USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 363 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 CYS SG : rot -162:sc= 2.04 USER MOD Set 1.2: A 7 THR OG1 : rot 14:sc= 0.22 USER MOD Set 1.3: A 9 CYS SG : rot -150:sc= 1.34 USER MOD Set 1.4: A 39 CYS SG : rot -159:sc= -0.257 USER MOD Set 1.5: A 42 CYS SG : rot 106:sc= 0.732 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 0.677 (180deg=0.422) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 170:sc= 0.733 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -13:sc= 1.09 USER MOD Single : A 14 ASN : amide:sc= -1.12 K(o=-1.1,f=-7.6!) USER MOD Single : A 22 ASN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 28 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 2.64 (180deg=2.53) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -2.242 0.128 10.624 1.00 0.00 N ATOM 21 CA LYS A 2 -0.915 -0.464 10.660 1.00 0.00 C ATOM 22 C LYS A 2 -0.364 -0.741 9.262 1.00 0.00 C ATOM 23 O LYS A 2 -1.024 -0.550 8.244 1.00 0.00 O ATOM 24 CB LYS A 2 -0.909 -1.741 11.491 1.00 0.00 C ATOM 25 CG LYS A 2 -1.688 -1.595 12.796 1.00 0.00 C ATOM 26 CD LYS A 2 -1.478 -2.902 13.559 1.00 0.00 C ATOM 27 CE LYS A 2 -2.710 -3.286 14.380 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.854 -2.447 15.583 1.00 0.00 N ATOM 0 HA LYS A 2 -0.259 0.268 11.131 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.338 -2.554 10.905 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.121 -2.019 11.716 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.327 -0.744 13.373 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.747 -1.422 12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.248 -3.701 12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.617 -2.802 14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.602 -3.190 13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.638 -4.333 14.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.701 -2.740 16.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.014 -2.558 16.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.949 -1.450 15.302 1.00 0.00 H new ATOM 42 N LYS A 3 0.895 -1.153 9.221 1.00 0.00 N ATOM 43 CA LYS A 3 1.595 -1.384 7.981 1.00 0.00 C ATOM 44 C LYS A 3 1.070 -2.651 7.320 1.00 0.00 C ATOM 45 O LYS A 3 0.300 -3.396 7.923 1.00 0.00 O ATOM 46 CB LYS A 3 3.090 -1.401 8.280 1.00 0.00 C ATOM 47 CG LYS A 3 3.488 -0.063 8.920 1.00 0.00 C ATOM 48 CD LYS A 3 4.952 -0.097 9.358 1.00 0.00 C ATOM 49 CE LYS A 3 6.004 0.186 8.282 1.00 0.00 C ATOM 50 NZ LYS A 3 7.313 -0.388 8.666 1.00 0.00 N ATOM 0 H LYS A 3 1.455 -1.335 10.054 1.00 0.00 H new ATOM 0 HA LYS A 3 1.420 -0.588 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.330 -2.225 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.656 -1.562 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.333 0.748 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.849 0.141 9.779 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.083 0.630 10.160 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.156 -1.080 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.681 -0.237 7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.102 1.262 8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.020 -0.156 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.612 0.009 9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.228 -1.421 8.749 1.00 0.00 H new