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+ -112:sc= 0.728 (180deg=-1.39!) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0.619) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.1) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -76:sc= 1.23 USER MOD Single : A 7 THR OG1 : rot 140:sc= 0.0849 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -5:sc= 1.17 USER MOD Single : A 14 ASN : amide:sc= -0.926 K(o=-0.93,f=-7.3!) USER MOD Single : A 22 ASN : amide:sc= 0.387 K(o=0.39,f=-0.46) USER MOD Single : A 25 ASN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 28 THR OG1 : rot 90:sc= 1.31 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= 2.46 (180deg=2.37) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.272 3.648 12.185 1.00 0.00 N ATOM 2 CA MET A 1 -2.794 2.415 11.560 1.00 0.00 C ATOM 3 C MET A 1 -1.646 1.425 11.389 1.00 0.00 C ATOM 4 O MET A 1 -0.498 1.808 11.586 1.00 0.00 O ATOM 5 CB MET A 1 -3.453 2.737 10.215 1.00 0.00 C ATOM 6 CG MET A 1 -4.796 3.454 10.344 1.00 0.00 C ATOM 7 SD MET A 1 -5.061 4.695 9.055 1.00 0.00 S ATOM 8 CE MET A 1 -6.699 5.297 9.513 1.00 0.00 C ATOM 0 H1 MET A 1 -2.659 3.741 13.146 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.234 3.600 12.233 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.554 4.472 11.617 1.00 0.00 H new ATOM 0 HA MET A 1 -3.556 1.969 12.199 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.775 3.357 9.628 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.598 1.810 9.661 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.600 2.719 10.303 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.853 3.935 11.321 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.011 6.072 8.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.411 4.473 9.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.666 5.711 10.521 1.00 0.00 H new ATOM 20 N LYS A 2 -1.952 0.166 11.065 1.00 0.00 N ATOM 21 CA LYS A 2 -0.952 -0.889 10.966 1.00 0.00 C ATOM 22 C LYS A 2 -0.434 -0.985 9.540 1.00 0.00 C ATOM 23 O LYS A 2 -1.134 -0.666 8.582 1.00 0.00 O ATOM 24 CB LYS A 2 -1.545 -2.215 11.443 1.00 0.00 C ATOM 25 CG LYS A 2 -1.856 -2.104 12.939 1.00 0.00 C ATOM 26 CD LYS A 2 -0.799 -2.771 13.824 1.00 0.00 C ATOM 27 CE LYS A 2 -1.073 -4.262 14.043 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.102 -4.827 14.999 1.00 0.00 N ATOM 0 H LYS A 2 -2.902 -0.146 10.865 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.106 -0.651 11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.452 -2.446 10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.843 -3.029 11.262 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.936 -1.051 13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.827 -2.559 13.137 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.183 -2.649 13.367 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.766 -2.265 14.789 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.087 -4.401 14.419 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.010 -4.793 13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.093 -5.863 14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.846 -4.454 14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.374 -4.563 15.967 1.00 0.00 H new ATOM 42 N LYS A 3 0.822 -1.392 9.414 1.00 0.00 N ATOM 43 CA LYS A 3 1.506 -1.497 8.142 1.00 0.00 C ATOM 44 C LYS A 3 0.989 -2.711 7.384 1.00 0.00 C ATOM 45 O LYS A 3 0.262 -3.523 7.951 1.00 0.00 O ATOM 46 CB LYS A 3 3.012 -1.515 8.399 1.00 0.00 C ATOM 47 CG LYS A 3 3.398 -0.200 9.094 1.00 0.00 C ATOM 48 CD LYS A 3 4.858 -0.180 9.564 1.00 0.00 C ATOM 49 CE LYS A 3 5.871 0.007 8.428 1.00 0.00 C ATOM 50 NZ LYS A 3 7.242 -0.323 8.867 1.00 0.00 N ATOM 0 H LYS A 3 1.400 -1.662 10.210 1.00 0.00 H new ATOM 0 HA LYS A 3 1.304 -0.638 7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.281 -2.367 9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.556 -1.623 7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.231 0.630 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.743 -0.042 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.986 0.624 10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.076 -1.114 10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.595 -0.626 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.839 1.038 8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.907 -0.154 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.500 0.275 9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.285 -1.323 9.148 1.00 0.00 H new ATOM 64 N TYR A 4 1.356 -2.841 6.110 1.00 0.00 N ATOM 65 CA TYR A 4 0.912 -3.958 5.284 1.00 0.00 C ATOM 66 C TYR A 4 2.016 -4.404 4.347 1.00 0.00 C ATOM 67 O TYR A 4 2.735 -3.561 3.810 1.00 0.00 O ATOM 68 CB TYR A 4 -0.311 -3.568 4.452 1.00 0.00 C ATOM 69 CG TYR A 4 -1.595 -3.594 5.239 1.00 0.00 C ATOM 70 CD1 TYR A 4 -1.961 -2.515 6.061 1.00 0.00 C ATOM 71 CD2 TYR A 4 -2.355 -4.770 5.246 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.080 -2.622 6.905 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.463 -4.887 6.101 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.820 -3.817 6.939 1.00 0.00 C ATOM 75 OH TYR A 4 -4.948 -3.906 7.696 1.00 0.00 O ATOM 0 H TYR A 4 1.964 -2.180 5.626 1.00 0.00 H new ATOM 0 HA TYR A 4 0.649 -4.776 5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.162 -2.568 4.045 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.398 -4.248 3.604 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.382 -1.603 6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.089 -5.588 4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.371 -1.788 7.526 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.041 -5.799 6.114 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.335 -4.801 7.602 1.00 0.00 H new ATOM 85 N THR A 5 2.130 -5.715 4.119 1.00 0.00 N ATOM 86 CA THR A 5 3.036 -6.190 3.077 1.00 0.00 C ATOM 87 C THR A 5 2.326 -6.171 1.716 1.00 0.00 C ATOM 88 O THR A 5 1.146 -6.510 1.626 1.00 0.00 O