USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=9 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+ 167:sc= -0.345! (180deg=-1.3!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0757 USER MOD Single : A 11 TYR OH : rot 151:sc= 0 USER MOD Single : A 13 TYR OH : rot 162:sc= 0.956 USER MOD Single : A 14 ASN : amide:sc= -1.25 K(o=-1.2,f=-8.9!) USER MOD Single : A 22 ASN : amide:sc= -0.624 X(o=-0.62,f=-0.65) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 105:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 0.703 (180deg=0.574) USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= 2.18 (180deg=1.95) USER MOD Single : A 48 GLN : amide:sc= -0.047 X(o=-0.047,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.055 0.263 9.180 1.00 0.00 N ATOM 2 CA MET A 1 -4.944 0.786 9.992 1.00 0.00 C ATOM 3 C MET A 1 -3.847 -0.251 9.930 1.00 0.00 C ATOM 4 O MET A 1 -4.075 -1.309 9.355 1.00 0.00 O ATOM 5 CB MET A 1 -4.432 2.173 9.560 1.00 0.00 C ATOM 6 CG MET A 1 -5.430 3.270 9.910 1.00 0.00 C ATOM 7 SD MET A 1 -4.992 4.953 9.392 1.00 0.00 S ATOM 8 CE MET A 1 -3.804 5.405 10.681 1.00 0.00 C ATOM 0 H1 MET A 1 -6.912 0.823 9.362 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.808 0.326 8.172 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.231 -0.731 9.432 1.00 0.00 H new ATOM 0 HA MET A 1 -5.298 0.951 11.010 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.479 2.378 10.047 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.248 2.176 8.486 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.390 3.014 9.463 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.572 3.271 10.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.441 6.417 10.502 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.290 5.360 11.656 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.965 4.710 10.662 1.00 0.00 H new ATOM 20 N LYS A 2 -2.724 0.056 10.566 1.00 0.00 N ATOM 21 CA LYS A 2 -1.502 -0.726 10.592 1.00 0.00 C ATOM 22 C LYS A 2 -0.817 -0.823 9.232 1.00 0.00 C ATOM 23 O LYS A 2 -1.415 -0.579 8.185 1.00 0.00 O ATOM 24 CB LYS A 2 -1.756 -2.119 11.134 1.00 0.00 C ATOM 25 CG LYS A 2 -2.539 -2.101 12.448 1.00 0.00 C ATOM 26 CD LYS A 2 -2.656 -3.576 12.797 1.00 0.00 C ATOM 27 CE LYS A 2 -3.554 -3.900 13.993 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.020 -3.350 15.253 1.00 0.00 N ATOM 0 H LYS A 2 -2.641 0.914 11.112 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.825 -0.191 11.258 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.307 -2.699 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.803 -2.625 11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.014 -1.543 13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.517 -1.636 12.328 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.035 -4.109 11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.658 -3.964 12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.551 -3.498 13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.658 -4.981 14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.659 -3.593 16.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.079 -3.753 15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.945 -2.316 15.176 1.00 0.00 H new ATOM 42 N LYS A 3 0.457 -1.198 9.257 1.00 0.00 N ATOM 43 CA LYS A 3 1.265 -1.333 8.064 1.00 0.00 C ATOM 44 C LYS A 3 0.913 -2.636 7.367 1.00 0.00 C ATOM 45 O LYS A 3 0.299 -3.512 7.972 1.00 0.00 O ATOM 46 CB LYS A 3 2.741 -1.243 8.454 1.00 0.00 C ATOM 47 CG LYS A 3 3.007 0.129 9.075 1.00 0.00 C ATOM 48 CD LYS A 3 4.437 0.304 9.596 1.00 0.00 C ATOM 49 CE LYS A 3 5.482 0.351 8.481 1.00 0.00 C ATOM 50 NZ LYS A 3 6.837 0.560 9.020 1.00 0.00 N ATOM 0 H LYS A 3 0.957 -1.418 10.118 1.00 0.00 H new ATOM 0 HA LYS A 3 1.065 -0.528 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.992 -2.032 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.372 -1.389 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.804 0.900 8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.309 0.287 9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.495 1.224 10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.673 -0.517 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.454 -0.580 7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.238 1.154 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.522 0.587 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.869 1.461 9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.078 -0.220 9.664 1.00 0.00 H new ATOM 64 N TYR A 4 1.304 -2.768 6.099 1.00 0.00 N ATOM 65 CA TYR A 4 1.090 -3.993 5.332 1.00 0.00 C ATOM 66 C TYR A 4 2.259 -4.247 4.381 1.00 0.00 C ATOM 67 O TYR A 4 2.816 -3.287 3.849 1.00 0.00 O ATOM 68 CB TYR A 4 -0.202 -3.928 4.497 1.00 0.00 C ATOM 69 CG TYR A 4 -1.514 -4.154 5.225 1.00 0.00 C ATOM 70 CD1 TYR A 4 -2.009 -3.218 6.146 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.262 -5.313 4.959 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.127 -3.537 6.932 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.416 -5.609 5.704 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.833 -4.728 6.714 1.00 0.00 C ATOM 75 OH TYR A 4 -4.958 -4.989 7.436 1.00 0.00 O ATOM 0 H TYR A 4 1.777 -2.030 5.577 1.00 0.00 H new ATOM 0 HA TYR A 4 1.008 -4.803 6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.246 -2.949 4.019 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.126 -4.668 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.531 -2.255 6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.947 -5.984 4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.446 -2.860 7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.978 -6.508 5.501 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.329 -5.854 7.163 1.00 0.00 H new ATOM 85 N THR A 5 2.596 -5.520 4.134 1.00 0.00 N ATOM 86 CA THR A 5 3.616 -5.910 3.149 1.00 0.00 C ATOM 87 C THR A 5 3.016 -6.352 1.800 1.00 0.00 C ATOM 88 O THR A 5 1.956 -6.983 1.771 1.00 0.00 O ATOM 89 