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 -175:sc= 0 (180deg=-0.02) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.0673 (180deg=-1.58!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -117:sc= 1.12 (180deg=-0.535) USER MOD Single : A 4 TYR OH : rot -95:sc= 1.28 USER MOD Single : A 5 THR OG1 : rot 170:sc= 0.715 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -9:sc= 1.06 USER MOD Single : A 14 ASN : amide:sc= -1.19 K(o=-1.2,f=-8!) USER MOD Single : A 22 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.51) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 104:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 2.3 (180deg=1.24) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.507 0.164 9.231 1.00 0.00 N ATOM 2 CA MET A 1 -4.525 0.742 10.168 1.00 0.00 C ATOM 3 C MET A 1 -3.413 -0.284 10.308 1.00 0.00 C ATOM 4 O MET A 1 -3.607 -1.411 9.868 1.00 0.00 O ATOM 5 CB MET A 1 -4.011 2.129 9.727 1.00 0.00 C ATOM 6 CG MET A 1 -5.000 3.231 10.104 1.00 0.00 C ATOM 7 SD MET A 1 -4.678 4.885 9.425 1.00 0.00 S ATOM 8 CE MET A 1 -3.201 5.366 10.347 1.00 0.00 C ATOM 0 H1 MET A 1 -6.443 0.581 9.408 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.216 0.369 8.254 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.555 -0.866 9.370 1.00 0.00 H new ATOM 0 HA MET A 1 -4.990 0.938 11.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.046 2.327 10.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.850 2.134 8.649 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.994 2.920 9.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.025 3.308 11.191 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.938 6.395 10.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.398 5.287 11.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.375 4.707 10.080 1.00 0.00 H new ATOM 20 N LYS A 2 -2.306 0.101 10.936 1.00 0.00 N ATOM 21 CA LYS A 2 -1.035 -0.601 10.928 1.00 0.00 C ATOM 22 C LYS A 2 -0.469 -0.783 9.521 1.00 0.00 C ATOM 23 O LYS A 2 -1.137 -0.556 8.516 1.00 0.00 O ATOM 24 CB LYS A 2 -1.144 -1.954 11.612 1.00 0.00 C ATOM 25 CG LYS A 2 -1.910 -1.890 12.930 1.00 0.00 C ATOM 26 CD LYS A 2 -1.640 -3.225 13.615 1.00 0.00 C ATOM 27 CE LYS A 2 -2.832 -3.735 14.425 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.064 -2.930 15.637 1.00 0.00 N ATOM 0 H LYS A 2 -2.274 0.956 11.492 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.343 0.030 11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.641 -2.656 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.143 -2.344 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.569 -1.056 13.544 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.977 -1.744 12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.377 -3.967 12.861 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.778 -3.121 14.274 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.727 -3.718 13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.660 -4.774 14.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.881 -3.311 16.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.221 -2.966 16.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.254 -1.944 15.368 1.00 0.00 H new ATOM 42 N LYS A 3 0.797 -1.178 9.460 1.00 0.00 N ATOM 43 CA LYS A 3 1.494 -1.372 8.209 1.00 0.00 C ATOM 44 C LYS A 3 1.006 -2.648 7.542 1.00 0.00 C ATOM 45 O LYS A 3 0.278 -3.431 8.149 1.00 0.00 O ATOM 46 CB LYS A 3 2.994 -1.360 8.490 1.00 0.00 C ATOM 47 CG LYS A 3 3.371 -0.010 9.111 1.00 0.00 C ATOM 48 CD LYS A 3 4.830 -0.021 9.567 1.00 0.00 C ATOM 49 CE LYS A 3 5.900 0.165 8.490 1.00 0.00 C ATOM 50 NZ LYS A 3 7.155 -0.489 8.918 1.00 0.00 N ATOM 0 H LYS A 3 1.365 -1.372 10.285 1.00 0.00 H new ATOM 0 HA LYS A 3 1.287 -0.567 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.257 -2.173 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.552 -1.520 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.217 0.787 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.720 0.202 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.958 0.766 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.019 -0.969 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.559 -0.262 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.073 1.227 8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.902 0.227 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.004 -0.967 9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.443 -1.188 8.204 1.00 0.00 H new ATOM 64 N TYR A 4 1.412 -2.855 6.293 1.00 0.00 N ATOM 65 CA TYR A 4 0.995 -4.009 5.507 1.00 0.00 C ATOM 66 C TYR A 4 2.106 -4.446 4.565 1.00 0.00 C ATOM 67 O TYR A 4 2.836 -3.599 4.055 1.00 0.00 O ATOM 68 CB TYR A 4 -0.232 -3.649 4.668 1.00 0.00 C ATOM 69 CG TYR A 4 -1.540 -3.712 5.421 1.00 0.00 C ATOM 70 CD1 TYR A 4 -2.004 -2.613 6.159 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.259 -4.915 5.441 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.145 -2.745 6.966 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.338 -5.078 6.328 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.742 -4.003 7.140 1.00 0.00 C ATOM 75 OH TYR A 4 -4.803 -4.138 7.984 1.00 0.00 O ATOM 0 H TYR A 4 2.042 -2.224 5.797 1.00 0.00 H new ATOM 0 HA TYR A 4 0.760 -4.820 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.103 -2.642 4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.285 -4.325 3.814 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.485 -1.668 6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.984 -5.718 4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.564 -1.877 7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.854 -6.025 6.385 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.485 -4.422 8.866 1.00 0.00 H new ATOM 85 N THR A 5 2.211 -5.749 4.293 1.00 0.00 N ATOM 86 CA THR A 5 3.059 -6.243 3.217 1.00 0.00 C ATOM 87 C THR A 5 2.547 -5.768 1.847 1.00 0.00 C ATOM 88 O THR A 5 1.402 -5.335 1.721 1.00 0.00 O ATOM 89 CB THR A 5 3.136 -7.777 3.287 1.00 0.00 C ATOM 