ATOM 89 CB THR A 5 3.622 -7.562 3.446 1.00 0.00 C ATOM 90 OG1 THR A 5 4.755 -7.853 2.655 1.00 0.00 O ATOM 91 CG2 THR A 5 2.595 -8.683 3.326 1.00 0.00 C ATOM 0 H THR A 5 1.624 -6.443 4.624 1.00 0.00 H new ATOM 0 HA THR A 5 3.888 -5.516 2.995 1.00 0.00 H new ATOM 0 HB THR A 5 3.922 -7.504 4.492 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.467 -8.117 1.756 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.058 -9.632 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.758 -8.483 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.233 -8.737 2.299 1.00 0.00 H new ATOM 99 N CYS A 6 3.063 -5.798 0.663 1.00 0.00 N ATOM 100 CA CYS A 6 2.764 -6.222 -0.700 1.00 0.00 C ATOM 101 C CYS A 6 3.112 -7.719 -0.781 1.00 0.00 C ATOM 102 O CYS A 6 3.675 -8.273 0.167 1.00 0.00 O ATOM 103 CB CYS A 6 3.547 -5.340 -1.650 1.00 0.00 C ATOM 104 SG CYS A 6 3.290 -5.734 -3.407 1.00 0.00 S ATOM 0 H CYS A 6 3.882 -5.194 0.737 1.00 0.00 H new ATOM 0 HA CYS A 6 1.717 -6.112 -0.981 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.269 -4.300 -1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.609 -5.428 -1.420 1.00 0.00 H new ATOM 109 N THR A 7 2.755 -8.408 -1.864 1.00 0.00 N ATOM 110 CA THR A 7 2.913 -9.847 -1.995 1.00 0.00 C ATOM 111 C THR A 7 4.396 -10.223 -2.097 1.00 0.00 C ATOM 112 O THR A 7 4.931 -10.449 -3.183 1.00 0.00 O ATOM 113 CB THR A 7 2.091 -10.322 -3.199 1.00 0.00 C ATOM 114 OG1 THR A 7 2.189 -9.372 -4.240 1.00 0.00 O ATOM 115 CG2 THR A 7 0.614 -10.435 -2.820 1.00 0.00 C ATOM 0 H THR A 7 2.341 -7.970 -2.687 1.00 0.00 H new ATOM 0 HA THR A 7 2.537 -10.354 -1.107 1.00 0.00 H new ATOM 0 HB THR A 7 2.476 -11.292 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.270 -9.836 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.042 -10.773 -3.684 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.501 -11.152 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.245 -9.461 -2.499 1.00 0.00 H new ATOM 123 N VAL A 8 5.061 -10.286 -0.941 1.00 0.00 N ATOM 124 CA VAL A 8 6.502 -10.427 -0.789 1.00 0.00 C ATOM 125 C VAL A 8 7.162 -9.151 -1.306 1.00 0.00 C ATOM 126 O VAL A 8 7.571 -8.320 -0.497 1.00 0.00 O ATOM 127 CB VAL A 8 7.047 -11.730 -1.417 1.00 0.00 C ATOM 128 CG1 VAL A 8 8.571 -11.816 -1.264 1.00 0.00 C ATOM 129 CG2 VAL A 8 6.409 -12.952 -0.743 1.00 0.00 C ATOM 0 H VAL A 8 4.580 -10.237 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 8 6.756 -10.538 0.265 1.00 0.00 H new ATOM 0 HB VAL A 8 6.795 -11.719 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.930 -12.742 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.035 -10.966 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.832 -11.802 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.802 -13.863 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.644 -12.944 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.328 -12.918 -0.876 1.00 0.00 H new ATOM 139 N CYS A 9 7.209 -8.990 -2.635 1.00 0.00 N ATOM 140 CA CYS A 9 7.691 -7.791 -3.311 1.00 0.00 C ATOM 141 C CYS A 9 8.976 -7.288 -2.628 1.00 0.00 C ATOM 142 O CYS A 9 9.933 -8.049 -2.487 1.00 0.00 O ATOM 143 CB CYS A 9 6.534 -6.817 -3.344 1.00 0.00 C ATOM 144 SG CYS A 9 6.857 -5.320 -4.314 1.00 0.00 S ATOM 0 H CYS A 9 6.902 -9.715 -3.283 1.00 0.00 H new ATOM 0 HA CYS A 9 7.995 -7.964 -4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.659 -7.322 -3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 9 6.286 -6.529 -2.322 1.00 0.00 H new ATOM 149 N GLY A 10 8.985 -6.041 -2.157 1.00 0.00 N ATOM 150 CA GLY A 10 9.988 -5.502 -1.259 1.00 0.00 C ATOM 151 C GLY A 10 9.621 -4.065 -0.896 1.00 0.00 C ATOM 152 O GLY A 10 10.487 -3.195 -0.861 1.00 0.00 O ATOM 0 H GLY A 10 8.266 -5.360 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.051 -6.112 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.969 -5.530 -1.733 1.00 0.00 H new ATOM 156 N TYR A 11 8.328 -3.811 -0.651 1.00 0.00 N ATOM 157 CA TYR A 11 7.791 -2.465 -0.513 1.00 0.00 C ATOM 158 C TYR A 11 6.615 -2.484 0.473 1.00 0.00 C ATOM 159 O TYR A 11 5.451 -2.415 0.091 1.00 0.00 O ATOM 160 CB TYR A 11 7.434 -1.910 -1.909 1.00 0.00 C ATOM 161 CG TYR A 11 7.840 -0.464 -2.132 1.00 0.00 C ATOM 162 CD1 TYR A 11 7.343 0.551 -1.293 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.748 -0.138 -3.159 1.00 0.00 C ATOM 164 CE1 TYR A 11 7.779 1.878 -1.460 1.00 0.00 C ATOM 165 CE2 TYR A 11 9.177 1.191 -3.328 1.00 0.00 C ATOM 166 CZ TYR A 11 8.695 2.197 -2.475 1.00 0.00 C ATOM 167 OH TYR A 11 9.129 3.481 -2.618 1.00 0.00 O ATOM 0 H TYR A 11 7.627 -4.544 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 11 8.532 -1.784 -0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.913 -2.530 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 11 6.358 -2.000 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.627 0.311 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.116 -0.911 -3.818 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.408 2.653 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.876 1.437 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 11 9.760 3.532 -3.366 1.00 0.00 H new ATOM 177 N ILE A 12 6.923 -2.603 1.767 1.00 0.00 N ATOM 178 CA ILE A 12 5.914 -2.533 2.818 1.00 0.00 C ATOM 179 C ILE A 12 5.207 -1.178 2.763 1.00 0.00 C ATOM 180 O ILE A 12 5.856 -0.134 2.712 1.00 0.00 O ATOM 181 CB ILE A 12 6.555 -2.826 4.192 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.607 -4.358 4.353 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.799 -2.165 5.363 1.00 0.00 C ATOM 184 CD1 ILE A 12 7.454 -4.836 5.533 1.00 0.00 C ATOM 0 H ILE A 12 7.872 -2.749 2.110 1.00 0.00 H new ATOM 0 HA ILE A 12 5.154 -3.298 2.661 1.00 0.00 H new ATOM 0 HB ILE A 12 7.556 -2.395 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.591 -4.734 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 12 7.002 -4.795 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.298 -2.408 6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.790 -1.084 