CB THR A 5 4.584 -6.944 3.747 1.00 0.00 C ATOM 90 OG1 THR A 5 5.669 -7.135 2.865 1.00 0.00 O ATOM 91 CG2 THR A 5 3.926 -8.287 4.052 1.00 0.00 C ATOM 0 H THR A 5 2.168 -6.312 4.613 1.00 0.00 H new ATOM 0 HA THR A 5 4.198 -5.019 2.914 1.00 0.00 H new ATOM 0 HB THR A 5 4.926 -6.542 4.701 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.288 -7.793 3.245 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.667 -8.968 4.471 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.119 -8.142 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.522 -8.711 3.133 1.00 0.00 H new ATOM 99 N CYS A 6 3.703 -6.009 0.697 1.00 0.00 N ATOM 100 CA CYS A 6 3.365 -6.350 -0.683 1.00 0.00 C ATOM 101 C CYS A 6 3.864 -7.757 -1.010 1.00 0.00 C ATOM 102 O CYS A 6 5.063 -8.040 -0.941 1.00 0.00 O ATOM 103 CB CYS A 6 3.948 -5.337 -1.643 1.00 0.00 C ATOM 104 SG CYS A 6 3.472 -5.712 -3.367 1.00 0.00 S ATOM 0 H CYS A 6 4.557 -5.454 0.755 1.00 0.00 H new ATOM 0 HA CYS A 6 2.281 -6.330 -0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.602 -4.338 -1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.034 -5.332 -1.556 1.00 0.00 H new ATOM 109 N THR A 7 2.920 -8.625 -1.374 1.00 0.00 N ATOM 110 CA THR A 7 3.077 -10.039 -1.648 1.00 0.00 C ATOM 111 C THR A 7 4.340 -10.385 -2.454 1.00 0.00 C ATOM 112 O THR A 7 5.296 -10.928 -1.905 1.00 0.00 O ATOM 113 CB THR A 7 1.772 -10.484 -2.325 1.00 0.00 C ATOM 114 OG1 THR A 7 0.687 -10.023 -1.542 1.00 0.00 O ATOM 115 CG2 THR A 7 1.674 -11.999 -2.510 1.00 0.00 C ATOM 0 H THR A 7 1.952 -8.326 -1.492 1.00 0.00 H new ATOM 0 HA THR A 7 3.240 -10.590 -0.722 1.00 0.00 H new ATOM 0 HB THR A 7 1.750 -10.054 -3.326 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.157 -10.296 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.729 -12.246 -2.993 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.501 -12.344 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.723 -12.488 -1.537 1.00 0.00 H new ATOM 123 N VAL A 8 4.346 -10.133 -3.767 1.00 0.00 N ATOM 124 CA VAL A 8 5.376 -10.646 -4.671 1.00 0.00 C ATOM 125 C VAL A 8 6.410 -9.550 -4.949 1.00 0.00 C ATOM 126 O VAL A 8 6.748 -9.265 -6.095 1.00 0.00 O ATOM 127 CB VAL A 8 4.699 -11.275 -5.909 1.00 0.00 C ATOM 128 CG1 VAL A 8 3.882 -10.291 -6.760 1.00 0.00 C ATOM 129 CG2 VAL A 8 5.689 -12.052 -6.791 1.00 0.00 C ATOM 0 H VAL A 8 3.636 -9.567 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 8 5.951 -11.456 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 8 3.984 -11.979 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.443 -10.819 -7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.088 -9.857 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.534 -9.498 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.161 -12.473 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.470 -11.378 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.139 -12.857 -6.210 1.00 0.00 H new ATOM 139 N CYS A 9 6.888 -8.905 -3.881 1.00 0.00 N ATOM 140 CA CYS A 9 7.535 -7.603 -3.984 1.00 0.00 C ATOM 141 C CYS A 9 8.374 -7.346 -2.730 1.00 0.00 C ATOM 142 O CYS A 9 9.593 -7.209 -2.817 1.00 0.00 O ATOM 143 CB CYS A 9 6.429 -6.599 -4.149 1.00 0.00 C ATOM 144 SG CYS A 9 6.938 -4.893 -4.449 1.00 0.00 S ATOM 0 H CYS A 9 6.836 -9.271 -2.930 1.00 0.00 H new ATOM 0 HA CYS A 9 8.220 -7.541 -4.830 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.797 -6.919 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.811 -6.619 -3.251 1.00 0.00 H new ATOM 149 N GLY A 10 7.735 -7.311 -1.555 1.00 0.00 N ATOM 150 CA GLY A 10 8.409 -7.077 -0.287 1.00 0.00 C ATOM 151 C GLY A 10 8.325 -5.622 0.179 1.00 0.00 C ATOM 152 O GLY A 10 8.630 -5.348 1.340 1.00 0.00 O ATOM 0 H GLY A 10 6.728 -7.446 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.971 -7.722 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.457 -7.362 -0.382 1.00 0.00 H new ATOM 156 N TYR A 11 7.921 -4.677 -0.682 1.00 0.00 N ATOM 157 CA TYR A 11 7.688 -3.306 -0.235 1.00 0.00 C ATOM 158 C TYR A 11 6.614 -3.289 0.857 1.00 0.00 C ATOM 159 O TYR A 11 5.662 -4.065 0.805 1.00 0.00 O ATOM 160 CB TYR A 11 7.300 -2.388 -1.406 1.00 0.00 C ATOM 161 CG TYR A 11 8.455 -1.614 -2.012 1.00 0.00 C ATOM 162 CD1 TYR A 11 9.087 -0.609 -1.254 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.795 -1.779 -3.367 1.00 0.00 C ATOM 164 CE1 TYR A 11 10.043 0.230 -1.849 1.00 0.00 C ATOM 165 CE2 TYR A 11 9.753 -0.939 -3.961 1.00 0.00 C ATOM 166 CZ TYR A 11 10.354 0.082 -3.210 1.00 0.00 C ATOM 167 OH TYR A 11 11.221 0.951 -3.803 1.00 0.00 O ATOM 0 H TYR A 11 7.752 -4.837 -1.675 1.00 0.00 H new ATOM 0 HA TYR A 11 8.618 -2.919 0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.836 -2.992 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.547 -1.680 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.835 -0.483 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.319 -2.552 -3.952 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.538 0.988 -1.260 1.00 0.00 H new ATOM 0 HE2 TYR A 11 10.026 -1.080 -4.996 1.00 0.00 H new ATOM 0 HH TYR A 11 11.681 0.501 -4.542 1.00 0.00 H new ATOM 177 N ILE A 12 6.771 -2.410 1.851 1.00 0.00 N ATOM 178 CA ILE A 12 5.836 -2.259 2.956 1.00 0.00 C ATOM 179 C ILE A 12 5.145 -0.904 2.845 1.00 0.00 C ATOM 180 O ILE A 12 5.806 0.132 2.856 1.00 0.00 O ATOM 181 CB ILE A 12 6.551 -2.501 4.301 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.615 -4.026 4.506 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.817 -1.838 5.480 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.591 -4.484 5.592 1.00 0.00 C ATOM 0 H ILE A 12 7.567 -1.775 1.906 1.00 0.00 H new ATOM 0 HA ILE A 12 5.051 -3.014 2.908 1.00 0.00 H new ATOM 0 HB ILE A 12 7.545 -2.056 4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.618 -4.388 4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.896 -4.494 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.359 -2.037 6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.762 -0.762 