90 OG1 THR A 5 1.870 -8.353 3.023 1.00 0.00 O ATOM 91 CG2 THR A 5 3.631 -8.241 4.664 1.00 0.00 C ATOM 0 H THR A 5 1.717 -6.478 4.807 1.00 0.00 H new ATOM 0 HA THR A 5 4.063 -5.837 3.341 1.00 0.00 H new ATOM 0 HB THR A 5 3.846 -8.106 2.528 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.968 -9.322 2.912 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.676 -9.330 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.624 -7.833 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.944 -7.890 5.435 1.00 0.00 H new ATOM 99 N CYS A 6 3.397 -5.903 0.820 1.00 0.00 N ATOM 100 CA CYS A 6 2.988 -5.923 -0.581 1.00 0.00 C ATOM 101 C CYS A 6 2.217 -7.235 -0.777 1.00 0.00 C ATOM 102 O CYS A 6 1.055 -7.343 -0.401 1.00 0.00 O ATOM 103 CB CYS A 6 4.229 -5.768 -1.453 1.00 0.00 C ATOM 104 SG CYS A 6 4.025 -6.216 -3.212 1.00 0.00 S ATOM 0 H CYS A 6 4.404 -6.003 0.947 1.00 0.00 H new ATOM 0 HA CYS A 6 2.331 -5.102 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.562 -4.731 -1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.025 -6.381 -1.031 1.00 0.00 H new ATOM 109 N THR A 7 2.898 -8.257 -1.289 1.00 0.00 N ATOM 110 CA THR A 7 2.379 -9.578 -1.589 1.00 0.00 C ATOM 111 C THR A 7 3.573 -10.452 -1.990 1.00 0.00 C ATOM 112 O THR A 7 3.685 -11.587 -1.531 1.00 0.00 O ATOM 113 CB THR A 7 1.257 -9.514 -2.650 1.00 0.00 C ATOM 114 OG1 THR A 7 0.568 -10.744 -2.689 1.00 0.00 O ATOM 115 CG2 THR A 7 1.743 -9.168 -4.061 1.00 0.00 C ATOM 0 H THR A 7 3.889 -8.174 -1.518 1.00 0.00 H new ATOM 0 HA THR A 7 1.897 -10.026 -0.720 1.00 0.00 H new ATOM 0 HB THR A 7 0.601 -8.701 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.144 -10.699 -3.361 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.893 -9.144 -4.743 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.227 -8.191 -4.050 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.455 -9.922 -4.396 1.00 0.00 H new ATOM 123 N VAL A 8 4.507 -9.906 -2.789 1.00 0.00 N ATOM 124 CA VAL A 8 5.723 -10.621 -3.169 1.00 0.00 C ATOM 125 C VAL A 8 6.952 -9.723 -3.374 1.00 0.00 C ATOM 126 O VAL A 8 8.048 -10.147 -3.018 1.00 0.00 O ATOM 127 CB VAL A 8 5.446 -11.547 -4.370 1.00 0.00 C ATOM 128 CG1 VAL A 8 5.255 -10.776 -5.681 1.00 0.00 C ATOM 129 CG2 VAL A 8 6.563 -12.587 -4.539 1.00 0.00 C ATOM 0 H VAL A 8 4.436 -8.967 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 8 6.000 -11.240 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 8 4.509 -12.057 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.063 -11.479 -6.492 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.409 -10.095 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.157 -10.205 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.339 -13.225 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.512 -12.078 -4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.631 -13.197 -3.638 1.00 0.00 H new ATOM 139 N CYS A 9 6.824 -8.521 -3.959 1.00 0.00 N ATOM 140 CA CYS A 9 8.013 -7.758 -4.346 1.00 0.00 C ATOM 141 C CYS A 9 8.832 -7.343 -3.118 1.00 0.00 C ATOM 142 O CYS A 9 10.057 -7.441 -3.119 1.00 0.00 O ATOM 143 CB CYS A 9 7.655 -6.602 -5.249 1.00 0.00 C ATOM 144 SG CYS A 9 6.923 -5.209 -4.351 1.00 0.00 S ATOM 0 H CYS A 9 5.934 -8.070 -4.168 1.00 0.00 H new ATOM 0 HA CYS A 9 8.661 -8.407 -4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.551 -6.262 -5.769 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.955 -6.945 -6.011 1.00 0.00 H new ATOM 149 N GLY A 10 8.133 -6.917 -2.062 1.00 0.00 N ATOM 150 CA GLY A 10 8.707 -6.570 -0.772 1.00 0.00 C ATOM 151 C GLY A 10 8.655 -5.066 -0.515 1.00 0.00 C ATOM 152 O GLY A 10 9.640 -4.483 -0.068 1.00 0.00 O ATOM 0 H GLY A 10 7.120 -6.803 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.168 -7.093 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.742 -6.910 -0.731 1.00 0.00 H new ATOM 156 N TYR A 11 7.494 -4.444 -0.747 1.00 0.00 N ATOM 157 CA TYR A 11 7.259 -3.030 -0.490 1.00 0.00 C ATOM 158 C TYR A 11 6.209 -2.891 0.616 1.00 0.00 C ATOM 159 O TYR A 11 5.011 -2.851 0.350 1.00 0.00 O ATOM 160 CB TYR A 11 6.867 -2.324 -1.801 1.00 0.00 C ATOM 161 CG TYR A 11 7.595 -1.015 -2.021 1.00 0.00 C ATOM 162 CD1 TYR A 11 7.332 0.088 -1.189 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.614 -0.937 -2.988 1.00 0.00 C ATOM 164 CE1 TYR A 11 8.066 1.277 -1.346 1.00 0.00 C ATOM 165 CE2 TYR A 11 9.355 0.246 -3.133 1.00 0.00 C ATOM 166 CZ TYR A 11 9.066 1.361 -2.330 1.00 0.00 C ATOM 167 OH TYR A 11 9.759 2.520 -2.511 1.00 0.00 O ATOM 0 H TYR A 11 6.678 -4.925 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 11 8.165 -2.539 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.072 -2.990 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.793 -2.138 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.567 0.022 -0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.826 -1.788 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.861 2.126 -0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.149 0.299 -3.863 1.00 0.00 H new ATOM 0 HH TYR A 11 10.413 2.401 -3.232 1.00 0.00 H new ATOM 177 N ILE A 12 6.646 -2.853 1.879 1.00 0.00 N ATOM 178 CA ILE A 12 5.724 -2.654 2.991 1.00 0.00 C ATOM 179 C ILE A 12 5.075 -1.272 2.879 1.00 0.00 C ATOM 180 O ILE A 12 5.771 -0.260 2.812 1.00 0.00 O ATOM 181 CB ILE A 12 6.421 -2.897 4.348 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.422 -4.416 4.599 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.727 -2.156 5.510 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.356 -4.866 5.726 1.00 0.00 C ATOM 0 H ILE A 12 7.624 -2.957 2.151 1.00 0.00 H new ATOM 0 HA ILE A 12 4.924 -3.393 2.939 1.00 0.00 H new ATOM 0 HB ILE A 12 7.437 -2.503 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.407 -4.734 4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.710 -4.925 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.257 -2.361 6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.737 -1.084 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.696 -2.499 