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.774 -2.536 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.438 -5.925 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.481 -4.493 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.048 -4.431 6.460 1.00 0.00 H new ATOM 196 N TYR A 13 3.874 -1.204 2.800 1.00 0.00 N ATOM 197 CA TYR A 13 3.051 -0.015 2.879 1.00 0.00 C ATOM 198 C TYR A 13 2.963 0.422 4.338 1.00 0.00 C ATOM 199 O TYR A 13 2.769 -0.415 5.224 1.00 0.00 O ATOM 200 CB TYR A 13 1.659 -0.334 2.329 1.00 0.00 C ATOM 201 CG TYR A 13 0.690 0.828 2.421 1.00 0.00 C ATOM 202 CD1 TYR A 13 0.009 1.094 3.623 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.508 1.681 1.324 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.824 2.218 3.719 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.126 2.925 1.510 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.808 3.198 2.712 1.00 0.00 C ATOM 207 OH TYR A 13 -1.622 4.295 2.809 1.00 0.00 O ATOM 0 H TYR A 13 3.335 -2.070 2.775 1.00 0.00 H new ATOM 0 HA TYR A 13 3.485 0.793 2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.750 -0.639 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.248 -1.183 2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.127 0.434 4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.851 1.387 0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.480 2.331 4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.089 3.671 0.730 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.203 4.203 3.592 1.00 0.00 H new ATOM 217 N ASN A 14 3.059 1.734 4.578 1.00 0.00 N ATOM 218 CA ASN A 14 2.902 2.339 5.891 1.00 0.00 C ATOM 219 C ASN A 14 1.813 3.400 5.840 1.00 0.00 C ATOM 220 O ASN A 14 2.000 4.427 5.195 1.00 0.00 O ATOM 221 CB ASN A 14 4.232 2.953 6.333 1.00 0.00 C ATOM 222 CG ASN A 14 4.182 3.407 7.786 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.169 3.282 8.464 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.296 3.885 8.304 1.00 0.00 N ATOM 0 H ASN A 14 3.253 2.414 3.843 1.00 0.00 H new ATOM 0 HA ASN A 14 2.610 1.577 6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.031 2.223 6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.472 3.802 5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.325 4.159 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.129 3.981 7.723 1.00 0.00 H new ATOM 231 N PRO A 15 0.670 3.198 6.506 1.00 0.00 N ATOM 232 CA PRO A 15 -0.435 4.129 6.395 1.00 0.00 C ATOM 233 C PRO A 15 -0.088 5.467 6.992 1.00 0.00 C ATOM 234 O PRO A 15 -0.520 6.491 6.480 1.00 0.00 O ATOM 235 CB PRO A 15 -1.609 3.509 7.144 1.00 0.00 C ATOM 236 CG PRO A 15 -0.948 2.518 8.098 1.00 0.00 C ATOM 237 CD PRO A 15 0.396 2.153 7.478 1.00 0.00 C ATOM 0 HA PRO A 15 -0.677 4.303 5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.182 4.263 7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.299 3.010 6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.813 2.961 9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.569 1.632 8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.178 2.106 8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.355 1.174 7.001 1.00 0.00 H new ATOM 245 N GLU A 16 0.692 5.462 8.063 1.00 0.00 N ATOM 246 CA GLU A 16 1.032 6.668 8.779 1.00 0.00 C ATOM 247 C GLU A 16 1.873 7.604 7.906 1.00 0.00 C ATOM 248 O GLU A 16 1.790 8.823 8.036 1.00 0.00 O ATOM 249 CB GLU A 16 1.704 6.230 10.073 1.00 0.00 C ATOM 250 CG GLU A 16 0.741 5.269 10.812 1.00 0.00 C ATOM 251 CD GLU A 16 0.824 5.282 12.331 1.00 0.00 C ATOM 252 OE1 GLU A 16 1.748 5.923 12.871 1.00 0.00 O ATOM 253 OE2 GLU A 16 -0.087 4.651 12.919 1.00 0.00 O ATOM 0 H GLU A 16 1.105 4.616 8.456 1.00 0.00 H new ATOM 0 HA GLU A 16 0.154 7.263 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.650 5.732 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.931 7.095 10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.280 5.515 10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.935 4.254 10.466 1.00 0.00 H new ATOM 260 N ASP A 17 2.613 7.014 6.967 1.00 0.00 N ATOM 261 CA ASP A 17 3.342 7.729 5.923 1.00 0.00 C ATOM 262 C ASP A 17 2.425 7.962 4.716 1.00 0.00 C ATOM 263 O ASP A 17 2.567 8.947 3.993 1.00 0.00 O ATOM 264 CB ASP A 17 4.559 6.909 5.476 1.00 0.00 C ATOM 265 CG ASP A 17 5.643 6.730 6.529 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.897 7.696 7.276 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.218 5.618 6.564 1.00 0.00 O ATOM 0 H ASP A 17 2.724 6.002 6.911 1.00 0.00 H new ATOM 0 HA ASP A 17 3.676 8.687 6.322 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.217 5.924 5.159 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.000 7.389 4.602 1.00 0.00 H new ATOM 272 N GLY A 18 1.492 7.037 4.482 1.00 0.00 N ATOM 273 CA GLY A 18 0.729 6.949 3.258 1.00 0.00 C ATOM 274 C GLY A 18 1.633 6.490 2.127 1.00 0.00 C ATOM 275 O GLY A 18 2.623 5.795 2.347 1.00 0.00 O ATOM 0 H GLY A 18 1.248 6.316 5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.098 6.250 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.293 7.919 3.018 1.00 0.00 H new ATOM 279 N ASP A 19 1.282 6.903 0.914 1.00 0.00 N ATOM 280 CA ASP A 19 2.082 6.734 -0.275 1.00 0.00 C ATOM 281 C ASP A 19 1.734 7.885 -1.243 1.00 0.00 C ATOM 282 O ASP A 19 1.126 7.691 -2.303 1.00 0.00 O ATOM 283 CB ASP A 19 1.845 5.320 -0.822 1.00 0.00 C ATOM 284 CG ASP A 19 2.568 5.137 -2.130 1.00 0.00 C ATOM 285 OD1 ASP A 19 3.551 5.881 -2.330 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.096 4.308 -2.936 1.00 0.00 O ATOM 0 H ASP A 19 0.399 7.381 0.734 1.00 0.00 H new ATOM 0 HA ASP A 19 3.154 6.801 -0.092 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.192 4.581 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.777 5.151 -0.962 1.00 0.00 H new ATOM 291 N PRO A 20 2.029 9.135 -0.840 1.00 0.00 N ATOM 292 CA PRO A 20 1.503 10.319 -1.502 1.00 0.00 C ATOM 293 C PRO A 20 2.019 10.440 -2.929 1.00 0.00 C ATOM 294 O PRO A 20 1.314 10.976 -3.783 1.00 0.00 O ATOM 295 CB PRO A 20 1.905 11.513 -0.633 