ATOM 64 N TYR A 4 1.477 -2.886 6.076 1.00 0.00 N ATOM 65 CA TYR A 4 1.010 -4.029 5.292 1.00 0.00 C ATOM 66 C TYR A 4 2.062 -4.530 4.303 1.00 0.00 C ATOM 67 O TYR A 4 2.783 -3.717 3.724 1.00 0.00 O ATOM 68 CB TYR A 4 -0.223 -3.624 4.488 1.00 0.00 C ATOM 69 CG TYR A 4 -1.517 -3.659 5.262 1.00 0.00 C ATOM 70 CD1 TYR A 4 -2.264 -4.844 5.307 1.00 0.00 C ATOM 71 CD2 TYR A 4 -1.961 -2.529 5.963 1.00 0.00 C ATOM 72 CE1 TYR A 4 -3.403 -4.931 6.124 1.00 0.00 C ATOM 73 CE2 TYR A 4 -3.170 -2.576 6.667 1.00 0.00 C ATOM 74 CZ TYR A 4 -3.859 -3.790 6.808 1.00 0.00 C ATOM 75 OH TYR A 4 -5.009 -3.831 7.540 1.00 0.00 O ATOM 0 H TYR A 4 2.140 -2.290 5.581 1.00 0.00 H new ATOM 0 HA TYR A 4 0.788 -4.827 6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.073 -2.616 4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.312 -4.286 3.627 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.963 -5.693 4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.371 -1.624 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.926 -5.870 6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.574 -1.674 7.103 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.171 -2.953 7.945 1.00 0.00 H new ATOM 85 N THR A 5 2.112 -5.845 4.059 1.00 0.00 N ATOM 86 CA THR A 5 2.922 -6.417 2.987 1.00 0.00 C ATOM 87 C THR A 5 2.342 -6.110 1.594 1.00 0.00 C ATOM 88 O THR A 5 1.222 -5.613 1.464 1.00 0.00 O ATOM 89 CB THR A 5 3.093 -7.931 3.206 1.00 0.00 C ATOM 90 OG1 THR A 5 1.860 -8.604 3.070 1.00 0.00 O ATOM 91 CG2 THR A 5 3.667 -8.237 4.593 1.00 0.00 C ATOM 0 H THR A 5 1.593 -6.537 4.599 1.00 0.00 H new ATOM 0 HA THR A 5 3.905 -5.947 3.021 1.00 0.00 H new ATOM 0 HB THR A 5 3.790 -8.282 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.016 -9.571 3.052 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.774 -9.315 4.713 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.642 -7.762 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.993 -7.852 5.359 1.00 0.00 H new ATOM 99 N CYS A 6 3.127 -6.430 0.559 1.00 0.00 N ATOM 100 CA CYS A 6 2.741 -6.505 -0.844 1.00 0.00 C ATOM 101 C CYS A 6 2.727 -7.993 -1.197 1.00 0.00 C ATOM 102 O CYS A 6 3.272 -8.806 -0.448 1.00 0.00 O ATOM 103 CB CYS A 6 3.763 -5.734 -1.659 1.00 0.00 C ATOM 104 SG CYS A 6 3.790 -6.118 -3.443 1.00 0.00 S ATOM 0 H CYS A 6 4.112 -6.657 0.694 1.00 0.00 H new ATOM 0 HA CYS A 6 1.763 -6.070 -1.049 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.571 -4.668 -1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.753 -5.929 -1.247 1.00 0.00 H new ATOM 0 HG CYS A 6 4.915 -5.717 -3.956 1.00 0.00 H new ATOM 109 N THR A 7 2.142 -8.342 -2.345 1.00 0.00 N ATOM 110 CA THR A 7 2.215 -9.659 -2.939 1.00 0.00 C ATOM 111 C THR A 7 3.657 -10.185 -2.976 1.00 0.00 C ATOM 112 O THR A 7 3.892 -11.321 -2.571 1.00 0.00 O ATOM 113 CB THR A 7 1.580 -9.590 -4.340 1.00 0.00 C ATOM 114 OG1 THR A 7 1.838 -8.345 -4.966 1.00 0.00 O ATOM 115 CG2 THR A 7 0.057 -9.696 -4.241 1.00 0.00 C ATOM 0 H THR A 7 1.589 -7.687 -2.897 1.00 0.00 H new ATOM 0 HA THR A 7 1.660 -10.372 -2.330 1.00 0.00 H new ATOM 0 HB THR A 7 2.011 -10.411 -4.913 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.544 -7.873 -4.477 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.377 -9.646 -5.240 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.212 -10.644 -3.776 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.326 -8.874 -3.637 1.00 0.00 