5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.297 -5.949 5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.380 -4.582 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.057 -4.388 6.659 1.00 0.00 H new ATOM 196 N TYR A 13 3.743 -1.240 2.886 1.00 0.00 N ATOM 197 CA TYR A 13 2.958 -0.021 2.934 1.00 0.00 C ATOM 198 C TYR A 13 2.883 0.446 4.387 1.00 0.00 C ATOM 199 O TYR A 13 2.679 -0.377 5.285 1.00 0.00 O ATOM 200 CB TYR A 13 1.556 -0.320 2.395 1.00 0.00 C ATOM 201 CG TYR A 13 0.594 0.849 2.484 1.00 0.00 C ATOM 202 CD1 TYR A 13 -0.117 1.092 3.671 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.440 1.723 1.398 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.934 2.228 3.779 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.205 2.962 1.587 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.893 3.223 2.787 1.00 0.00 C ATOM 207 OH TYR A 13 -1.686 4.332 2.896 1.00 0.00 O ATOM 0 H TYR A 13 3.172 -2.085 2.858 1.00 0.00 H new ATOM 0 HA TYR A 13 3.412 0.762 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.638 -0.630 1.353 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.139 -1.162 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.035 0.405 4.500 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.813 1.448 0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.595 2.338 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.171 3.712 0.810 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.315 4.213 3.638 1.00 0.00 H new ATOM 217 N ASN A 14 3.007 1.760 4.614 1.00 0.00 N ATOM 218 CA ASN A 14 2.844 2.376 5.923 1.00 0.00 C ATOM 219 C ASN A 14 1.758 3.444 5.873 1.00 0.00 C ATOM 220 O ASN A 14 1.939 4.453 5.200 1.00 0.00 O ATOM 221 CB ASN A 14 4.174 2.969 6.397 1.00 0.00 C ATOM 222 CG ASN A 14 4.091 3.463 7.839 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.049 3.401 8.482 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.205 3.905 8.391 1.00 0.00 N ATOM 0 H ASN A 14 3.227 2.430 3.877 1.00 0.00 H new ATOM 0 HA ASN A 14 2.536 1.613 6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.958 2.216 6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.457 3.796 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.208 4.202 9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.063 3.950 7.842 1.00 0.00 H new ATOM 231 N PRO A 15 0.628 3.267 6.571 1.00 0.00 N ATOM 232 CA PRO A 15 -0.477 4.196 6.463 1.00 0.00 C ATOM 233 C PRO A 15 -0.132 5.546 7.042 1.00 0.00 C ATOM 234 O PRO A 15 -0.517 6.554 6.463 1.00 0.00 O ATOM 235 CB PRO A 15 -1.662 3.572 7.193 1.00 0.00 C ATOM 236 CG PRO A 15 -1.024 2.539 8.115 1.00 0.00 C ATOM 237 CD PRO A 15 0.337 2.199 7.512 1.00 0.00 C ATOM 0 HA PRO A 15 -0.718 4.371 5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.222 4.318 7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.361 3.108 6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.913 2.936 9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.648 1.649 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.103 2.138 8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.312 1.231 7.011 1.00 0.00 H new ATOM 245 N GLU A 16 0.597 5.584 8.154 1.00 0.00 N ATOM 246 CA GLU A 16 0.958 6.838 8.781 1.00 0.00 C ATOM 247 C GLU A 16 1.776 7.714 7.828 1.00 0.00 C ATOM 248 O GLU A 16 1.663 8.938 7.858 1.00 0.00 O ATOM 249 CB GLU A 16 1.689 6.536 10.084 1.00 0.00 C ATOM 250 CG GLU A 16 0.741 5.823 11.064 1.00 0.00 C ATOM 251 CD GLU A 16 1.159 6.005 12.517 1.00 0.00 C ATOM 252 OE1 GLU A 16 1.218 7.178 12.944 1.00 0.00 O ATOM 253 OE2 GLU A 16 1.383 4.968 13.177 1.00 0.00 O ATOM 0 H GLU A 16 0.947 4.755 8.635 1.00 0.00 H new ATOM 0 HA GLU A 16 0.063 7.414 9.016 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.559 5.910 9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.056 7.461 10.528 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.271 6.206 10.930 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.713 4.759 10.828 1.00 0.00 H new ATOM 260 N ASP A 17 2.546 7.071 6.948 1.00 0.00 N ATOM 261 CA ASP A 17 3.327 7.746 5.919 1.00 0.00 C ATOM 262 C ASP A 17 2.471 7.952 4.667 1.00 0.00 C ATOM 263 O ASP A 17 2.651 8.920 3.929 1.00 0.00 O ATOM 264 CB ASP A 17 4.551 6.894 5.563 1.00 0.00 C ATOM 265 CG ASP A 17 5.593 6.751 6.667 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.774 7.722 7.431 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.203 5.657 6.726 1.00 0.00 O ATOM 0 H ASP A 17 2.643 6.056 6.933 1.00 0.00 H new ATOM 0 HA ASP A 17 3.652 8.715 6.296 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.209 5.899 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.032 7.328 4.687 1.00 0.00 H new ATOM 272 N GLY A 18 1.541 7.029 4.414 1.00 0.00 N ATOM 273 CA GLY A 18 0.845 6.909 3.155 1.00 0.00 C ATOM 274 C GLY A 18 1.819 6.571 2.028 1.00 0.00 C ATOM 275 O GLY A 18 2.928 6.097 2.266 1.00 0.00 O ATOM 0 H GLY A 18 1.253 6.334 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.083 6.133 3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.329 7.842 2.929 1.00 0.00 H new ATOM 279 N ASP A 19 1.392 6.851 0.798 1.00 0.00 N ATOM 280 CA ASP A 19 2.202 6.798 -0.410 1.00 0.00 C ATOM 281 C ASP A 19 1.814 8.006 -1.282 1.00 0.00 C ATOM 282 O ASP A 19 1.311 7.849 -2.401 1.00 0.00 O ATOM 283 CB ASP A 19 1.993 5.431 -1.101 1.00 0.00 C ATOM 284 CG ASP A 19 3.165 4.484 -0.885 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.284 4.889 -1.265 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.910 3.360 -0.401 1.00 0.00 O ATOM 0 H ASP A 19 0.430 7.133 0.612 1.00 0.00 H new ATOM 0 HA ASP A 19 3.270 6.870 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.082 4.970 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.848 5.586 -2.170 1.00 0.00 H new ATOM 291 N PRO A 20 2.005 9.241 -0.784 1.00 0.00 N ATOM 292 CA PRO A 20 1.496 10.437 -1.440 1.00 0.00 C ATOM 293 C PRO A 20 2.135 10.629 -2.808 1.00 0.00 C ATOM 294 O PRO A 20 1.482 11.122 -3.724 1.00 0.00 O ATOM 295 CB PRO A 20 1.792 11.607 -0.500 1.00 0.00 C ATOM 