5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.809 -2.245 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.569 -5.571 5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.599 -4.158 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.301 -4.049 6.549 1.00 0.00 H new ATOM 196 N TYR A 13 3.815 -0.929 2.749 1.00 0.00 N ATOM 197 CA TYR A 13 2.976 0.252 2.787 1.00 0.00 C ATOM 198 C TYR A 13 2.787 0.652 4.250 1.00 0.00 C ATOM 199 O TYR A 13 2.603 -0.213 5.113 1.00 0.00 O ATOM 200 CB TYR A 13 1.627 -0.067 2.133 1.00 0.00 C ATOM 201 CG TYR A 13 0.592 1.032 2.304 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.566 2.127 1.431 1.00 0.00 C ATOM 203 CD2 TYR A 13 -0.241 1.031 3.432 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.191 3.266 1.754 1.00 0.00 C ATOM 205 CE2 TYR A 13 -1.032 2.156 3.742 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.990 3.293 2.910 1.00 0.00 C ATOM 207 OH TYR A 13 -1.822 4.366 3.100 1.00 0.00 O ATOM 0 H TYR A 13 3.287 -1.795 2.640 1.00 0.00 H new ATOM 0 HA TYR A 13 3.436 1.076 2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.782 -0.246 1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.236 -0.992 2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.128 2.096 0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.277 0.160 4.069 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.158 4.130 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.668 2.147 4.615 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.509 4.134 3.759 1.00 0.00 H new ATOM 217 N ASN A 14 2.802 1.961 4.516 1.00 0.00 N ATOM 218 CA ASN A 14 2.594 2.530 5.838 1.00 0.00 C ATOM 219 C ASN A 14 1.455 3.533 5.791 1.00 0.00 C ATOM 220 O ASN A 14 1.560 4.511 5.063 1.00 0.00 O ATOM 221 CB ASN A 14 3.881 3.217 6.310 1.00 0.00 C ATOM 222 CG ASN A 14 3.771 3.704 7.756 1.00 0.00 C ATOM 223 OD1 ASN A 14 2.705 3.673 8.361 1.00 0.00 O ATOM 224 ND2 ASN A 14 4.877 4.119 8.351 1.00 0.00 N ATOM 0 H ASN A 14 2.963 2.666 3.797 1.00 0.00 H new ATOM 0 HA ASN A 14 2.337 1.735 6.538 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.716 2.522 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.101 4.062 5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.850 4.419 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.757 4.139 7.835 1.00 0.00 H new ATOM 231 N PRO A 15 0.370 3.341 6.554 1.00 0.00 N ATOM 232 CA PRO A 15 -0.727 4.277 6.523 1.00 0.00 C ATOM 233 C PRO A 15 -0.355 5.609 7.128 1.00 0.00 C ATOM 234 O PRO A 15 -0.736 6.627 6.566 1.00 0.00 O ATOM 235 CB PRO A 15 -1.890 3.629 7.263 1.00 0.00 C ATOM 236 CG PRO A 15 -1.210 2.596 8.156 1.00 0.00 C ATOM 237 CD PRO A 15 0.106 2.245 7.468 1.00 0.00 C ATOM 0 HA PRO A 15 -1.004 4.495 5.491 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.451 4.358 7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.595 3.163 6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.033 2.999 9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.836 1.711 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.912 2.137 8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.029 1.298 6.934 1.00 0.00 H new ATOM 245 N GLU A 16 0.392 5.635 8.230 1.00 0.00 N ATOM 246 CA GLU A 16 0.722 6.892 8.872 1.00 0.00 C ATOM 247 C GLU A 16 1.507 7.802 7.923 1.00 0.00 C ATOM 248 O GLU A 16 1.358 9.022 7.966 1.00 0.00 O ATOM 249 CB GLU A 16 1.478 6.611 10.166 1.00 0.00 C ATOM 250 CG GLU A 16 0.588 5.865 11.178 1.00 0.00 C ATOM 251 CD GLU A 16 0.795 6.362 12.605 1.00 0.00 C ATOM 252 OE1 GLU A 16 1.971 6.540 12.985 1.00 0.00 O ATOM 253 OE2 GLU A 16 -0.236 6.577 13.279 1.00 0.00 O ATOM 0 H GLU A 16 0.773 4.807 8.688 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.193 7.428 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.366 6.016 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.821 7.550 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.458 5.990 10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.805 4.798 11.132 1.00 0.00 H new ATOM 260 N ASP A 17 2.290 7.191 7.032 1.00 0.00 N ATOM 261 CA ASP A 17 3.063 7.904 6.023 1.00 0.00 C ATOM 262 C ASP A 17 2.231 8.068 4.745 1.00 0.00 C ATOM 263 O ASP A 17 2.417 9.019 3.987 1.00 0.00 O ATOM 264 CB ASP A 17 4.337 7.121 5.698 1.00 0.00 C ATOM 265 CG ASP A 17 5.358 7.021 6.826 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.472 7.992 7.602 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.022 5.959 6.885 1.00 0.00 O ATOM 0 H ASP A 17 2.404 6.178 6.993 1.00 0.00 H new ATOM 0 HA ASP A 17 3.327 8.887 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.055 6.112 5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.818 7.586 4.838 1.00 0.00 H new ATOM 272 N GLY A 18 1.323 7.124 4.490 1.00 0.00 N ATOM 273 CA GLY A 18 0.667 6.947 3.214 1.00 0.00 C ATOM 274 C GLY A 18 1.679 6.554 2.137 1.00 0.00 C ATOM 275 O GLY A 18 2.778 6.092 2.436 1.00 0.00 O ATOM 0 H GLY A 18 1.022 6.448 5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.100 6.177 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.163 7.870 2.927 1.00 0.00 H new ATOM 279 N ASP A 19 1.296 6.762 0.876 1.00 0.00 N ATOM 280 CA ASP A 19 2.162 6.662 -0.292 1.00 0.00 C ATOM 281 C ASP A 19 1.800 7.816 -1.242 1.00 0.00 C ATOM 282 O ASP A 19 1.318 7.592 -2.360 1.00 0.00 O ATOM 283 CB ASP A 19 2.038 5.257 -0.928 1.00 0.00 C ATOM 284 CG ASP A 19 3.291 4.410 -0.730 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.376 4.909 -1.100 1.00 0.00 O ATOM 286 OD2 ASP A 19 3.134 3.260 -0.267 1.00 0.00 O ATOM 0 H ASP A 19 0.337 7.014 0.635 1.00 0.00 H new ATOM 0 HA ASP A 19 3.215 6.765 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.182 4.740 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.840 5.361 -1.995 1.00 0.00 H new ATOM 291 N PRO A 20 1.976 9.078 -0.810 1.00 0.00 N ATOM 292 CA PRO A 20 1.493 10.230 -1.555 1.00 0.00 C ATOM 293 C PRO A 20 2.152 10.313 -2.927 1.00 0.00 C ATOM 294 O PRO A 20 1.509 10.730 -3.888 1.00 0.00 O ATOM 295 CB PRO A 20 1.785 11.461 -0.693 1.00 0.00 C ATOM 296 CG PRO A 20 