H new ATOM 123 N VAL A 8 4.615 -9.393 -3.484 1.00 0.00 N ATOM 124 CA VAL A 8 5.994 -9.848 -3.683 1.00 0.00 C ATOM 125 C VAL A 8 7.052 -8.738 -3.527 1.00 0.00 C ATOM 126 O VAL A 8 8.201 -8.960 -3.909 1.00 0.00 O ATOM 127 CB VAL A 8 6.137 -10.603 -5.029 1.00 0.00 C ATOM 128 CG1 VAL A 8 5.548 -12.020 -4.985 1.00 0.00 C ATOM 129 CG2 VAL A 8 5.523 -9.838 -6.210 1.00 0.00 C ATOM 0 H VAL A 8 4.454 -8.426 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 8 6.202 -10.546 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 8 7.213 -10.680 -5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.678 -12.498 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.061 -12.604 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.486 -11.965 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.654 -10.416 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.460 -9.681 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.019 -8.873 -6.316 1.00 0.00 H new ATOM 139 N CYS A 9 6.728 -7.585 -2.927 1.00 0.00 N ATOM 140 CA CYS A 9 7.699 -6.510 -2.720 1.00 0.00 C ATOM 141 C CYS A 9 8.074 -6.362 -1.246 1.00 0.00 C ATOM 142 O CYS A 9 7.240 -6.017 -0.406 1.00 0.00 O ATOM 143 CB CYS A 9 7.179 -5.205 -3.249 1.00 0.00 C ATOM 144 SG CYS A 9 6.858 -5.323 -5.023 1.00 0.00 S ATOM 0 H CYS A 9 5.794 -7.375 -2.575 1.00 0.00 H new ATOM 0 HA CYS A 9 8.598 -6.782 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.263 -4.933 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.903 -4.413 -3.057 1.00 0.00 H new ATOM 0 HG CYS A 9 7.030 -4.158 -5.574 1.00 0.00 H new ATOM 149 N GLY A 10 9.359 -6.535 -0.925 1.00 0.00 N ATOM 150 CA GLY A 10 9.887 -6.262 0.404 1.00 0.00 C ATOM 151 C GLY A 10 10.042 -4.757 0.646 1.00 0.00 C ATOM 152 O GLY A 10 11.127 -4.305 1.006 1.00 0.00 O ATOM 0 H GLY A 10 10.061 -6.870 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.221 -6.686 1.156 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.853 -6.752 0.521 1.00 0.00 H new ATOM 156 N TYR A 11 8.964 -3.990 0.457 1.00 0.00 N ATOM 157 CA TYR A 11 8.913 -2.554 0.718 1.00 0.00 C ATOM 158 C TYR A 11 8.003 -2.263 1.906 1.00 0.00 C ATOM 159 O TYR A 11 8.396 -1.515 2.797 1.00 0.00 O ATOM 160 CB TYR A 11 8.444 -1.786 -0.529 1.00 0.00 C ATOM 161 CG TYR A 11 9.385 -1.839 -1.721 1.00 0.00 C ATOM 162 CD1 TYR A 11 10.768 -1.625 -1.557 1.00 0.00 C ATOM 163 CD2 TYR A 11 8.868 -2.043 -3.013 1.00 0.00 C ATOM 164 CE1 TYR A 11 11.633 -1.712 -2.660 1.00 0.00 C ATOM 165 CE2 TYR A 11 9.739 -2.188 -4.106 1.00 0.00 C ATOM 166 CZ TYR A 11 11.119 -2.015 -3.933 1.00 0.00 C ATOM 167 OH TYR A 11 11.960 -2.122 -5.000 1.00 0.00 O ATOM 0 H TYR A 11 8.081 -4.364 0.109 1.00 0.00 H new ATOM 0 HA TYR A 11 9.919 -2.214 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.475 -2.181 -0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 11 8.290 -0.742 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.164 -1.393 -0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 11 7.800 -2.088 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 11 12.692 -1.546 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 11 9.344 -2.433 -5.081 1.00 0.00 H new ATOM 0 HH TYR A 11 11.443 -2.337 -5.804 1.00 0.00 H new ATOM 177 N ILE A 12 6.811 -2.873 1.910 1.00 0.00 N ATOM 178 CA ILE A 12 5.768 -2.691 2.914 1.00 0.00 C ATOM 179 C ILE A 12 5.111 -1.309 2.798 1.00 0.00 C ATOM 180 O ILE A 12 5.778 -0.277 2.790 1.00 0.00 