296 CG PRO A 20 2.923 11.090 0.389 1.00 0.00 C ATOM 297 CD PRO A 20 2.658 9.587 0.469 1.00 0.00 C ATOM 0 HA PRO A 20 0.425 10.360 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.094 12.497 -1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.915 11.879 0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.901 11.302 -0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.902 11.554 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.587 9.031 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.024 9.345 1.322 1.00 0.00 H new ATOM 305 N ASP A 21 3.383 10.181 -2.961 1.00 0.00 N ATOM 306 CA ASP A 21 4.134 10.265 -4.196 1.00 0.00 C ATOM 307 C ASP A 21 3.400 9.504 -5.304 1.00 0.00 C ATOM 308 O ASP A 21 3.531 9.823 -6.484 1.00 0.00 O ATOM 309 CB ASP A 21 5.525 9.662 -3.948 1.00 0.00 C ATOM 310 CG ASP A 21 6.436 10.512 -3.064 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.930 11.479 -2.455 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.633 10.161 -3.002 1.00 0.00 O ATOM 0 H ASP A 21 3.905 9.740 -2.204 1.00 0.00 H new ATOM 0 HA ASP A 21 4.235 11.302 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.405 8.681 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.016 9.505 -4.909 1.00 0.00 H new ATOM 317 N ASN A 22 2.634 8.484 -4.907 1.00 0.00 N ATOM 318 CA ASN A 22 1.924 7.564 -5.782 1.00 0.00 C ATOM 319 C ASN A 22 0.442 7.912 -5.848 1.00 0.00 C ATOM 320 O ASN A 22 -0.219 7.613 -6.839 1.00 0.00 O ATOM 321 CB ASN A 22 2.125 6.139 -5.265 1.00 0.00 C ATOM 322 CG ASN A 22 3.603 5.837 -5.051 1.00 0.00 C ATOM 323 OD1 ASN A 22 4.297 5.413 -5.969 1.00 0.00 O ATOM 324 ND2 ASN A 22 4.094 6.066 -3.837 1.00 0.00 N ATOM 0 H ASN A 22 2.489 8.273 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 22 2.322 7.644 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.585 6.009 -4.327 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.705 5.428 -5.976 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.080 5.889 -3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.485 6.419 -3.099 1.00 0.00 H new ATOM 331 N GLY A 23 -0.071 8.548 -4.793 1.00 0.00 N ATOM 332 CA GLY A 23 -1.398 9.148 -4.765 1.00 0.00 C ATOM 333 C GLY A 23 -2.181 8.860 -3.481 1.00 0.00 C ATOM 334 O GLY A 23 -3.377 9.137 -3.424 1.00 0.00 O ATOM 0 H GLY A 23 0.439 8.660 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.301 10.227 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.970 8.782 -5.618 1.00 0.00 H new ATOM 338 N VAL A 24 -1.537 8.309 -2.448 1.00 0.00 N ATOM 339 CA VAL A 24 -2.188 7.889 -1.214 1.00 0.00 C ATOM 340 C VAL A 24 -1.707 8.786 -0.077 1.00 0.00 C ATOM 341 O VAL A 24 -0.553 8.721 0.324 1.00 0.00 O ATOM 342 CB VAL A 24 -1.850 6.415 -0.975 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.318 5.933 0.393 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.505 5.539 -2.047 1.00 0.00 C ATOM 0 H VAL A 24 -0.531 8.141 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.272 7.985 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.764 6.330 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.057 4.882 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.834 6.522 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.399 6.049 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.256 4.494 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.587 5.666 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.139 5.833 -3.031 1.00 0.00 H new ATOM 354 N ASN A 25 -2.579 9.644 0.444 1.00 0.00 N ATOM 355 CA ASN A 25 -2.208 10.592 1.488 1.00 0.00 C ATOM 356 C ASN A 25 -1.787 9.863 2.771 1.00 0.00 C ATOM 357 O ASN A 25 -2.230 8.738 3.004 1.00 0.00 O ATOM 358 CB ASN A 25 -3.389 11.532 1.762 1.00 0.00 C ATOM 359 CG ASN A 25 -3.422 12.694 0.776 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.105 13.823 1.130 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.789 12.433 -0.476 1.00 0.00 N ATOM 0 H ASN A 25 -3.556 9.701 0.157 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.353 11.176 1.147 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.322 10.973 1.697 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.319 11.919 2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.811 13.182 -1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.048 11.484 -0.744 1.00 0.00 H new ATOM 368 N PRO A 26 -0.962 10.482 3.630 1.00 0.00 N ATOM 369 CA PRO A 26 -0.695 9.931 4.943 1.00 0.00 C ATOM 370 C PRO A 26 -1.986 9.795 5.742 1.00 0.00 C ATOM 371 O PRO A 26 -2.939 10.552 5.562 1.00 0.00 O ATOM 372 CB PRO A 26 0.309 10.857 5.623 1.00 0.00 C ATOM 373 CG PRO A 26 0.228 12.160 4.830 1.00 0.00 C ATOM 374 CD PRO A 26 -0.286 11.754 3.447 1.00 0.00 C ATOM 0 HA PRO A 26 -0.278 8.927 4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.056 11.014 6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.315 10.439 5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.446 12.871 5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.204 12.642 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.968 12.505 3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.536 11.661 2.737 1.00 0.00 H new ATOM 382 N GLY A 27 -2.004 8.788 6.606 1.00 0.00 N ATOM 383 CA GLY A 27 -3.151 8.400 7.397 1.00 0.00 C ATOM 384 C GLY A 27 -4.205 7.664 6.579 1.00 0.00 C ATOM 385 O GLY A 27 -5.325 7.520 7.064 1.00 0.00 O ATOM 0 H GLY A 27 -1.187 8.201 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.823 7.762 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.598 9.289 7.843 1.00 0.00 H new ATOM 389 N THR A 28 -3.887 7.167 5.375 1.00 0.00 N ATOM 390 CA THR A 28 -4.859 6.415 4.622 1.00 0.00 C ATOM 391 C THR A 28 -4.714 4.963 5.033 1.00 0.00 C ATOM 392 O THR A 28 -3.676 4.344 4.793 1.00 0.00 O ATOM 393 CB THR A 28 -4.619 6.602 3.125 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.783 7.957 2.768 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.631 5.790 2.336 1.00 0.00 C ATOM 0 H THR A 28 -2.980 7.277 4.922 1.00 0.00 H new ATOM 0 HA THR A 28 -5.873 6.758 4.826 1.00 