1.00 0.00 C ATOM 296 CG PRO A 20 3.110 10.999 0.152 1.00 0.00 C ATOM 297 CD PRO A 20 2.792 9.516 0.339 1.00 0.00 C ATOM 0 HA PRO A 20 0.418 10.267 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.163 12.381 -1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.095 11.817 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.041 11.146 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.218 11.512 1.108 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.704 8.926 0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.218 9.349 1.250 1.00 0.00 H new ATOM 305 N ASP A 21 3.211 9.910 -3.211 1.00 0.00 N ATOM 306 CA ASP A 21 3.835 9.986 -4.513 1.00 0.00 C ATOM 307 C ASP A 21 2.968 9.262 -5.544 1.00 0.00 C ATOM 308 O ASP A 21 3.006 9.584 -6.730 1.00 0.00 O ATOM 309 CB ASP A 21 5.233 9.370 -4.400 1.00 0.00 C ATOM 310 CG ASP A 21 6.094 10.104 -3.380 1.00 0.00 C ATOM 311 OD1 ASP A 21 5.791 9.941 -2.177 1.00 0.00 O ATOM 312 OD2 ASP A 21 7.018 10.822 -3.818 1.00 0.00 O ATOM 0 H ASP A 21 3.771 9.409 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 21 3.931 11.019 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.146 8.322 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.722 9.396 -5.374 1.00 0.00 H new ATOM 317 N ASN A 22 2.159 8.305 -5.076 1.00 0.00 N ATOM 318 CA ASN A 22 1.242 7.516 -5.885 1.00 0.00 C ATOM 319 C ASN A 22 -0.206 7.885 -5.546 1.00 0.00 C ATOM 320 O ASN A 22 -1.126 7.147 -5.888 1.00 0.00 O ATOM 321 CB ASN A 22 1.515 6.030 -5.632 1.00 0.00 C ATOM 322 CG ASN A 22 2.975 5.669 -5.882 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.335 5.191 -6.955 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.834 5.928 -4.906 1.00 0.00 N ATOM 0 H ASN A 22 2.129 8.055 -4.088 1.00 0.00 H new ATOM 0 HA ASN A 22 1.396 7.726 -6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.251 5.782 -4.604 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.876 5.428 -6.279 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.826 5.730 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.503 6.325 -4.027 1.00 0.00 H new ATOM 331 N GLY A 23 -0.422 9.035 -4.893 1.00 0.00 N ATOM 332 CA GLY A 23 -1.738 9.617 -4.668 1.00 0.00 C ATOM 333 C GLY A 23 -2.360 9.282 -3.310 1.00 0.00 C ATOM 334 O GLY A 23 -3.497 9.673 -3.054 1.00 0.00 O ATOM 0 H GLY A 23 0.336 9.594 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.662 10.700 -4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.411 9.276 -5.455 1.00 0.00 H new ATOM 338 N VAL A 24 -1.649 8.576 -2.425 1.00 0.00 N ATOM 339 CA VAL A 24 -2.212 8.073 -1.177 1.00 0.00 C ATOM 340 C VAL A 24 -1.724 8.938 -0.017 1.00 0.00 C ATOM 341 O VAL A 24 -0.562 8.893 0.367 1.00 0.00 O ATOM 342 CB VAL A 24 -1.806 6.606 -1.049 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.057 5.996 0.319 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.528 5.761 -2.103 1.00 0.00 C ATOM 0 H VAL A 24 -0.666 8.339 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.301 8.128 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.727 6.598 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.739 4.954 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.492 6.546 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.120 6.050 0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.229 4.718 -2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.605 5.846 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.264 6.118 -3.099 1.00 0.00 H new ATOM 354 N ASN A 25 -2.612 9.752 0.544 1.00 0.00 N ATOM 355 CA ASN A 25 -2.259 10.680 1.610 1.00 0.00 C ATOM 356 C ASN A 25 -1.838 9.918 2.876 1.00 0.00 C ATOM 357 O ASN A 25 -2.286 8.789 3.079 1.00 0.00 O ATOM 358 CB ASN A 25 -3.459 11.592 1.899 1.00 0.00 C ATOM 359 CG ASN A 25 -3.553 12.758 0.918 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.416 13.912 1.309 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.780 12.485 -0.365 1.00 0.00 N ATOM 0 H ASN A 25 -3.595 9.786 0.273 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.412 11.288 1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.377 11.006 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.381 11.980 2.914 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.843 13.243 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.891 11.518 -0.669 1.00 0.00 H new ATOM 368 N PRO A 26 -1.005 10.508 3.749 1.00 0.00 N ATOM 369 CA PRO A 26 -0.728 9.924 5.049 1.00 0.00 C ATOM 370 C PRO A 26 -2.010 9.747 5.857 1.00 0.00 C ATOM 371 O PRO A 26 -2.970 10.503 5.713 1.00 0.00 O ATOM 372 CB PRO A 26 0.271 10.844 5.749 1.00 0.00 C ATOM 373 CG PRO A 26 0.201 12.157 4.973 1.00 0.00 C ATOM 374 CD PRO A 26 -0.303 11.769 3.581 1.00 0.00 C ATOM 0 HA PRO A 26 -0.304 8.925 4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.008 10.989 6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.277 10.425 5.728 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.475 12.864 5.454 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.179 12.636 4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.966 12.535 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.526 11.664 2.881 1.00 0.00 H new ATOM 382 N GLY A 27 -2.009 8.717 6.697 1.00 0.00 N ATOM 383 CA GLY A 27 -3.137 8.301 7.501 1.00 0.00 C ATOM 384 C GLY A 27 -4.196 7.572 6.685 1.00 0.00 C ATOM 385 O GLY A 27 -5.327 7.465 7.155 1.00 0.00 O ATOM 0 H GLY A 27 -1.186 8.130 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.788 7.650 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.585 9.175 7.973 1.00 0.00 H new ATOM 389 N THR A 28 -3.869 7.043 5.496 1.00 0.00 N ATOM 390 CA THR A 28 -4.825 6.276 4.739 1.00 0.00 C ATOM 391 C THR A 28 -4.596 4.820 5.091 1.00 0.00 C ATOM 392 O THR A 28 -3.546 4.259 4.775 1.00 0.00 O ATOM 393 CB THR A 28 -4.620 6.529 3.245 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.826 7.890 2.938 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.619 5.714 2.443 1.00 0.00 C ATOM 0 H THR A 28 -2.954 7.140 5.055 1.00 0.00 H new ATOM 0 HA THR