O ATOM 181 CB ILE A 12 6.262 -3.061 4.337 1.00 0.00 C ATOM 182 CG1 ILE A 12 6.125 -4.584 4.504 1.00 0.00 C ATOM 183 CG2 ILE A 12 5.506 -2.302 5.440 1.00 0.00 C ATOM 184 CD1 ILE A 12 6.985 -5.149 5.637 1.00 0.00 C ATOM 0 H ILE A 12 6.541 -3.533 1.181 1.00 0.00 H new ATOM 0 HA ILE A 12 4.967 -3.402 2.711 1.00 0.00 H new ATOM 0 HB ILE A 12 7.305 -2.762 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.080 -4.829 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.402 -5.071 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.891 -2.599 6.415 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.646 -1.229 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.444 -2.539 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.841 -6.228 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.035 -4.934 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.692 -4.688 6.580 1.00 0.00 H new ATOM 196 N TYR A 13 3.779 -1.292 2.723 1.00 0.00 N ATOM 197 CA TYR A 13 2.997 -0.068 2.777 1.00 0.00 C ATOM 198 C TYR A 13 2.950 0.412 4.224 1.00 0.00 C ATOM 199 O TYR A 13 2.791 -0.408 5.133 1.00 0.00 O ATOM 200 CB TYR A 13 1.576 -0.358 2.294 1.00 0.00 C ATOM 201 CG TYR A 13 0.621 0.814 2.428 1.00 0.00 C ATOM 202 CD1 TYR A 13 -0.079 1.033 3.626 1.00 0.00 C ATOM 203 CD2 TYR A 13 0.488 1.731 1.377 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.881 2.177 3.774 1.00 0.00 C ATOM 205 CE2 TYR A 13 -0.164 2.959 1.595 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.848 3.192 2.801 1.00 0.00 C ATOM 207 OH TYR A 13 -1.628 4.307 2.932 1.00 0.00 O ATOM 0 H TYR A 13 3.214 -2.136 2.623 1.00 0.00 H new ATOM 0 HA TYR A 13 3.447 0.696 2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.615 -0.662 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.178 -1.202 2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.001 0.321 4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.885 1.496 0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.524 2.277 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.139 3.725 0.834 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.292 4.160 3.637 1.00 0.00 H new ATOM 217 N ASN A 14 3.025 1.731 4.432 1.00 0.00 N ATOM 218 CA ASN A 14 2.896 2.350 5.743 1.00 0.00 C ATOM 219 C ASN A 14 1.811 3.417 5.722 1.00 0.00 C ATOM 220 O ASN A 14 1.967 4.416 5.028 1.00 0.00 O ATOM 221 CB ASN A 14 4.242 2.944 6.165 1.00 0.00 C ATOM 222 CG ASN A 14 4.210 3.451 7.603 1.00 0.00 C ATOM 223 OD1 ASN A 14 3.186 3.407 8.277 1.00 0.00 O ATOM 224 ND2 ASN A 14 5.349 3.885 8.109 1.00 0.00 N ATOM 0 H ASN A 14 3.179 2.402 3.680 1.00 0.00 H new ATOM 0 HA ASN A 14 2.605 1.593 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.021 2.188 6.063 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.504 3.764 5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.391 4.193 9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.187 3.912 7.529 1.00 0.00 H new ATOM 231 N PRO A 15 0.710 3.254 6.471 1.00 0.00 N ATOM 232 CA PRO A 15 -0.375 4.210 6.421 1.00 0.00 C ATOM 233 C PRO A 15 0.030 5.544 6.998 1.00 0.00 C ATOM 234 O PRO A 15 -0.341 6.564 6.432 1.00 0.00 O ATOM 235 CB PRO A 15 -1.550 3.604 7.185 1.00 0.00 C ATOM 236 CG PRO A 15 -0.924 2.511 8.038 1.00 0.00 C ATOM 237 CD PRO A 15 0.432 2.181 7.408 1.00 0.00 C ATOM 0 HA PRO A 15 -0.656 4.406 5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.051 4.351 