0.00 H new ATOM 0 HB THR A 28 -3.604 6.274 2.901 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.904 8.368 2.633 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.455 5.927 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.527 4.735 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.638 6.125 2.584 1.00 0.00 H new ATOM 403 N ASP A 29 -5.768 4.427 5.639 1.00 0.00 N ATOM 404 CA ASP A 29 -5.865 3.014 5.913 1.00 0.00 C ATOM 405 C ASP A 29 -5.745 2.256 4.605 1.00 0.00 C ATOM 406 O ASP A 29 -6.386 2.613 3.620 1.00 0.00 O ATOM 407 CB ASP A 29 -7.209 2.699 6.559 1.00 0.00 C ATOM 408 CG ASP A 29 -7.207 1.345 7.239 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.584 0.412 6.687 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.696 1.252 8.387 1.00 0.00 O ATOM 0 H ASP A 29 -6.575 4.968 5.951 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.068 2.718 6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.450 3.471 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.991 2.723 5.800 1.00 0.00 H new ATOM 415 N PHE A 30 -4.963 1.184 4.618 1.00 0.00 N ATOM 416 CA PHE A 30 -4.871 0.240 3.525 1.00 0.00 C ATOM 417 C PHE A 30 -6.247 -0.116 2.966 1.00 0.00 C ATOM 418 O PHE A 30 -6.406 -0.289 1.753 1.00 0.00 O ATOM 419 CB PHE A 30 -4.157 -1.017 4.019 1.00 0.00 C ATOM 420 CG PHE A 30 -3.449 -1.743 2.905 1.00 0.00 C ATOM 421 CD1 PHE A 30 -4.184 -2.384 1.896 1.00 0.00 C ATOM 422 CD2 PHE A 30 -2.060 -1.605 2.774 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.533 -2.823 0.737 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.397 -2.140 1.663 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.140 -2.719 0.632 1.00 0.00 C ATOM 0 H PHE A 30 -4.364 0.947 5.409 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.305 0.699 2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.435 -0.744 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.882 -1.686 4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.247 -2.538 2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.498 -1.083 3.534 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.105 -3.242 -0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.319 -2.105 1.604 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.638 -3.088 -0.250 1.00 0.00 H new ATOM 435 N LYS A 31 -7.265 -0.241 3.824 1.00 0.00 N ATOM 436 CA LYS A 31 -8.562 -0.612 3.280 1.00 0.00 C ATOM 437 C LYS A 31 -9.107 0.522 2.406 1.00 0.00 C ATOM 438 O LYS A 31 -9.595 0.274 1.305 1.00 0.00 O ATOM 439 CB LYS A 31 -9.506 -1.095 4.374 1.00 0.00 C ATOM 440 CG LYS A 31 -9.923 0.079 5.239 1.00 0.00 C ATOM 441 CD LYS A 31 -10.652 -0.408 6.481 1.00 0.00 C ATOM 442 CE LYS A 31 -11.073 0.828 7.285 1.00 0.00 C ATOM 443 NZ LYS A 31 -11.729 0.468 8.553 1.00 0.00 N ATOM 0 H LYS A 31 -7.221 -0.100 4.833 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.456 -1.472 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.385 -1.563 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.015 -1.853 4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.044 0.655 5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.569 0.747 4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.524 -1.001 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.005 -1.051 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.196 1.441 7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.752 1.435 6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.997 1.334 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.581 -0.095 8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.073 -0.090 9.137 1.00 0.00 H new ATOM 457 N ASP A 32 -8.955 1.760 2.883 1.00 0.00 N ATOM 458 CA ASP A 32 -9.456 2.976 2.266 1.00 0.00 C ATOM 459 C ASP A 32 -8.668 3.317 0.998 1.00 0.00 C ATOM 460 O ASP A 32 -9.155 4.093 0.178 1.00 0.00 O ATOM 461 CB ASP A 32 -9.404 4.137 3.277 1.00 0.00 C ATOM 462 CG ASP A 32 -10.430 4.019 4.402 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.324 3.052 5.189 1.00 0.00 O ATOM 464 OD2 ASP A 32 -11.305 4.907 4.473 1.00 0.00 O ATOM 0 H ASP A 32 -8.454 1.943 3.752 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.493 2.814 1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.405 4.184 3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.566 5.076 2.747 1.00 0.00 H new ATOM 469 N ILE A 33 -7.463 2.760 0.807 1.00 0.00 N ATOM 470 CA ILE A 33 -6.716 2.939 -0.420 1.00 0.00 C ATOM 471 C ILE A 33 -7.603 2.547 -1.603 1.00 0.00 C ATOM 472 O ILE A 33 -8.207 1.472 -1.561 1.00 0.00 O ATOM 473 CB ILE A 33 -5.475 2.058 -0.377 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.564 2.496 0.760 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.662 2.109 -1.647 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.213 1.786 0.742 1.00 0.00 C ATOM 0 H ILE A 33 -6.992 2.179 1.501 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.411 3.980 -0.531 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.840 1.040 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.405 3.572 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.059 2.302 1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.793 1.459 -1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.274 1.773 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.332 3.132 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.606 2.138 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.366 0.711 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.701 2.001 -0.196 1.00 0.00 H new ATOM 488 N PRO A 34 -7.654 3.364 -2.660 1.00 0.00 N ATOM 489 CA PRO A 34 -8.457 3.065 -3.824 1.00 0.00 C ATOM 490 C PRO A 34 -7.925 1.812 -4.516 1.00 0.00 C ATOM 491 O PRO A 34 -6.716 1.621 -4.620 1.00 0.00 O ATOM 492 CB PRO A 34 -8.345 4.281 -4.742 1.00 0.00 C ATOM 493 CG PRO A 34 -7.245 5.176 -4.160 1.00 0.00 C ATOM 494 CD PRO A 34 -6.782 4.503 -2.868 1.00 0.00 C ATOM 0 HA PRO A 34 -9.496 2.871 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.098 3.976 -5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.293 