2.865 10.989 0.282 1.00 0.00 C ATOM 297 CD PRO A 20 2.583 9.496 0.444 1.00 0.00 C ATOM 0 HA PRO A 20 0.423 10.156 -1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.133 12.298 -1.299 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.893 11.799 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.865 11.167 -0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.801 11.514 1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.501 8.942 0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.914 9.312 1.285 1.00 0.00 H new ATOM 305 N ASP A 21 3.406 9.866 -3.032 1.00 0.00 N ATOM 306 CA ASP A 21 4.175 9.836 -4.259 1.00 0.00 C ATOM 307 C ASP A 21 3.445 9.028 -5.331 1.00 0.00 C ATOM 308 O ASP A 21 3.562 9.304 -6.523 1.00 0.00 O ATOM 309 CB ASP A 21 5.535 9.206 -3.936 1.00 0.00 C ATOM 310 CG ASP A 21 6.308 10.025 -2.914 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.836 10.040 -1.754 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.329 10.628 -3.311 1.00 0.00 O ATOM 0 H ASP A 21 3.924 9.504 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 21 4.309 10.845 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.386 8.196 -3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.122 9.119 -4.851 1.00 0.00 H new ATOM 317 N ASN A 22 2.696 8.016 -4.889 1.00 0.00 N ATOM 318 CA ASN A 22 1.943 7.103 -5.731 1.00 0.00 C ATOM 319 C ASN A 22 0.498 7.566 -5.860 1.00 0.00 C ATOM 320 O ASN A 22 -0.133 7.358 -6.892 1.00 0.00 O ATOM 321 CB ASN A 22 1.983 5.696 -5.135 1.00 0.00 C ATOM 322 CG ASN A 22 3.391 5.182 -4.857 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.959 4.422 -5.636 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.939 5.577 -3.715 1.00 0.00 N ATOM 0 H ASN A 22 2.598 7.807 -3.895 1.00 0.00 H new ATOM 0 HA ASN A 22 2.396 7.089 -6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.414 5.690 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.484 5.008 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.869 5.248 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.431 6.210 -3.097 1.00 0.00 H new ATOM 331 N GLY A 23 -0.016 8.185 -4.798 1.00 0.00 N ATOM 332 CA GLY A 23 -1.304 8.863 -4.794 1.00 0.00 C ATOM 333 C GLY A 23 -2.129 8.631 -3.525 1.00 0.00 C ATOM 334 O GLY A 23 -3.324 8.917 -3.520 1.00 0.00 O ATOM 0 H GLY A 23 0.464 8.228 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.139 9.933 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.881 8.528 -5.656 1.00 0.00 H new ATOM 338 N VAL A 24 -1.525 8.116 -2.449 1.00 0.00 N ATOM 339 CA VAL A 24 -2.216 7.772 -1.213 1.00 0.00 C ATOM 340 C VAL A 24 -1.748 8.708 -0.104 1.00 0.00 C ATOM 341 O VAL A 24 -0.597 8.664 0.310 1.00 0.00 O ATOM 342 CB VAL A 24 -1.929 6.302 -0.895 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.357 5.913 0.515 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.715 5.420 -1.867 1.00 0.00 C ATOM 0 H VAL A 24 -0.524 7.925 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.295 7.895 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.852 6.161 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.130 4.861 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.819 6.523 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.429 6.076 0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.517 4.371 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.781 5.618 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.408 5.642 -2.889 1.00 0.00 H new ATOM 354 N ASN A 25 -2.637 9.568 0.380 1.00 0.00 N ATOM 355 CA ASN A 25 -2.304 10.544 1.410 1.00 0.00 C ATOM 356 C ASN A 25 -1.928 9.852 2.726 1.00 0.00 C ATOM 357 O ASN A 25 -2.362 8.726 2.971 1.00 0.00 O ATOM 358 CB ASN A 25 -3.495 11.488 1.618 1.00 0.00 C ATOM 359 CG ASN A 25 -3.496 12.625 0.603 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.263 13.776 0.953 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.742 12.318 -0.668 1.00 0.00 N ATOM 0 H ASN A 25 -3.608 9.608 0.070 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.438 11.120 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.425 10.925 1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.461 11.900 2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.740 13.049 -1.379 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.933 11.351 -0.931 1.00 0.00 H new ATOM 368 N PRO A 26 -1.149 10.510 3.598 1.00 0.00 N ATOM 369 CA PRO A 26 -0.903 9.999 4.930 1.00 0.00 C ATOM 370 C PRO A 26 -2.207 9.847 5.706 1.00 0.00 C ATOM 371 O PRO A 26 -3.169 10.585 5.500 1.00 0.00 O ATOM 372 CB PRO A 26 0.066 10.965 5.608 1.00 0.00 C ATOM 373 CG PRO A 26 -0.016 12.240 4.771 1.00 0.00 C ATOM 374 CD PRO A 26 -0.490 11.785 3.390 1.00 0.00 C ATOM 0 HA PRO A 26 -0.464 9.002 4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.219 11.151 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.080 10.565 5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.712 12.955 5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.954 12.734 4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.174 12.512 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.350 11.684 2.702 1.00 0.00 H new ATOM 382 N GLY A 27 -2.222 8.851 6.584 1.00 0.00 N ATOM 383 CA GLY A 27 -3.365 8.452 7.376 1.00 0.00 C ATOM 384 C GLY A 27 -4.419 7.717 6.557 1.00 0.00 C ATOM 385 O GLY A 27 -5.546 7.591 7.031 1.00 0.00 O ATOM 0 H GLY A 27 -1.398 8.278 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.031 7.810 8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.814 9.336 7.830 1.00 0.00 H new ATOM 389 N THR A 28 -4.096 7.203 5.361 1.00 0.00 N ATOM 390 CA THR A 28 -5.066 6.448 4.608 1.00 0.00 C ATOM 391 C THR A 28 -4.966 5.002 5.052 1.00 0.00 C ATOM 392 O THR A 28 -3.934 4.357 4.861 1.00 0.00 O ATOM 393 CB THR A 28 -4.790 6.582 3.113 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.909 7.929 2.709 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.817 5.775 2.331 1.00 0.00 C ATOM 0 H THR A 28 -3.184 7.302 4.914 1.00 0.00 H new ATOM 0 HA THR A 28 -6.074 6.823 4.788 1.00 0.00 H new ATOM 0 HB THR A 28 -3.780 6.220 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.016 8.309 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.619 5.871 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.751 4.726 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.817 6.149 2.550 1.00 0.00 H new ATOM 403 N ASP A 29 -6.056 4.496 5.617 1.00 0.00 N ATOM 404 CA ASP A 29 -6.191 3.098 5.939 1.00 0.00 C ATOM 405 C ASP A 29 -6.019 2.272 4.679 1.00 0.00 C ATOM 406 O ASP A 29 -6.649 2.565 3.667 1.00 0.00 O ATOM 407 CB ASP A 29 -7.576 2.843 6.518 1.00 0.00 C ATOM 408 CG ASP A 29 -7.645 1.510 7.224 1.00 0.00 C ATOM 409 OD1 ASP A 29 -7.055 0.534 6.709 1.00 0.00 O ATOM 410 OD2 ASP A 29 -8.156 1.469 8.364 1.00 0.00 O ATOM 0 H ASP A 29 -6.872 5.057 5.863 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.431 2.819 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.831 3.639 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.316 2.871 5.718 1.00 0.00 H new ATOM 415 N PHE A 30 -5.230 1.204 4.770 1.00 0.00 N ATOM 416 CA PHE A 30 -5.131 0.183 3.747 1.00 0.00 C ATOM 417 C PHE A 30 -6.484 -0.164 3.140 1.00 0.00 C ATOM 418 O PHE A 30 -6.593 -0.388 1.933 1.00 0.00 O ATOM 419 CB PHE A 30 -4.537 -1.090 4.351 1.00 0.00 C ATOM 420 CG PHE A 30 -3.775 -1.881 3.322 1.00 0.00 C ATOM 421 CD1 PHE A 30 -4.426 -2.686 2.368 1.00 0.00 C ATOM 422 CD2 PHE A 30 -2.420 -1.574 3.166 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.695 -3.212 1.290 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.722 -2.001 2.037 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.342 -2.866 1.140 1.00 0.00 C ATOM 0 H PHE A 30 -4.632 1.027 5.577 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.493 0.582 2.958 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.874 -0.828 5.176 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.336 -1.704 4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.481 -2.898 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.910 -1.001 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.169 -3.877 0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.711 -1.664 1.860 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.775 -3.277 0.318 1.00 0.00 H new ATOM 435 N LYS A 31 -7.531 -0.239 3.966 1.00 0.00 N ATOM 436 CA LYS A 31 -8.814 -0.635 3.416 1.00 0.00 C ATOM 437 C LYS A 31 -9.347 0.462 2.489 1.00 0.00 C ATOM 438 O LYS A 31 -9.897 0.169 1.431 1.00 0.00 O ATOM 439 CB LYS A 31 -9.761 -1.025 4.546 1.00 0.00 C ATOM 440 CG LYS A 31 -10.197 0.234 5.279 1.00 0.00 C ATOM 441 CD LYS A 31 -10.821 -0.117 6.620 1.00 0.00 C ATOM 442 CE LYS A 31 -11.287 1.149 7.358 1.00 0.00 C ATOM 443 NZ LYS A 31 -12.237 1.959 6.567 1.00 0.00 N ATOM 0 H LYS A 31 -7.515 -0.041 4.966 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.711 -1.523 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.630 -1.549 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.265 -1.709 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.339 0.888 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.914 0.785 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.668 -0.786 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.097 -0.654 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.757 0.863 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.418 1.758 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.582 2.752 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.758 2.329 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.041 1.367 6.278 1.00 0.00 H new ATOM 457 N ASP A 32 -9.127 1.717 2.887 1.00 0.00 N ATOM 458 CA ASP A 32 -9.633 2.912 2.242 1.00 0.00 C ATOM 459 C ASP A 32 -8.800 3.239 1.003 1.00 0.00 C ATOM 460 O ASP A 32 -9.237 4.027 0.167 1.00 0.00 O ATOM 461 CB ASP A 32 -9.632 4.080 3.248 1.00 0.00 C ATOM 462 CG ASP A 32 -10.597 3.878 4.415 1.00 0.00 C ATOM 463 OD1 ASP A 32 -11.537 3.061 4.286 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.369 4.473 5.485 1.00 0.00 O ATOM 0 H ASP A 32 -8.562 1.929 3.710 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.658 2.744 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.623 4.212 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.894 5.000 2.725 1.00 0.00 H new ATOM 469 N ILE A 33 -7.605 2.647 0.857 1.00 0.00 N ATOM 470 CA ILE A 33 -6.806 2.813 -0.333 1.00 0.00 C ATOM 471 C ILE A 33 -7.638 2.420 -1.562 1.00 0.00 C ATOM 472 O ILE A 33 -8.250 1.349 -1.538 1.00 0.00 O ATOM 473 CB ILE A 33 -5.572 1.928 -0.217 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.698 2.378 0.948 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.713 1.926 -1.459 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.340 1.686 0.992 1.00 0.00 C ATOM 0 H ILE A 33 -7.181 2.047 1.564 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.495 3.852 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.955 0.919 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.546 3.455 0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.225 2.186 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.852 1.275 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.297 1.562 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.369 2.940 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.771 2.054 1.846 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.483 0.610 1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.793 1.899 0.073 1.00 0.00 H new ATOM 488 N PRO A 34 -7.623 3.229 -2.629 1.00 0.00 N ATOM 489 CA PRO A 34 -8.304 2.926 -3.879 1.00 0.00 C ATOM 490 C PRO A 34 -7.813 1.596 -4.460 1.00 0.00 C ATOM 491 O PRO A 34 -6.612 1.347 -4.489 1.00 0.00 O ATOM 492 CB PRO A 34 -7.957 4.077 -4.830 1.00 0.00 C ATOM 493 CG PRO A 34 -7.274 5.151 -3.984 1.00 0.00 C ATOM 494 CD PRO A 34 -6.801 4.416 -2.734 1.00 0.00 C ATOM 0 HA PRO A 34 -9.379 2.830 -3.730 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.298 3.735 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.855 