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.299 3.197 6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.801 2.847 9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.563 1.628 8.065 1.00 0.00 H new ATOM 0 HD2 PRO A 15 1.210 2.116 8.169 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.402 1.217 6.900 1.00 0.00 H new ATOM 245 N GLU A 16 0.797 5.561 8.087 1.00 0.00 N ATOM 246 CA GLU A 16 1.191 6.809 8.709 1.00 0.00 C ATOM 247 C GLU A 16 1.968 7.693 7.730 1.00 0.00 C ATOM 248 O GLU A 16 1.860 8.917 7.776 1.00 0.00 O ATOM 249 CB GLU A 16 1.987 6.502 9.972 1.00 0.00 C ATOM 250 CG GLU A 16 1.115 5.763 11.002 1.00 0.00 C ATOM 251 CD GLU A 16 1.557 6.057 12.430 1.00 0.00 C ATOM 252 OE1 GLU A 16 2.734 5.768 12.731 1.00 0.00 O ATOM 253 OE2 GLU A 16 0.707 6.572 13.189 1.00 0.00 O ATOM 0 H GLU A 16 1.153 4.725 8.550 1.00 0.00 H new ATOM 0 HA GLU A 16 0.304 7.377 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.856 5.893 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.362 7.429 10.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.073 6.058 10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.166 4.690 10.819 1.00 0.00 H new ATOM 260 N ASP A 17 2.699 7.055 6.813 1.00 0.00 N ATOM 261 CA ASP A 17 3.444 7.734 5.761 1.00 0.00 C ATOM 262 C ASP A 17 2.552 7.936 4.534 1.00 0.00 C ATOM 263 O ASP A 17 2.706 8.905 3.791 1.00 0.00 O ATOM 264 CB ASP A 17 4.662 6.887 5.371 1.00 0.00 C ATOM 265 CG ASP A 17 5.741 6.759 6.440 1.00 0.00 C ATOM 266 OD1 ASP A 17 5.946 7.740 7.185 1.00 0.00 O ATOM 267 OD2 ASP A 17 6.357 5.668 6.486 1.00 0.00 O ATOM 0 H ASP A 17 2.788 6.039 6.784 1.00 0.00 H new ATOM 0 HA ASP A 17 3.773 8.706 6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.318 5.887 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.111 7.318 4.476 1.00 0.00 H new ATOM 272 N GLY A 18 1.619 7.009 4.306 1.00 0.00 N ATOM 273 CA GLY A 18 0.893 6.882 3.065 1.00 0.00 C ATOM 274 C GLY A 18 1.838 6.526 1.917 1.00 0.00 C ATOM 275 O GLY A 18 2.967 6.092 2.137 1.00 0.00 O ATOM 0 H GLY A 18 1.350 6.315 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.127 6.113 3.164 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.379 7.817 2.842 1.00 0.00 H new ATOM 279 N ASP A 19 1.367 6.745 0.690 1.00 0.00 N ATOM 280 CA ASP A 19 2.143 6.642 -0.537 1.00 0.00 C ATOM 281 C ASP A 19 1.752 7.824 -1.439 1.00 0.00 C ATOM 282 O ASP A 19 1.217 7.632 -2.538 1.00 0.00 O ATOM 283 CB ASP A 19 1.903 5.261 -1.186 1.00 0.00 C ATOM 284 CG ASP A 19 3.030 4.280 -0.891 1.00 0.00 C ATOM 285 OD1 ASP A 19 4.137 4.533 -1.413 1.00 0.00 O ATOM 286 OD2 ASP A 19 2.750 3.276 -0.203 1.00 0.00 O ATOM 0 H ASP A 19 0.396 7.009 0.521 1.00 0.00 H new ATOM 0 HA ASP A 19 3.215 6.704 -0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.962 4.850 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.802 5.381 -2.265 1.00 0.00 H new ATOM 291 N PRO A 20 1.976 9.072 -0.992 1.00 0.00 N ATOM 292 CA PRO A 20 1.468 10.248 -1.681 1.00 0.00 C ATOM 293 C PRO A 20 2.064 10.367 -3.078 1.00 0.00 C ATOM 294 O PRO A 20 1.385 10.826 -3.993 1.00 0.00 O ATOM 295 CB PRO A 20 1.805 11.452 -0.799 1.00 0.00 C ATOM 296 CG PRO A 20 2.929 10.949 0.107 1.00 0.00 C ATOM 297 CD PRO A 20 2.658 9.451 0.235 1.00 0.00 C ATOM 0 HA PRO A 20 0.390 10.185 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.126 12.306 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.941 11.776 -0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.909 11.141 -0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 20 2.910 11.443 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.587 8.893 0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.042 9.237 1.108 1.00 0.00 H new ATOM 305 N ASP A 21 3.304 9.902 -3.258 1.00 0.00 N ATOM 306 CA ASP A 21 3.991 9.909 -4.532 1.00 0.00 C ATOM 307 C ASP A 21 3.215 9.097 -5.570 1.00 0.00 C ATOM 308 O ASP A 21 3.265 9.385 -6.762 1.00 0.00 O ATOM 309 CB ASP A 21 5.386 9.321 -4.307 1.00 0.00 C ATOM 310 CG ASP A 21 6.211 10.208 -3.390 1.00 0.00 C ATOM 311 OD1 ASP A 21 6.049 10.032 -2.163 1.00 0.00 O ATOM 312 OD2 ASP A 21 6.951 11.059 -3.928 1.00 0.00 O ATOM 0 H ASP A 21 3.860 9.505 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 21 4.069 10.926 -4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.299 8.325 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.895 9.208 -5.264 1.00 0.00 H new ATOM 317 N ASN A 22 2.502 8.069 -5.100 1.00 0.00 N ATOM 318 CA ASN A 22 1.720 7.154 -5.920 1.00 0.00 C ATOM 319 C ASN A 22 0.258 7.590 -5.962 1.00 0.00 C ATOM 320 O ASN A 22 -0.441 7.319 -6.934 1.00 0.00 O ATOM 321 CB ASN A 22 1.838 5.729 -5.371 1.00 0.00 C ATOM 322 CG ASN A 22 3.278 5.266 -5.173 1.00 0.00 C ATOM 323 OD1 ASN A 22 3.845 4.572 -6.012 1.00 0.00 O ATOM 324 ND2 ASN A 22 3.864 5.627 -4.037 1.00 0.00 N ATOM 0 H ASN A 22 2.455 7.848 -4.105 1.00 0.00 H new ATOM 0 HA ASN A 22 2.111 7.173 -6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.313 5.672 -4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.336 5.043 -6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.818 5.327 -3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.360 6.205 -3.364 1.00 0.00 H new ATOM 331 N GLY A 23 -0.194 8.265 -4.903 1.00 0.00 N ATOM 332 CA GLY A 23 -1.481 8.946 -4.849 1.00 0.00 C ATOM 333 C GLY A 23 -2.264 8.696 -3.557 1.00 0.00 C ATOM 334 O GLY A 23 -3.468 8.941 -3.519 1.00 0.00 O ATOM 0 H GLY A 23 0.342 8.353 -4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.318 10.018 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.086 8.625 -5.697 1.00 0.00 H new ATOM 338 N VAL A 24 -1.611 8.208 -2.498 1.00 0.00 N ATOM 339 CA VAL A 24 -2.246 7.834 -1.240 1.00 0.00 C ATOM 340 C VAL A 24 -1.711 8.730 -0.128 1.00 0.00 C ATOM 341 O VAL A 24 -0.543 8.657 0.228 1.00 0.00 O ATOM 342 CB VAL A 24 -1.952 6.353 -0.985 1.00 0.00 C ATOM 343 CG1 VAL A 24 -2.298 5.916 0.433 1.00 0.00 C ATOM 344 CG2 VAL A 24 -2.770 5.495 -1.954 1.00 0.00 C ATOM 0 H VAL A 24 -0.602 8.060 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.327 7.970 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.880 6.218 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.068 4.857 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.714 6.498 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.360 6.080 0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.561 4.441 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.832 5.686 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.500 5.747 -2.980 1.00 0.00 H new ATOM 354 N ASN A 25 -2.560 9.593 0.421 1.00 0.00 N ATOM 355 CA ASN A 25 -2.157 10.542 1.452 1.00 0.00 C ATOM 356 C ASN A 25 -1.719 9.817 2.730 1.00 0.00 C ATOM 357 O ASN A 25 -2.145 8.685 2.965 1.00 0.00 O ATOM 358 CB ASN A 25 -3.325 11.494 1.747 1.00 0.00 C ATOM 359 CG ASN A 25 -3.372 12.658 0.764 1.00 0.00 C ATOM 360 OD1 ASN