4.816 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.418 5.281 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.624 6.179 -3.962 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.742 4.186 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.841 5.195 -2.028 1.00 0.00 H new ATOM 502 N ASP A 35 -8.818 0.971 -5.033 1.00 0.00 N ATOM 503 CA ASP A 35 -8.441 -0.240 -5.736 1.00 0.00 C ATOM 504 C ASP A 35 -7.760 0.063 -7.075 1.00 0.00 C ATOM 505 O ASP A 35 -7.140 -0.825 -7.656 1.00 0.00 O ATOM 506 CB ASP A 35 -9.681 -1.135 -5.852 1.00 0.00 C ATOM 507 CG ASP A 35 -9.675 -2.270 -4.829 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.261 -2.014 -3.673 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.106 -3.376 -5.218 1.00 0.00 O ATOM 0 H ASP A 35 -9.826 1.116 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.684 -0.785 -5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.577 -0.530 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.731 -1.555 -6.857 1.00 0.00 H new ATOM 514 N ASP A 36 -7.819 1.315 -7.548 1.00 0.00 N ATOM 515 CA ASP A 36 -7.037 1.762 -8.685 1.00 0.00 C ATOM 516 C ASP A 36 -5.561 1.966 -8.328 1.00 0.00 C ATOM 517 O ASP A 36 -4.719 2.002 -9.225 1.00 0.00 O ATOM 518 CB ASP A 36 -7.675 3.016 -9.296 1.00 0.00 C ATOM 519 CG ASP A 36 -7.538 4.269 -8.441 1.00 0.00 C ATOM 520 OD1 ASP A 36 -6.393 4.734 -8.267 1.00 0.00 O ATOM 521 OD2 ASP A 36 -8.596 4.739 -7.973 1.00 0.00 O ATOM 0 H ASP A 36 -8.414 2.039 -7.146 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.047 0.977 -9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.221 3.203 -10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.734 2.823 -9.470 1.00 0.00 H new ATOM 526 N TRP A 37 -5.228 2.068 -7.037 1.00 0.00 N ATOM 527 CA TRP A 37 -3.852 2.252 -6.618 1.00 0.00 C ATOM 528 C TRP A 37 -3.095 0.930 -6.754 1.00 0.00 C ATOM 529 O TRP A 37 -3.652 -0.154 -6.570 1.00 0.00 O ATOM 530 CB TRP A 37 -3.798 2.780 -5.185 1.00 0.00 C ATOM 531 CG TRP A 37 -2.421 2.957 -4.626 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.591 4.007 -4.812 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.675 1.999 -3.828 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.416 3.789 -4.117 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.409 2.557 -3.496 1.00 0.00 C ATOM 536 CE3 TRP A 37 -1.951 0.699 -3.370 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.531 1.864 -2.719 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.019 -0.010 -2.590 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.223 0.569 -2.269 1.00 0.00 C ATOM 0 H TRP A 37 -5.900 2.025 -6.271 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.373 2.992 -7.259 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.315 3.739 -5.148 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.350 2.095 -4.541 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.811 4.879 -5.410 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.353 4.458 -4.069 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.894 0.237 -3.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.478 2.319 -2.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.258 -1.002 -2.236 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.939 0.018 -1.677 1.00 0.00 H new ATOM 550 N VAL A 38 -1.805 1.038 -7.065 1.00 0.00 N ATOM 551 CA VAL A 38 -0.905 -0.079 -7.296 1.00 0.00 C ATOM 552 C VAL A 38 0.362 0.170 -6.477 1.00 0.00 C ATOM 553 O VAL A 38 0.613 1.302 -6.062 1.00 0.00 O ATOM 554 CB VAL A 38 -0.629 -0.198 -8.811 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.299 -1.371 -9.154 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.940 -0.371 -9.594 1.00 0.00 C ATOM 0 H VAL A 38 -1.345 1.943 -7.166 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.336 -1.028 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.134 0.730 -9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.458 -1.406 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.256 -1.237 -8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.157 -2.304 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.720 -0.453 -10.658 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.448 -1.275 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.583 0.492 -9.422 1.00 0.00 H new ATOM 566 N CYS A 39 1.137 -0.893 -6.242 1.00 0.00 N ATOM 567 CA CYS A 39 2.472 -0.836 -5.661 1.00 0.00 C ATOM 568 C CYS A 39 3.276 0.308 -6.300 1.00 0.00 C ATOM 569 O CYS A 39 3.133 0.558 -7.497 1.00 0.00 O ATOM 570 CB CYS A 39 3.167 -2.158 -5.906 1.00 0.00 C ATOM 571 SG CYS A 39 3.764 -2.923 -4.379 1.00 0.00 S ATOM 0 H CYS A 39 0.839 -1.844 -6.459 1.00 0.00 H new ATOM 0 HA CYS A 39 2.400 -0.651 -4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.478 -2.840 -6.404 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.007 -2.003 -6.583 1.00 0.00 H new ATOM 576 N PRO A 40 4.138 1.000 -5.541 1.00 0.00 N ATOM 577 CA PRO A 40 4.877 2.141 -6.051 1.00 0.00 C ATOM 578 C PRO A 40 5.843 1.733 -7.166 1.00 0.00 C ATOM 579 O PRO A 40 5.970 2.441 -8.162 1.00 0.00 O ATOM 580 CB PRO A 40 5.598 2.732 -4.835 1.00 0.00 C ATOM 581 CG PRO A 40 5.731 1.555 -3.874 1.00 0.00 C ATOM 582 CD PRO A 40 4.465 0.746 -4.147 1.00 0.00 C ATOM 0 HA PRO A 40 4.221 2.879 -6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.573 3.137 -5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.027 3.547 -4.390 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.632 0.974 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.784 1.885 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.632 -0.316 -3.970 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.652 1.055 -3.490 1.00 0.00 H new ATOM 590 N LEU A 41 6.545 0.607 -6.992 1.00 0.00 N ATOM 591 CA LEU A 41 7.556 0.125 -7.928 1.00 0.00 C ATOM 592 C LEU A 41 7.380 -1.379 -8.160 1.00 0.00 C ATOM 593 O LEU A 41 8.354 -2.129 -8.167 1.00 0.00 O ATOM 594 CB LEU A 41 8.962 0.459 -7.392 1.00 0.00 C ATOM 595 CG LEU A 41 9.250 1.966 -7.260 1.00 0.00 C ATOM 596 