4.471 -5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.438 5.603 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.965 5.956 -3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.746 4.153 -2.812 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.908 5.044 -1.849 1.00 0.00 H new ATOM 502 N ASP A 35 -8.708 0.749 -4.967 1.00 0.00 N ATOM 503 CA ASP A 35 -8.351 -0.503 -5.605 1.00 0.00 C ATOM 504 C ASP A 35 -7.575 -0.267 -6.908 1.00 0.00 C ATOM 505 O ASP A 35 -6.889 -1.165 -7.388 1.00 0.00 O ATOM 506 CB ASP A 35 -9.651 -1.288 -5.822 1.00 0.00 C ATOM 507 CG ASP A 35 -10.105 -2.119 -4.620 1.00 0.00 C ATOM 508 OD1 ASP A 35 -9.475 -2.018 -3.542 1.00 0.00 O ATOM 509 OD2 ASP A 35 -11.109 -2.840 -4.801 1.00 0.00 O ATOM 0 H ASP A 35 -9.713 0.922 -4.942 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.677 -1.083 -4.974 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.444 -0.587 -6.082 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.520 -1.952 -6.677 1.00 0.00 H new ATOM 514 N ASP A 36 -7.658 0.942 -7.467 1.00 0.00 N ATOM 515 CA ASP A 36 -6.898 1.394 -8.622 1.00 0.00 C ATOM 516 C ASP A 36 -5.496 1.882 -8.231 1.00 0.00 C ATOM 517 O ASP A 36 -4.688 2.174 -9.114 1.00 0.00 O ATOM 518 CB ASP A 36 -7.694 2.501 -9.333 1.00 0.00 C ATOM 519 CG ASP A 36 -8.103 3.614 -8.380 1.00 0.00 C ATOM 520 OD1 ASP A 36 -8.922 3.292 -7.488 1.00 0.00 O ATOM 521 OD2 ASP A 36 -7.587 4.739 -8.534 1.00 0.00 O ATOM 0 H ASP A 36 -8.286 1.660 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.751 0.553 -9.300 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.092 2.918 -10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.585 2.070 -9.790 1.00 0.00 H new ATOM 526 N TRP A 37 -5.175 1.965 -6.935 1.00 0.00 N ATOM 527 CA TRP A 37 -3.817 2.264 -6.505 1.00 0.00 C ATOM 528 C TRP A 37 -2.897 1.079 -6.807 1.00 0.00 C ATOM 529 O TRP A 37 -3.347 -0.051 -6.973 1.00 0.00 O ATOM 530 CB TRP A 37 -3.813 2.586 -5.011 1.00 0.00 C ATOM 531 CG TRP A 37 -2.475 2.769 -4.361 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.680 3.856 -4.445 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.740 1.802 -3.558 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.560 3.662 -3.657 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.537 2.404 -3.097 1.00 0.00 C ATOM 536 CE3 TRP A 37 -1.969 0.463 -3.195 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.377 1.721 -2.279 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.068 -0.235 -2.368 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.101 0.395 -1.905 1.00 0.00 C ATOM 0 H TRP A 37 -5.839 1.829 -6.173 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.446 3.131 -7.051 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.392 3.497 -4.859 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.337 1.785 -4.490 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.886 4.738 -5.034 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.163 4.366 -3.508 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.853 -0.040 -3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.280 2.208 -1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.275 -1.257 -2.088 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.785 -0.140 -1.263 1.00 0.00 H new ATOM 550 N VAL A 38 -1.595 1.353 -6.846 1.00 0.00 N ATOM 551 CA VAL A 38 -0.533 0.383 -7.045 1.00 0.00 C ATOM 552 C VAL A 38 0.628 0.736 -6.110 1.00 0.00 C ATOM 553 O VAL A 38 0.802 1.908 -5.779 1.00 0.00 O ATOM 554 CB VAL A 38 -0.093 0.383 -8.517 1.00 0.00 C ATOM 555 CG1 VAL A 38 -0.905 -0.636 -9.325 1.00 0.00 C ATOM 556 CG2 VAL A 38 -0.192 1.763 -9.183 1.00 0.00 C ATOM 0 H VAL A 38 -1.241 2.303 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.883 -0.622 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 38 0.960 0.103 -8.514 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.578 -0.620 -10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.752 -1.633 -8.912 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.963 -0.381 -9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.134 1.690 -10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.225 2.109 -9.150 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.445 2.470 -8.651 1.00 0.00 H new ATOM 566 N CYS A 39 1.396 -0.268 -5.671 1.00 0.00 N ATOM 567 CA CYS A 39 2.521 -0.084 -4.766 1.00 0.00 C ATOM 568 C CYS A 39 3.759 0.316 -5.589 1.00 0.00 C ATOM 569 O CYS A 39 3.726 0.236 -6.822 1.00 0.00 O ATOM 570 CB CYS A 39 2.662 -1.323 -3.903 1.00 0.00 C ATOM 571 SG CYS A 39 3.602 -2.658 -4.690 1.00 0.00 S ATOM 0 H CYS A 39 1.246 -1.240 -5.941 1.00 0.00 H new ATOM 0 HA CYS A 39 2.372 0.735 -4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.150 -1.050 -2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.669 -1.692 -3.648 1.00 0.00 H new ATOM 576 N PRO A 40 4.831 0.825 -4.963 1.00 0.00 N ATOM 577 CA PRO A 40 5.917 1.437 -5.705 1.00 0.00 C ATOM 578 C PRO A 40 6.744 0.374 -6.438 1.00 0.00 C ATOM 579 O PRO A 40 7.288 -0.535 -5.820 1.00 0.00 O ATOM 580 CB PRO A 40 6.725 2.226 -4.668 1.00 0.00 C ATOM 581 CG PRO A 40 6.467 1.481 -3.361 1.00 0.00 C ATOM 582 CD PRO A 40 5.045 0.945 -3.529 1.00 0.00 C ATOM 0 HA PRO A 40 5.565 2.103 -6.492 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.786 2.243 -4.916 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.395 3.263 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.185 0.674 -3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.547 2.143 -2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.930 -0.020 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.317 1.621 -3.081 1.00 0.00 H new ATOM 590 N LEU A 41 6.878 0.525 -7.760 1.00 0.00 N ATOM 591 CA LEU A 41 7.739 -0.286 -8.619 1.00 0.00 C ATOM 592 C LEU A 41 7.269 -1.744 -8.700 1.00 0.00 C ATOM 593 O LEU A 41 8.088 -2.660 -8.656 1.00 0.00 O ATOM 594 CB LEU A 41 9.218 -0.209 -8.188 1.00 0.00 C ATOM 595 CG LEU A 41 9.730 1.188 -7.803 1.00 0.00 C ATOM 596 CD1 LEU A 41 11.237 1.100 -7.528 