A 28 -5.850 6.560 4.976 1.00 0.00 H new ATOM 0 HB THR A 28 -3.599 6.243 2.993 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.978 8.375 3.015 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.468 5.898 1.379 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.475 4.654 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.632 6.004 2.721 1.00 0.00 H new ATOM 403 N ASP A 29 -5.591 4.222 5.735 1.00 0.00 N ATOM 404 CA ASP A 29 -5.621 2.797 5.973 1.00 0.00 C ATOM 405 C ASP A 29 -5.591 2.101 4.630 1.00 0.00 C ATOM 406 O ASP A 29 -6.292 2.505 3.705 1.00 0.00 O ATOM 407 CB ASP A 29 -6.906 2.412 6.690 1.00 0.00 C ATOM 408 CG ASP A 29 -6.858 0.996 7.244 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.647 0.074 6.424 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.070 0.853 8.467 1.00 0.00 O ATOM 0 H ASP A 29 -6.400 4.720 6.106 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.769 2.508 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.088 3.112 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.745 2.501 6.000 1.00 0.00 H new ATOM 415 N PHE A 30 -4.811 1.033 4.550 1.00 0.00 N ATOM 416 CA PHE A 30 -4.804 0.145 3.408 1.00 0.00 C ATOM 417 C PHE A 30 -6.203 -0.161 2.875 1.00 0.00 C ATOM 418 O PHE A 30 -6.394 -0.250 1.661 1.00 0.00 O ATOM 419 CB PHE A 30 -4.091 -1.142 3.792 1.00 0.00 C ATOM 420 CG PHE A 30 -3.378 -1.745 2.614 1.00 0.00 C ATOM 421 CD1 PHE A 30 -4.101 -2.379 1.592 1.00 0.00 C ATOM 422 CD2 PHE A 30 -2.015 -1.468 2.441 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.425 -2.866 0.466 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.342 -1.935 1.308 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.043 -2.660 0.342 1.00 0.00 C ATOM 0 H PHE A 30 -4.160 0.760 5.286 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.277 0.650 2.599 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.375 -0.940 4.588 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.813 -1.856 4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.172 -2.491 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.483 -0.893 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.965 -3.398 -0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.288 -1.737 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.516 -3.066 -0.509 1.00 0.00 H new ATOM 435 N LYS A 31 -7.198 -0.333 3.752 1.00 0.00 N ATOM 436 CA LYS A 31 -8.520 -0.665 3.241 1.00 0.00 C ATOM 437 C LYS A 31 -9.073 0.496 2.409 1.00 0.00 C ATOM 438 O LYS A 31 -9.663 0.276 1.352 1.00 0.00 O ATOM 439 CB LYS A 31 -9.454 -1.119 4.358 1.00 0.00 C ATOM 440 CG LYS A 31 -9.787 0.046 5.276 1.00 0.00 C ATOM 441 CD LYS A 31 -10.513 -0.457 6.515 1.00 0.00 C ATOM 442 CE LYS A 31 -10.700 0.728 7.471 1.00 0.00 C ATOM 443 NZ LYS A 31 -11.513 0.371 8.645 1.00 0.00 N ATOM 0 H LYS A 31 -7.118 -0.252 4.766 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.439 -1.520 2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.370 -1.527 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.985 -1.919 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.873 0.564 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.409 0.769 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.479 -0.883 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.939 -1.248 6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.724 1.084 7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.176 1.551 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.613 1.201 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.454 0.056 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.047 -0.397 9.169 1.00 0.00 H new ATOM 457 N ASP A 32 -8.843 1.724 2.881 1.00 0.00 N ATOM 458 CA ASP A 32 -9.365 2.950 2.305 1.00 0.00 C ATOM 459 C ASP A 32 -8.559 3.369 1.074 1.00 0.00 C ATOM 460 O ASP A 32 -9.002 4.239 0.326 1.00 0.00 O ATOM 461 CB ASP A 32 -9.375 4.060 3.369 1.00 0.00 C ATOM 462 CG ASP A 32 -10.407 3.807 4.462 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.039 3.150 5.459 1.00 0.00 O ATOM 464 OD2 ASP A 32 -11.554 4.264 4.284 1.00 0.00 O ATOM 0 H ASP A 32 -8.266 1.890 3.706 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.389 2.774 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.385 4.138 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.584 5.017 2.890 1.00 0.00 H new ATOM 469 N ILE A 33 -7.385 2.770 0.823 1.00 0.00 N ATOM 470 CA ILE A 33 -6.655 3.003 -0.398 1.00 0.00 C ATOM 471 C ILE A 33 -7.566 2.642 -1.566 1.00 0.00 C ATOM 472 O ILE A 33 -8.150 1.555 -1.550 1.00 0.00 O ATOM 473 CB ILE A 33 -5.418 2.117 -0.403 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.514 2.520 0.751 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.611 2.220 -1.675 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.153 1.828 0.711 1.00 0.00 C ATOM 0 H ILE A 33 -6.932 2.119 1.464 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.346 4.045 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.773 1.090 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.367 3.600 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.009 2.283 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.744 1.562 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.229 1.924 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.277 3.248 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.553 2.156 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.292 0.748 0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.641 2.085 -0.216 1.00 0.00 H new ATOM 488 N PRO A 34 -7.660 3.500 -2.586 1.00 0.00 N ATOM 489 CA PRO A 34 -8.439 3.196 -3.761 1.00 0.00 C ATOM 490 C PRO A 34 -7.826 1.988 -4.450 1.00 0.00 C ATOM 491 O PRO A 34 -6.614 1.915 -4.618 1.00 0.00 O ATOM 492 CB PRO A 34 -8.373 4.428 -4.662 1.00 0.00 C ATOM 493 CG PRO A 34 -7.329 5.363 -4.035 1.00 0.00 C ATOM 494 CD PRO A 34 -6.809 4.654 -2.780 1.00 0.00 C ATOM 0 HA PRO A 34 -9.476 2.962 -3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.089 4.153 