CD1 LEU A 41 10.577 2.177 -6.524 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.345 2.653 -8.629 1.00 0.00 C ATOM 0 H LEU A 41 6.421 -0.001 -6.183 1.00 0.00 H new ATOM 0 HA LEU A 41 7.436 0.624 -8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.086 -0.009 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.705 0.016 -8.055 1.00 0.00 H new ATOM 0 HG LEU A 41 8.422 2.405 -6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.777 3.245 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.517 1.733 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.383 1.704 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.549 3.715 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.151 2.201 -9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.403 2.532 -9.163 1.00 0.00 H new ATOM 609 N CYS A 42 6.138 -1.822 -8.365 1.00 0.00 N ATOM 610 CA CYS A 42 5.787 -3.212 -8.616 1.00 0.00 C ATOM 611 C CYS A 42 4.426 -3.184 -9.314 1.00 0.00 C ATOM 612 O CYS A 42 3.694 -2.203 -9.188 1.00 0.00 O ATOM 613 CB CYS A 42 5.873 -4.001 -7.322 1.00 0.00 C ATOM 614 SG CYS A 42 4.634 -5.313 -7.099 1.00 0.00 S ATOM 0 H CYS A 42 5.328 -1.201 -8.360 1.00 0.00 H new ATOM 0 HA CYS A 42 6.475 -3.739 -9.277 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.864 -4.451 -7.260 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.787 -3.303 -6.489 1.00 0.00 H new ATOM 619 N GLY A 43 4.140 -4.194 -10.139 1.00 0.00 N ATOM 620 CA GLY A 43 3.003 -4.220 -11.044 1.00 0.00 C ATOM 621 C GLY A 43 2.121 -5.416 -10.719 1.00 0.00 C ATOM 622 O GLY A 43 2.283 -6.478 -11.316 1.00 0.00 O ATOM 0 H GLY A 43 4.713 -5.036 -10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.430 -3.297 -10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.348 -4.279 -12.076 1.00 0.00 H new ATOM 626 N VAL A 44 1.192 -5.240 -9.775 1.00 0.00 N ATOM 627 CA VAL A 44 0.288 -6.299 -9.339 1.00 0.00 C ATOM 628 C VAL A 44 -1.087 -5.724 -8.980 1.00 0.00 C ATOM 629 O VAL A 44 -2.098 -6.182 -9.505 1.00 0.00 O ATOM 630 CB VAL A 44 0.954 -7.128 -8.222 1.00 0.00 C ATOM 631 CG1 VAL A 44 1.250 -6.335 -6.942 1.00 0.00 C ATOM 632 CG2 VAL A 44 0.123 -8.371 -7.886 1.00 0.00 C ATOM 0 H VAL A 44 1.048 -4.353 -9.292 1.00 0.00 H new ATOM 0 HA VAL A 44 0.097 -6.996 -10.155 1.00 0.00 H new ATOM 0 HB VAL A 44 1.920 -7.429 -8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.718 -6.991 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.924 -5.510 -7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.319 -5.940 -6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.617 -8.936 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.868 -8.066 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.028 -8.996 -8.774 1.00 0.00 H new ATOM 642 N GLY A 45 -1.120 -4.698 -8.124 1.00 0.00 N ATOM 643 CA GLY A 45 -2.346 -4.090 -7.617 1.00 0.00 C ATOM 644 C GLY A 45 -2.516 -4.439 -6.142 1.00 0.00 C ATOM 645 O GLY A 45 -1.970 -5.439 -5.683 1.00 0.00 O ATOM 0 H GLY A 45 -0.274 -4.260 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.307 -3.008 -7.743 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.204 -4.447 -8.187 1.00 0.00 H new ATOM 649 N LYS A 46 -3.236 -3.612 -5.377 1.00 0.00 N ATOM 650 CA LYS A 46 -3.475 -3.920 -3.973 1.00 0.00 C ATOM 651 C LYS A 46 -4.318 -5.201 -3.863 1.00 0.00 C ATOM 652 O LYS A 46 -5.506 -5.190 -4.169 1.00 0.00 O ATOM 653 CB LYS A 46 -4.064 -2.706 -3.230 1.00 0.00 C ATOM 654 CG LYS A 46 -5.517 -2.333 -3.569 1.00 0.00 C ATOM 655 CD LYS A 46 -6.050 -1.141 -2.774 1.00 0.00 C ATOM 656 CE LYS A 46 -6.126 -1.447 -1.273 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.390 -0.953 -0.679 1.00 0.00 N ATOM 0 H LYS A 46 -3.655 -2.741 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.531 -4.125 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.002 -2.899 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.433 -1.841 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.585 -2.108 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.156 -3.196 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.405 -0.278 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.041 -0.873 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.045 -2.523 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.280 -0.986 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.209 -0.607 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.767 -0.177 -1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.083 -1.728 -0.644 1.00 0.00 H new ATOM 671 N ASP A 47 -3.716 -6.310 -3.435 1.00 0.00 N ATOM 672 CA ASP A 47 -4.401 -7.553 -3.135 1.00 0.00 C ATOM 673 C ASP A 47 -3.467 -8.362 -2.241 1.00 0.00 C ATOM 674 O ASP A 47 -2.265 -8.099 -2.217 1.00 0.00 O ATOM 675 CB ASP A 47 -4.761 -8.320 -4.415 1.00 0.00 C ATOM 676 CG ASP A 47 -5.476 -9.633 -4.113 1.00 0.00 C ATOM 677 OD1 ASP A 47 -6.136 -9.692 -3.050 1.00 0.00 O ATOM 678 OD2 ASP A 47 -5.325 -10.565 -4.929 1.00 0.00 O ATOM 0 H ASP A 47 -2.708 -6.363 -3.285 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.347 -7.360 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.397 -7.697 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.853 -8.524 -4.983 1.00 0.00 H new ATOM 683 N GLN A 48 -4.043 -9.297 -1.490 1.00 0.00 N ATOM 684 CA GLN A 48 -3.360 -10.277 -0.660 1.00 0.00 C ATOM 685 C GLN A 48 -2.223 -9.636 0.150 1.00 0.00 C ATOM 686 O GLN A 48 -1.078 -10.084 0.101 1.00 0.00 O ATOM 687 CB GLN A 48 -2.918 -11.439 -1.561 1.00 0.00 C ATOM 688 CG GLN A 48 -2.492 -12.683 -0.765 1.00 0.00 C ATOM 689 CD GLN A 48 -3.324 -13.908 -1.137 1.00 0.00 C ATOM 690 OE1 GLN A 48 -2.824 -14.858 -1.728 1.00 0.00 O ATOM 691 NE2 GLN A 48 -4.609 -13.900 -0.791 1.00 0.00 N ATOM 0 H GLN A 48 -5.057 -9.394 -1.444 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.032 -10.679 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.736 -11.705 -2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.087 -11.112 -2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.438 -12.890 -0.951 