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.480 2.222 -8.906 1.00 0.00 C ATOM 0 H LEU A 41 6.370 1.242 -8.277 1.00 0.00 H new ATOM 0 HA LEU A 41 7.661 0.139 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.365 -0.876 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.835 -0.590 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 41 9.186 1.515 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.615 2.085 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.418 0.401 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.751 0.751 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.859 3.193 -8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.993 1.914 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.410 2.296 -9.100 1.00 0.00 H new ATOM 609 N CYS A 42 5.962 -1.959 -8.862 1.00 0.00 N ATOM 610 CA CYS A 42 5.355 -3.282 -8.901 1.00 0.00 C ATOM 611 C CYS A 42 4.296 -3.307 -10.006 1.00 0.00 C ATOM 612 O CYS A 42 4.094 -2.302 -10.690 1.00 0.00 O ATOM 613 CB CYS A 42 4.774 -3.555 -7.539 1.00 0.00 C ATOM 614 SG CYS A 42 4.468 -5.316 -7.223 1.00 0.00 S ATOM 0 H CYS A 42 5.287 -1.202 -8.971 1.00 0.00 H new ATOM 0 HA CYS A 42 6.080 -4.062 -9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.454 -3.170 -6.779 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.837 -3.007 -7.436 1.00 0.00 H new ATOM 619 N GLY A 43 3.639 -4.455 -10.189 1.00 0.00 N ATOM 620 CA GLY A 43 2.576 -4.647 -11.162 1.00 0.00 C ATOM 621 C GLY A 43 1.221 -4.584 -10.464 1.00 0.00 C ATOM 622 O GLY A 43 0.603 -3.524 -10.393 1.00 0.00 O ATOM 0 H GLY A 43 3.842 -5.295 -9.647 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.634 -3.880 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.695 -5.610 -11.660 1.00 0.00 H new ATOM 626 N VAL A 44 0.747 -5.728 -9.961 1.00 0.00 N ATOM 627 CA VAL A 44 -0.517 -5.799 -9.243 1.00 0.00 C ATOM 628 C VAL A 44 -0.271 -5.389 -7.788 1.00 0.00 C ATOM 629 O VAL A 44 0.271 -6.159 -7.000 1.00 0.00 O ATOM 630 CB VAL A 44 -1.179 -7.178 -9.434 1.00 0.00 C ATOM 631 CG1 VAL A 44 -0.472 -8.349 -8.736 1.00 0.00 C ATOM 632 CG2 VAL A 44 -2.643 -7.121 -8.985 1.00 0.00 C ATOM 0 H VAL A 44 1.230 -6.623 -10.042 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.246 -5.097 -9.647 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.099 -7.385 -10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.017 -9.272 -8.933 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.545 -8.439 -9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.442 -8.167 -7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.104 -8.099 -9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.690 -6.843 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.178 -6.381 -9.580 1.00 0.00 H new ATOM 642 N GLY A 45 -0.638 -4.154 -7.444 1.00 0.00 N ATOM 643 CA GLY A 45 -0.539 -3.631 -6.093 1.00 0.00 C ATOM 644 C GLY A 45 -1.942 -3.504 -5.513 1.00 0.00 C ATOM 645 O GLY A 45 -2.876 -3.218 -6.254 1.00 0.00 O ATOM 0 H GLY A 45 -1.018 -3.483 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.067 -4.294 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.044 -2.660 -6.099 1.00 0.00 H new ATOM 649 N LYS A 46 -2.076 -3.731 -4.202 1.00 0.00 N ATOM 650 CA LYS A 46 -3.340 -3.851 -3.492 1.00 0.00 C ATOM 651 C LYS A 46 -4.196 -5.001 -4.044 1.00 0.00 C ATOM 652 O LYS A 46 -4.907 -4.855 -5.031 1.00 0.00 O ATOM 653 CB LYS A 46 -4.067 -2.497 -3.390 1.00 0.00 C ATOM 654 CG LYS A 46 -5.589 -2.624 -3.268 1.00 0.00 C ATOM 655 CD LYS A 46 -6.234 -1.415 -2.605 1.00 0.00 C ATOM 656 CE LYS A 46 -6.210 -1.535 -1.081 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.487 -1.043 -0.512 1.00 0.00 N ATOM 0 H LYS A 46 -1.269 -3.840 -3.587 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.128 -4.132 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.686 -1.954 -2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.830 -1.900 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.018 -2.759 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.829 -3.518 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.709 -0.509 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.264 -1.317 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.051 -2.574 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.377 -0.960 -0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.308 -0.604 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.905 -0.339 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.145 -1.840 -0.396 1.00 0.00 H new ATOM 671 N ASP A 47 -4.188 -6.120 -3.316 1.00 0.00 N ATOM 672 CA ASP A 47 -5.208 -7.159 -3.406 1.00 0.00 C ATOM 673 C ASP A 47 -5.495 -7.608 -1.981 1.00 0.00 C ATOM 674 O ASP A 47 -6.497 -7.233 -1.376 1.00 0.00 O ATOM 675 CB ASP A 47 -4.718 -8.350 -4.252 1.00 0.00 C ATOM 676 CG ASP A 47 -5.181 -8.288 -5.699 1.00 0.00 C ATOM 677 OD1 ASP A 47 -6.414 -8.242 -5.896 1.00 0.00 O ATOM 678 OD2 ASP A 47 -4.297 -8.366 -6.577 1.00 0.00 O ATOM 0 H ASP A 47 -3.457 -6.330 -2.636 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.104 -6.774 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.629 -8.381 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.074 -9.277 -3.803 1.00 0.00 H new ATOM 683 N GLN A 48 -4.564 -8.394 -1.437 1.00 0.00 N ATOM 684 CA GLN A 48 -4.676 -9.032 -0.137 1.00 0.00 C ATOM 685 C GLN A 48 -3.281 -9.056 0.496 1.00 0.00 C ATOM 686 O GLN A 48 -2.755 -10.104 0.852 1.00 0.00 O ATOM 687 CB GLN A 48 -5.323 -10.414 -0.339 1.00 0.00 C ATOM 688 CG GLN A 48 -5.896 -11.040 0.943 1.00 0.00 C ATOM 689 CD GLN A 48 -4.994 -12.099 1.574 1.00 0.00 C ATOM 690 OE1 GLN A 48 -4.425 -12.939 0.884 1.00 0.00 O ATOM 691 NE2 GLN A 48 -4.904 -12.113 2.901 1.00 0.00 N ATOM 0 H GLN A 48 -3.685 -8.607 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.320 -8.494 0.559 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.123 -10.323 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.580 -11.092 -0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.076 -10.250 