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.345 4.917 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.516 5.561 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.773 6.326 -3.781 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.769 4.354 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.848 5.316 -1.915 1.00 0.00 H new ATOM 502 N ASP A 35 -8.655 1.059 -4.905 1.00 0.00 N ATOM 503 CA ASP A 35 -8.217 -0.134 -5.596 1.00 0.00 C ATOM 504 C ASP A 35 -7.674 0.181 -7.002 1.00 0.00 C ATOM 505 O ASP A 35 -7.148 -0.697 -7.679 1.00 0.00 O ATOM 506 CB ASP A 35 -9.408 -1.088 -5.573 1.00 0.00 C ATOM 507 CG ASP A 35 -9.621 -1.789 -4.226 1.00 0.00 C ATOM 508 OD1 ASP A 35 -8.808 -1.579 -3.292 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.631 -2.517 -4.133 1.00 0.00 O ATOM 0 H ASP A 35 -9.668 1.119 -4.800 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.365 -0.605 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.310 -0.532 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.270 -1.844 -6.346 1.00 0.00 H new ATOM 514 N ASP A 36 -7.749 1.454 -7.401 1.00 0.00 N ATOM 515 CA ASP A 36 -7.062 2.033 -8.547 1.00 0.00 C ATOM 516 C ASP A 36 -5.561 2.225 -8.281 1.00 0.00 C ATOM 517 O ASP A 36 -4.760 2.296 -9.211 1.00 0.00 O ATOM 518 CB ASP A 36 -7.739 3.344 -8.945 1.00 0.00 C ATOM 519 CG ASP A 36 -8.366 3.306 -10.333 1.00 0.00 C ATOM 520 OD1 ASP A 36 -7.590 3.271 -11.311 1.00 0.00 O ATOM 521 OD2 ASP A 36 -9.614 3.333 -10.389 1.00 0.00 O ATOM 0 H ASP A 36 -8.320 2.138 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.136 1.335 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.510 3.583 -8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.005 4.149 -8.908 1.00 0.00 H new ATOM 526 N TRP A 37 -5.173 2.349 -7.007 1.00 0.00 N ATOM 527 CA TRP A 37 -3.778 2.496 -6.611 1.00 0.00 C ATOM 528 C TRP A 37 -3.008 1.219 -6.944 1.00 0.00 C ATOM 529 O TRP A 37 -3.588 0.143 -7.079 1.00 0.00 O ATOM 530 CB TRP A 37 -3.679 2.810 -5.114 1.00 0.00 C ATOM 531 CG TRP A 37 -2.301 2.833 -4.514 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.425 3.864 -4.505 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.619 1.732 -3.848 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.275 3.480 -3.835 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.339 2.174 -3.413 1.00 0.00 C ATOM 536 CE3 TRP A 37 -1.957 0.392 -3.583 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.552 1.339 -2.725 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.075 -0.459 -2.891 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.177 0.013 -2.458 1.00 0.00 C ATOM 0 H TRP A 37 -5.825 2.350 -6.222 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.337 3.326 -7.163 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.141 3.782 -4.940 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.272 2.073 -4.573 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.595 4.833 -4.950 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.524 4.093 -3.674 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.910 0.010 -3.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.514 1.711 -2.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.362 -1.481 -2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.847 -0.642 -1.922 1.00 0.00 H new ATOM 550 N VAL A 38 -1.688 1.351 -7.058 1.00 0.00 N ATOM 551 CA VAL A 38 -0.805 0.290 -7.497 1.00 0.00 C ATOM 552 C VAL A 38 0.496 0.326 -6.690 1.00 0.00 C ATOM 553 O VAL A 38 0.955 1.402 -6.311 1.00 0.00 O ATOM 554 CB VAL A 38 -0.596 0.456 -9.013 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.022 1.809 -9.397 1.00 0.00 C ATOM 556 CG2 VAL A 38 0.270 -0.671 -9.561 1.00 0.00 C ATOM 0 H VAL A 38 -1.199 2.220 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.234 -0.696 -7.320 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.590 0.417 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.142 1.860 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.633 2.615 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.996 1.913 -8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.406 -0.536 -10.634 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.242 -0.656 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.217 -1.628 -9.375 1.00 0.00 H new ATOM 566 N CYS A 39 1.077 -0.848 -6.421 1.00 0.00 N ATOM 567 CA CYS A 39 2.332 -0.973 -5.693 1.00 0.00 C ATOM 568 C CYS A 39 3.486 -0.384 -6.526 1.00 0.00 C ATOM 569 O CYS A 39 3.665 -0.785 -7.686 1.00 0.00 O ATOM 570 CB CYS A 39 2.565 -2.424 -5.353 1.00 0.00 C ATOM 571 SG CYS A 39 4.105 -2.633 -4.416 1.00 0.00 S ATOM 0 H CYS A 39 0.681 -1.743 -6.708 1.00 0.00 H new ATOM 0 HA CYS A 39 2.284 -0.409 -4.762 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.726 -2.804 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.610 -3.013 -6.269 1.00 0.00 H new ATOM 576 N PRO A 40 4.257 0.571 -5.971 1.00 0.00 N ATOM 577 CA PRO A 40 5.316 1.259 -6.691 1.00 0.00 C ATOM 578 C PRO A 40 6.449 0.296 -7.054 1.00 0.00 C ATOM 579 O PRO A 40 6.915 -0.475 -6.221 1.00 0.00 O ATOM 580 CB PRO A 40 5.796 2.379 -5.758 1.00 0.00 C ATOM 581 CG PRO A 40 5.466 1.845 -4.367 1.00 0.00 C ATOM 582 CD PRO A 40 4.174 1.064 -4.603 1.00 0.00 C ATOM 0 HA PRO A 40 4.961 1.666 -7.638 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.863 2.568 -5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.282 3.319 -5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.260 1.206 -3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.326 2.651 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.079 0.241 -3.895 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.301 1.702 -4.469 1.00 0.00 H new ATOM 590 N LEU A 41 6.907 0.361 -8.309 1.00 0.00 N ATOM 591 CA LEU A 41 7.987 -0.468 -8.841 1.00 0.00 C ATOM 592 C LEU A 41 7.654 -1.964 -8.768 1.00 0.00 C ATOM 593 O LEU A 41 8.558 -2.793 -8.671 1.00 0.00 O ATOM 594 CB LEU A 41 9.330 -0.144 -8.157 1.00 0.00 C ATOM 595 CG LEU A 41 9.694 1.351 -8.144 1.00 0.00 C ATOM 596 CD1 LEU A 41 11.046 