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.595 -12.484 0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.000 -13.096 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.203 -14.698 -1.017 1.00 0.00 H new ATOM 700 N PHE A 49 -2.583 -8.586 0.895 1.00 0.00 N ATOM 701 CA PHE A 49 -1.711 -7.786 1.743 1.00 0.00 C ATOM 702 C PHE A 49 -1.887 -8.240 3.196 1.00 0.00 C ATOM 703 O PHE A 49 -2.980 -8.135 3.751 1.00 0.00 O ATOM 704 CB PHE A 49 -2.045 -6.291 1.553 1.00 0.00 C ATOM 705 CG PHE A 49 -3.528 -5.965 1.414 1.00 0.00 C ATOM 706 CD1 PHE A 49 -4.318 -5.684 2.545 1.00 0.00 C ATOM 707 CD2 PHE A 49 -4.124 -5.956 0.140 1.00 0.00 C ATOM 708 CE1 PHE A 49 -5.683 -5.384 2.404 1.00 0.00 C ATOM 709 CE2 PHE A 49 -5.494 -5.670 -0.004 1.00 0.00 C ATOM 710 CZ PHE A 49 -6.272 -5.373 1.128 1.00 0.00 C ATOM 0 H PHE A 49 -3.548 -8.257 0.920 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.665 -7.924 1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.646 -5.736 2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.526 -5.930 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.871 -5.699 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.526 -6.170 -0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.280 -5.162 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.948 -5.679 -0.984 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.320 -5.137 1.018 1.00 0.00 H new ATOM 720 N GLU A 50 -0.824 -8.748 3.821 1.00 0.00 N ATOM 721 CA GLU A 50 -0.830 -9.150 5.220 1.00 0.00 C ATOM 722 C GLU A 50 -0.541 -7.932 6.089 1.00 0.00 C ATOM 723 O GLU A 50 0.190 -7.043 5.666 1.00 0.00 O ATOM 724 CB GLU A 50 0.240 -10.221 5.440 1.00 0.00 C ATOM 725 CG GLU A 50 -0.245 -11.580 4.914 1.00 0.00 C ATOM 726 CD GLU A 50 0.811 -12.668 5.060 1.00 0.00 C ATOM 727 OE1 GLU A 50 1.621 -12.557 6.006 1.00 0.00 O ATOM 728 OE2 GLU A 50 0.782 -13.598 4.226 1.00 0.00 O ATOM 0 H GLU A 50 0.075 -8.892 3.360 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.804 -9.559 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.160 -9.934 4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.474 -10.298 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.145 -11.876 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.521 -11.483 3.864 1.00 0.00 H new ATOM 735 N GLU A 51 -1.100 -7.877 7.297 1.00 0.00 N ATOM 736 CA GLU A 51 -0.883 -6.788 8.223 1.00 0.00 C ATOM 737 C GLU A 51 0.467 -6.981 8.916 1.00 0.00 C ATOM 738 O GLU A 51 0.826 -8.099 9.277 1.00 0.00 O ATOM 739 CB GLU A 51 -2.064 -6.788 9.196 1.00 0.00 C ATOM 740 CG GLU A 51 -1.848 -5.819 10.352 1.00 0.00 C ATOM 741 CD GLU A 51 -3.161 -5.506 11.061 1.00 0.00 C ATOM 742 OE1 GLU A 51 -4.090 -5.062 10.349 1.00 0.00 O ATOM 743 OE2 GLU A 51 -3.214 -5.692 12.295 1.00 0.00 O ATOM 0 H GLU A 51 -1.723 -8.601 7.656 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.840 -5.818 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.975 -6.518 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.211 -7.794 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.141 -6.248 11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.404 -4.896 9.978 1.00 0.00 H new ATOM 750 N VAL A 52 1.216 -5.891 9.085 1.00 0.00 N ATOM 751 CA VAL A 52 2.516 -5.859 9.706 1.00 0.00 C ATOM 752 C VAL A 52 2.355 -5.316 11.129 1.00 0.00 C ATOM 753 O VAL A 52 2.156 -4.119 11.344 1.00 0.00 O ATOM 754 CB VAL A 52 3.438 -5.016 8.810 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.712 -4.605 9.540 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.817 -5.773 7.540 1.00 0.00 C ATOM 0 H VAL A 52 0.907 -4.970 8.774 1.00 0.00 H new ATOM 0 HA VAL A 52 2.972 -6.844 9.801 1.00 0.00 H new ATOM 0 HB VAL A 52 2.878 -4.119 8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.337 -4.011 8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.453 -4.014 10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.257 -5.496 9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.469 -5.151 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.338 -6.693 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.915 -6.016 6.979 1.00 0.00 H new ATOM 766 N GLU A 53 2.440 -6.225 12.099 1.00 0.00 N ATOM 767 CA GLU A 53 2.308 -5.979 13.519 1.00 0.00 C ATOM 768 C GLU A 53 3.524 -5.254 14.124 1.00 0.00 C ATOM 769 O GLU A 53 4.268 -5.793 14.939 1.00 0.00 O ATOM 770 CB GLU A 53 2.001 -7.315 14.201 1.00 0.00 C ATOM 771 CG GLU A 53 3.064 -8.409 14.005 1.00 0.00 C ATOM 772 CD GLU A 53 2.589 -9.737 14.579 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.888 -10.452 13.832 1.00 0.00 O ATOM 774 OE2 GLU A 53 2.918 -10.006 15.754 1.00 0.00 O ATOM 0 H GLU A 53 2.613 -7.209 11.894 1.00 0.00 H new ATOM 0 HA GLU A 53 1.484 -5.287 13.692 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.876 -7.139 15.269 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.047 -7.686 13.825 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.282 -8.524 12.943 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.993 -8.110 14.490 1.00 0.00 H new ATOM 781 N GLU A 54 3.686 -3.994 13.741 1.00 0.00 N ATOM 782 CA GLU A 54 4.403 -3.028 14.575 1.00 0.00 C ATOM 783 C GLU A 54 3.727 -2.985 15.955 1.00 0.00 C ATOM 784 O GLU A 54 2.473 -3.030 15.972 1.00 0.00 O ATOM 785 CB GLU A 54 4.354 -1.619 13.975 1.00 0.00 C ATOM 786 CG GLU A 54 4.977 -1.471 12.579 1.00 0.00 C ATOM 787 CD GLU A 54 6.487 -1.224 12.533 1.00 0.00 C ATOM 788 OE1 GLU A 54 7.106 -1.071 13.604 1.00 0.00 O ATOM 789 OE2 GLU A 54 6.999 -1.130 11.391 1.00 0.00 O ATOM 790 OXT GLU A 54 4.460 -2.871 16.962 1.00 0.00 O ATOM 0 H GLU A 54 3.333 -3.615 12.862 1.00 0.00 H new ATOM 0 HA GLU A 54 5.445 -3.340 14.644 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.313 -1.301 13.924 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.863 -0.936 14.655 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.761 -2.375 12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.480 -0.647 12.068 1.00 0.00 H new TER 797 GLU A 54 HETATM 798 FE FE A 55 4.796 -4.856 -4.905 1.00 0.00 FE