ATOM 769 O GLU A 53 3.811 -6.094 14.723 1.00 0.00 O ATOM 770 CB GLU A 53 1.903 -7.865 13.641 1.00 0.00 C ATOM 771 CG GLU A 53 3.047 -8.876 13.455 1.00 0.00 C ATOM 772 CD GLU A 53 2.659 -10.234 14.025 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.894 -10.936 13.329 1.00 0.00 O ATOM 774 OE2 GLU A 53 3.116 -10.541 15.147 1.00 0.00 O ATOM 0 H GLU A 53 2.674 -7.572 11.367 1.00 0.00 H new ATOM 0 HA GLU A 53 1.228 -5.877 13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.721 -7.746 14.709 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.997 -8.290 13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.284 -8.974 12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.947 -8.511 13.951 1.00 0.00 H new ATOM 781 N GLU A 54 3.453 -4.463 13.218 1.00 0.00 N ATOM 782 CA GLU A 54 4.095 -3.387 13.958 1.00 0.00 C ATOM 783 C GLU A 54 3.014 -2.648 14.758 1.00 0.00 C ATOM 784 O GLU A 54 3.391 -1.969 15.737 1.00 0.00 O ATOM 785 CB GLU A 54 4.812 -2.418 13.005 1.00 0.00 C ATOM 786 CG GLU A 54 5.980 -3.064 12.233 1.00 0.00 C ATOM 787 CD GLU A 54 7.279 -2.280 12.365 1.00 0.00 C ATOM 788 OE1 GLU A 54 7.232 -1.072 12.044 1.00 0.00 O ATOM 789 OE2 GLU A 54 8.294 -2.890 12.758 1.00 0.00 O ATOM 790 OXT GLU A 54 1.828 -2.747 14.362 1.00 0.00 O ATOM 0 H GLU A 54 3.193 -4.205 12.266 1.00 0.00 H new ATOM 0 HA GLU A 54 4.847 -3.800 14.631 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.090 -2.023 12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.190 -1.571 13.578 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.135 -4.079 12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.714 -3.143 11.179 1.00 0.00 H new TER 797 GLU A 54 HETATM 798 FE FE A 55 4.978 -4.698 -4.884 1.00 0.00 FE