1.533 -7.442 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.780 1.932 -9.560 1.00 0.00 C ATOM 0 H LEU A 41 6.525 1.009 -8.998 1.00 0.00 H new ATOM 0 HA LEU A 41 8.092 -0.224 -9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.297 -0.506 -7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.123 -0.694 -8.663 1.00 0.00 H new ATOM 0 HG LEU A 41 8.907 1.884 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.310 2.590 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.977 1.164 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.813 0.974 -7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.039 2.989 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.545 1.400 -10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.817 1.820 -10.058 1.00 0.00 H new ATOM 609 N CYS A 42 6.366 -2.308 -8.857 1.00 0.00 N ATOM 610 CA CYS A 42 5.876 -3.673 -8.737 1.00 0.00 C ATOM 611 C CYS A 42 4.723 -3.871 -9.718 1.00 0.00 C ATOM 612 O CYS A 42 4.869 -4.583 -10.711 1.00 0.00 O ATOM 613 CB CYS A 42 5.474 -3.883 -7.304 1.00 0.00 C ATOM 614 SG CYS A 42 4.498 -5.389 -7.049 1.00 0.00 S ATOM 0 H CYS A 42 5.624 -1.627 -9.018 1.00 0.00 H new ATOM 0 HA CYS A 42 6.635 -4.413 -8.990 1.00 0.00 H new ATOM 0 HB2 CYS A 42 6.370 -3.930 -6.685 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.897 -3.022 -6.965 1.00 0.00 H new ATOM 619 N GLY A 43 3.589 -3.210 -9.475 1.00 0.00 N ATOM 620 CA GLY A 43 2.454 -3.290 -10.379 1.00 0.00 C ATOM 621 C GLY A 43 1.522 -4.481 -10.134 1.00 0.00 C ATOM 622 O GLY A 43 0.738 -4.807 -11.022 1.00 0.00 O ATOM 0 H GLY A 43 3.438 -2.616 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.875 -2.370 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.825 -3.341 -11.403 1.00 0.00 H new ATOM 626 N VAL A 44 1.564 -5.128 -8.962 1.00 0.00 N ATOM 627 CA VAL A 44 0.742 -6.316 -8.729 1.00 0.00 C ATOM 628 C VAL A 44 -0.752 -5.989 -8.568 1.00 0.00 C ATOM 629 O VAL A 44 -1.581 -6.568 -9.266 1.00 0.00 O ATOM 630 CB VAL A 44 1.310 -7.173 -7.583 1.00 0.00 C ATOM 631 CG1 VAL A 44 1.218 -6.515 -6.200 1.00 0.00 C ATOM 632 CG2 VAL A 44 0.618 -8.543 -7.546 1.00 0.00 C ATOM 0 H VAL A 44 2.149 -4.852 -8.174 1.00 0.00 H new ATOM 0 HA VAL A 44 0.795 -6.927 -9.630 1.00 0.00 H new ATOM 0 HB VAL A 44 2.372 -7.285 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.639 -7.184 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.775 -5.578 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.174 -6.314 -5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.031 -9.137 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.452 -8.406 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.784 -9.060 -8.491 1.00 0.00 H new ATOM 642 N GLY A 45 -1.108 -5.097 -7.637 1.00 0.00 N ATOM 643 CA GLY A 45 -2.490 -4.841 -7.245 1.00 0.00 C ATOM 644 C GLY A 45 -2.496 -4.291 -5.821 1.00 0.00 C ATOM 645 O GLY A 45 -1.490 -3.717 -5.401 1.00 0.00 O ATOM 0 H GLY A 45 -0.431 -4.527 -7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.952 -4.128 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.075 -5.759 -7.299 1.00 0.00 H new ATOM 649 N LYS A 46 -3.584 -4.497 -5.067 1.00 0.00 N ATOM 650 CA LYS A 46 -3.628 -4.225 -3.631 1.00 0.00 C ATOM 651 C LYS A 46 -4.570 -5.179 -2.894 1.00 0.00 C ATOM 652 O LYS A 46 -5.229 -4.801 -1.930 1.00 0.00 O ATOM 653 CB LYS A 46 -3.940 -2.749 -3.363 1.00 0.00 C ATOM 654 CG LYS A 46 -5.362 -2.246 -3.668 1.00 0.00 C ATOM 655 CD LYS A 46 -5.682 -1.029 -2.786 1.00 0.00 C ATOM 656 CE LYS A 46 -6.094 -1.427 -1.358 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.497 -1.032 -1.082 1.00 0.00 N ATOM 0 H LYS A 46 -4.461 -4.859 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.636 -4.418 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.733 -2.549 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.241 -2.149 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.444 -1.976 -4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.086 -3.040 -3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.809 -0.378 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.485 -0.453 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.983 -2.504 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.429 -0.950 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.757 -1.326 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.590 0.000 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.129 -1.493 -1.767 1.00 0.00 H new ATOM 671 N ASP A 47 -4.636 -6.414 -3.378 1.00 0.00 N ATOM 672 CA ASP A 47 -5.706 -7.361 -3.109 1.00 0.00 C ATOM 673 C ASP A 47 -5.288 -8.325 -1.999 1.00 0.00 C ATOM 674 O ASP A 47 -6.006 -8.533 -1.024 1.00 0.00 O ATOM 675 CB ASP A 47 -6.005 -8.120 -4.413 1.00 0.00 C ATOM 676 CG ASP A 47 -6.215 -7.190 -5.607 1.00 0.00 C ATOM 677 OD1 ASP A 47 -5.245 -6.460 -5.931 1.00 0.00 O ATOM 678 OD2 ASP A 47 -7.327 -7.228 -6.170 1.00 0.00 O ATOM 0 H ASP A 47 -3.917 -6.796 -3.992 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.603 -6.841 -2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.181 -8.800 -4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.896 -8.733 -4.275 1.00 0.00 H new ATOM 683 N GLN A 48 -4.096 -8.901 -2.150 1.00 0.00 N ATOM 684 CA GLN A 48 -3.490 -9.828 -1.206 1.00 0.00 C ATOM 685 C GLN A 48 -2.576 -9.037 -0.262 1.00 0.00 C ATOM 686 O GLN A 48 -1.357 -9.180 -0.314 1.00 0.00 O ATOM 687 CB GLN A 48 -2.720 -10.886 -2.011 1.00 0.00 C ATOM 688 CG GLN A 48 -3.652 -11.826 -2.789 1.00 0.00 C ATOM 689 CD GLN A 48 -4.160 -12.970 -1.917 1.00 0.00 C ATOM 690 OE1 GLN A 48 -5.277 -12.936 -1.414 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.339 -14.002 -1.735 1.00 0.00 N ATOM 0 H GLN A 48 -3.507 -8.726 -2.964 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.236 -10.337 -0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.047 -10.388 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.100 -11.473 -1.334 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.499 -11.260 -3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.122 -12.233 -3.650 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.415 -14.001 -2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.634 -14.794 -1.164 1.00 0.00 H new ATOM 700 N PHE A 49 -3.169 -8.184 0.579 1.00 0.00 N ATOM 701 CA PHE A 49 -2.455 -7.343 1.534 1.00 0.00 C ATOM 702 C PHE A 49 -2.560 -7.964 2.929 1.00 0.00 C ATOM 703 O PHE A 49 -3.653 -8.053 3.481 1.00 0.00 O ATOM 704 CB PHE A 49 -2.980 -5.894 1.483 1.00 0.00 C ATOM 705 CG PHE A 49 -4.462 -5.687 1.787 1.00 0.00 C ATOM 706 CD1 PHE A 49 -5.432 -6.029 0.832 1.00 0.00 C ATOM 707 CD2 PHE A 49 -4.874 -5.015 2.952 1.00 0.00 C ATOM 708 CE1 PHE A 49 -6.795 -5.789 1.072 1.00 0.00 C ATOM 709 CE2 PHE A 49 -6.236 -4.774 3.204 1.00 0.00 C ATOM 710 CZ PHE A 49 -7.202 -5.175 2.267 1.00 0.00 C ATOM 0 H PHE A 49 -4.181 -8.059 0.612 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.398 -7.293 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.402 -5.298 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.778 -5.494 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.126 -6.483 -0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.134 -4.679 3.663 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.531 -6.077 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.539 -4.282 4.116 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.251 -5.012 2.464 1.00 0.00 H new ATOM 720 N GLU A 50 -1.431 -8.396 3.501 1.00 0.00 N ATOM 721 CA GLU A 50 -1.381 -8.905 4.864 1.00 0.00 C ATOM 722 C GLU A 50 -0.877 -7.792 5.767 1.00 0.00 C ATOM 723 O GLU A 50 -0.006 -7.023 5.364 1.00 0.00 O ATOM 724 CB GLU A 50 -0.449 -10.112 4.955 1.00 0.00 C ATOM 725 CG GLU A 50 -1.125 -11.383 4.434 1.00 0.00 C ATOM 726 CD GLU A 50 -0.221 -12.596 4.606 1.00 0.00 C ATOM 727 OE1 GLU A 50 0.830 -12.616 3.931 1.00 0.00 O ATOM 728 OE2 GLU A 50 -0.593 -13.474 5.414 1.00 0.00 O ATOM 0 H GLU A 50 -0.528 -8.400 3.026 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.376 -9.225 5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.456 -9.918 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.143 -10.260 5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.061 -11.545 4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.376 -11.259 3.380 1.00 0.00 H new ATOM 735 N GLU A 51 -1.417 -7.705 6.981 1.00 0.00 N ATOM 736 CA GLU A 51 -1.044 -6.710 7.950 1.00 0.00 C ATOM 737 C GLU A 51 0.343 -7.072 8.494 1.00 0.00 C ATOM 738 O GLU A 51 0.622 -8.227 8.804 1.00 0.00 O ATOM 739 CB GLU A 51 -2.147 -6.666 9.017 1.00 0.00 C ATOM 740 CG GLU A 51 -1.775 -5.691 10.125 1.00 0.00 C ATOM 741 CD GLU A 51 -2.858 -5.555 11.187 1.00 0.00 C ATOM 742 OE1 GLU A 51 -3.727 -4.676 11.008 1.00 0.00 O ATOM 743 OE2 GLU A 51 -2.771 -6.300 12.188 1.00 0.00 O ATOM 0 H GLU A 51 -2.140 -8.344 7.313 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.962 -5.707 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.091 -6.366 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.297 -7.661 9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.850 -6.022 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.577 -4.712 9.689 1.00 0.00 H new ATOM 750 N VAL A 52 1.213 -6.070 8.587 1.00 0.00 N ATOM 751 CA VAL A 52 2.535 -6.135 9.162 1.00 0.00 C ATOM 752 C VAL A 52 2.373 -5.715 10.616 1.00 0.00 C ATOM 753 O VAL A 52 2.107 -4.545 10.901 1.00 0.00 O ATOM 754 CB VAL A 52 3.431 -5.198 8.339 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.713 -4.815 9.063 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.784 -5.830 6.999 1.00 0.00 C ATOM 0 H VAL A 52 0.991 -5.137 8.239 1.00 0.00 H new ATOM 0 HA VAL A 52 3.000 -7.121 9.140 1.00 0.00 H new ATOM 0 HB VAL A 52 2.853 -4.287 8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.304 -4.152 8.431 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.466 -4.304 9.994 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.289 -5.714 9.284 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.419 -5.150 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.315 -6.767 7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.871 -6.026 6.438 1.00 0.00 H new ATOM 766 N GLU A 53 2.508 -6.672 11.537 1.00 0.00 N ATOM 767 CA GLU A 53 2.267 -6.489 12.950 1.00 0.00 C ATOM 768 C GLU A 53 3.416 -5.790 13.679 1.00 0.00 C ATOM 769 O GLU A 53 3.850 -6.203 14.754 1.00 0.00 O ATOM 770 CB GLU A 53 1.899 -7.830 13.572 1.00 0.00 C ATOM 771 CG GLU A 53 2.954 -8.931 13.404 1.00 0.00 C ATOM 772 CD GLU A 53 2.552 -10.167 14.196 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.532 -10.772 13.806 1.00 0.00 O ATOM 774 OE2 GLU A 53 3.253 -10.469 15.185 1.00 0.00 O ATOM 0 H GLU A 53 2.798 -7.621 11.301 1.00 0.00 H new ATOM 0 HA GLU A 53 1.426 -5.805 13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.715 -7.682 14.636 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.963 -8.174 13.132 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.061 -9.185 12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.924 -8.571 13.745 1.00 0.00 H new ATOM 781 N GLU A 54 3.816 -4.660 13.119 1.00 0.00 N ATOM 782 CA GLU A 54 4.368 -3.570 13.890 1.00 0.00 C ATOM 783 C GLU A 54 3.165 -2.800 14.466 1.00 0.00 C ATOM 784 O GLU A 54 2.117 -3.454 14.710 1.00 0.00 O ATOM 785 CB GLU A 54 5.290 -2.733 12.986 1.00 0.00 C ATOM 786 CG GLU A 54 6.310 -3.628 12.252 1.00 0.00 C ATOM 787 CD GLU A 54 7.395 -2.828 11.544 1.00 0.00 C ATOM 788 OE1 GLU A 54 7.145 -2.423 10.386 1.00 0.00 O ATOM 789 OE2 GLU A 54 8.460 -2.610 12.156 1.00 0.00 O ATOM 790 OXT GLU A 54 3.284 -1.569 14.631 1.00 0.00 O ATOM 0 H GLU A 54 3.765 -4.477 12.117 1.00 0.00 H new ATOM 0 HA GLU A 54 4.995 -3.892 14.721 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.691 -2.186 12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.818 -1.992 13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.774 -4.306 12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.786 -4.246 11.523 1.00 0.00 H new TER 797 GLU A 54 HETATM 798 FE FE A 55 4.780 -4.742 -4.939 1.00 0.00 FE