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.862 -11.490 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.387 -11.403 3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.352 -12.833 3.367 1.00 0.00 H new ATOM 700 N PHE A 49 -2.684 -7.862 0.593 1.00 0.00 N ATOM 701 CA PHE A 49 -1.397 -7.617 1.241 1.00 0.00 C ATOM 702 C PHE A 49 -1.460 -8.138 2.686 1.00 0.00 C ATOM 703 O PHE A 49 -2.541 -8.165 3.277 1.00 0.00 O ATOM 704 CB PHE A 49 -1.091 -6.105 1.139 1.00 0.00 C ATOM 705 CG PHE A 49 -0.505 -5.617 -0.181 1.00 0.00 C ATOM 706 CD1 PHE A 49 -0.760 -6.276 -1.403 1.00 0.00 C ATOM 707 CD2 PHE A 49 0.371 -4.511 -0.166 1.00 0.00 C ATOM 708 CE1 PHE A 49 -0.181 -5.800 -2.592 1.00 0.00 C ATOM 709 CE2 PHE A 49 0.839 -3.962 -1.368 1.00 0.00 C ATOM 710 CZ PHE A 49 0.586 -4.623 -2.577 1.00 0.00 C ATOM 0 H PHE A 49 -3.100 -7.014 0.209 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.580 -8.150 0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.014 -5.557 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.397 -5.843 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.400 -7.146 -1.424 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.683 -4.085 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.326 -6.339 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.392 -3.034 -1.362 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.982 -4.227 -3.500 1.00 0.00 H new ATOM 720 N GLU A 50 -0.329 -8.563 3.262 1.00 0.00 N ATOM 721 CA GLU A 50 -0.297 -9.085 4.629 1.00 0.00 C ATOM 722 C GLU A 50 -0.107 -7.914 5.583 1.00 0.00 C ATOM 723 O GLU A 50 0.509 -6.927 5.199 1.00 0.00 O ATOM 724 CB GLU A 50 0.842 -10.096 4.799 1.00 0.00 C ATOM 725 CG GLU A 50 0.473 -11.490 4.296 1.00 0.00 C ATOM 726 CD GLU A 50 1.607 -12.464 4.588 1.00 0.00 C ATOM 727 OE1 GLU A 50 2.551 -12.491 3.770 1.00 0.00 O ATOM 728 OE2 GLU A 50 1.522 -13.134 5.639 1.00 0.00 O ATOM 0 H GLU A 50 0.579 -8.554 2.798 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.233 -9.600 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.721 -9.741 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.116 -10.155 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.443 -11.830 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.276 -11.459 3.224 1.00 0.00 H new ATOM 735 N GLU A 51 -0.612 -8.006 6.814 1.00 0.00 N ATOM 736 CA GLU A 51 -0.484 -6.968 7.813 1.00 0.00 C ATOM 737 C GLU A 51 0.920 -7.037 8.432 1.00 0.00 C ATOM 738 O GLU A 51 1.489 -8.118 8.571 1.00 0.00 O ATOM 739 CB GLU A 51 -1.616 -7.185 8.826 1.00 0.00 C ATOM 740 CG GLU A 51 -1.498 -6.281 10.049 1.00 0.00 C ATOM 741 CD GLU A 51 -2.679 -6.437 11.000 1.00 0.00 C ATOM 742 OE1 GLU A 51 -3.820 -6.469 10.494 1.00 0.00 O ATOM 743 OE2 GLU A 51 -2.428 -6.467 12.224 1.00 0.00 O ATOM 0 H GLU A 51 -1.129 -8.822 7.141 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.582 -5.964 7.399 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.574 -7.004 8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.614 -8.226 9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.574 -6.511 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.430 -5.242 9.725 1.00 0.00 H new ATOM 750 N VAL A 52 1.479 -5.880 8.791 1.00 0.00 N ATOM 751 CA VAL A 52 2.736 -5.708 9.479 1.00 0.00 C ATOM 752 C VAL A 52 2.412 -5.196 10.888 1.00 0.00 C ATOM 753 O VAL A 52 1.954 -4.064 11.060 1.00 0.00 O ATOM 754 CB VAL A 52 3.589 -4.725 8.660 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.722 -4.126 9.493 1.00 0.00 C ATOM 756 CG2 VAL A 52 4.184 -5.399 7.429 1.00 0.00 C ATOM 0 H VAL A 52 1.027 -4.988 8.591 1.00 0.00 H new ATOM 0 HA VAL A 52 3.307 -6.632 9.577 1.00 0.00 H new ATOM 0 HB VAL A 52 2.919 -3.924 8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.301 -3.437 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.303 -3.589 10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.371 -4.925 9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.781 -4.677 6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.817 -6.231 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.380 -5.772 6.794 1.00 0.00 H new ATOM 766 N GLU A 53 2.657 -6.040 11.891 1.00 0.00 N ATOM 767 CA GLU A 53 2.435 -5.785 13.302 1.00 0.00 C ATOM 768 C GLU A 53 3.439 -4.787 13.900 1.00 0.00 C ATOM 769 O GLU A 53 4.266 -5.114 14.748 1.00 0.00 O ATOM 770 CB GLU A 53 2.431 -7.132 14.029 1.00 0.00 C ATOM 771 CG GLU A 53 3.723 -7.957 13.881 1.00 0.00 C ATOM 772 CD GLU A 53 3.580 -9.332 14.521 1.00 0.00 C ATOM 773 OE1 GLU A 53 2.659 -10.059 14.089 1.00 0.00 O ATOM 774 OE2 GLU A 53 4.390 -9.634 15.422 1.00 0.00 O ATOM 0 H GLU A 53 3.037 -6.971 11.723 1.00 0.00 H new ATOM 0 HA GLU A 53 1.469 -5.297 13.432 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.251 -6.955 15.089 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.595 -7.725 13.658 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.966 -8.069 12.824 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.553 -7.423 14.344 1.00 0.00 H new ATOM 781 N GLU A 54 3.341 -3.546 13.448 1.00 0.00 N ATOM 782 CA GLU A 54 3.971 -2.422 14.128 1.00 0.00 C ATOM 783 C GLU A 54 3.435 -2.271 15.560 1.00 0.00 C ATOM 784 O GLU A 54 2.272 -2.679 15.797 1.00 0.00 O ATOM 785 CB GLU A 54 3.810 -1.126 13.324 1.00 0.00 C ATOM 786 CG GLU A 54 2.353 -0.778 12.978 1.00 0.00 C ATOM 787 CD GLU A 54 2.220 0.624 12.401 1.00 0.00 C ATOM 788 OE1 GLU A 54 3.267 1.289 12.245 1.00 0.00 O ATOM 789 OE2 GLU A 54 1.076 0.974 12.043 1.00 0.00 O ATOM 790 OXT GLU A 54 4.197 -1.731 16.392 1.00 0.00 O ATOM 0 H GLU A 54 2.826 -3.290 12.605 1.00 0.00 H new ATOM 0 HA GLU A 54 5.039 -2.629 14.199 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.244 -0.303 13.892 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.381 -1.211 12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.968 -1.503 12.260 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.739 -0.860 13.875 1.00 0.00 H new TER 797 GLU A 54 HETATM 798 FE FE A 55 4.765 -4.678 -5.081 1.00 0.00 FE