A 25 -3.193 13.808 1.146 1.00 0.00 O ATOM 361 ND2 ASN A 25 -3.596 12.375 -0.517 1.00 0.00 N ATOM 0 H ASN A 25 -3.545 9.654 0.164 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.303 11.114 1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.264 10.942 1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.231 11.880 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.622 13.125 -1.208 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.742 11.408 -0.808 1.00 0.00 H new ATOM 368 N PRO A 26 -0.897 10.448 3.582 1.00 0.00 N ATOM 369 CA PRO A 26 -0.604 9.902 4.891 1.00 0.00 C ATOM 370 C PRO A 26 -1.880 9.749 5.712 1.00 0.00 C ATOM 371 O PRO A 26 -2.856 10.478 5.536 1.00 0.00 O ATOM 372 CB PRO A 26 0.410 10.835 5.547 1.00 0.00 C ATOM 373 CG PRO A 26 0.298 12.139 4.761 1.00 0.00 C ATOM 374 CD PRO A 26 -0.242 11.730 3.388 1.00 0.00 C ATOM 0 HA PRO A 26 -0.181 8.900 4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.184 10.988 6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.419 10.425 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.373 12.841 5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.267 12.631 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.943 12.473 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 26 0.565 11.650 2.659 1.00 0.00 H new ATOM 382 N GLY A 27 -1.859 8.756 6.593 1.00 0.00 N ATOM 383 CA GLY A 27 -2.968 8.336 7.422 1.00 0.00 C ATOM 384 C GLY A 27 -4.048 7.585 6.647 1.00 0.00 C ATOM 385 O GLY A 27 -5.145 7.429 7.177 1.00 0.00 O ATOM 0 H GLY A 27 -1.021 8.197 6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.594 7.697 8.222 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.412 9.212 7.895 1.00 0.00 H new ATOM 389 N THR A 28 -3.777 7.091 5.431 1.00 0.00 N ATOM 390 CA THR A 28 -4.784 6.362 4.694 1.00 0.00 C ATOM 391 C THR A 28 -4.673 4.895 5.061 1.00 0.00 C ATOM 392 O THR A 28 -3.648 4.262 4.801 1.00 0.00 O ATOM 393 CB THR A 28 -4.578 6.574 3.194 1.00 0.00 C ATOM 394 OG1 THR A 28 -4.724 7.936 2.861 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.620 5.797 2.408 1.00 0.00 C ATOM 0 H THR A 28 -2.880 7.187 4.954 1.00 0.00 H new ATOM 0 HA THR A 28 -5.782 6.720 4.947 1.00 0.00 H new ATOM 0 HB THR A 28 -3.573 6.231 2.947 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.901 8.418 3.086 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.464 5.955 1.341 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.529 4.735 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.616 6.143 2.684 1.00 0.00 H new ATOM 403 N ASP A 29 -5.744 4.354 5.636 1.00 0.00 N ATOM 404 CA ASP A 29 -5.868 2.934 5.869 1.00 0.00 C ATOM 405 C ASP A 29 -5.786 2.204 4.543 1.00 0.00 C ATOM 406 O ASP A 29 -6.474 2.571 3.595 1.00 0.00 O ATOM 407 CB ASP A 29 -7.205 2.620 6.534 1.00 0.00 C ATOM 408 CG ASP A 29 -7.221 1.224 7.130 1.00 0.00 C ATOM 409 OD1 ASP A 29 -6.659 0.304 6.497 1.00 0.00 O ATOM 410 OD2 ASP A 29 -7.665 1.066 8.290 1.00 0.00 O ATOM 0 H ASP A 29 -6.548 4.897 5.951 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.061 2.610 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.403 3.352 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.007 2.712 5.801 1.00 0.00 H new ATOM 415 N PHE A 30 -4.997 1.137 4.505 1.00 0.00 N ATOM 416 CA PHE A 30 -4.958 0.208 3.394 1.00 0.00 C ATOM 417 C PHE A 30 -6.352 -0.144 2.868 1.00 0.00 C ATOM 418 O PHE A 30 -6.540 -0.318 1.660 1.00 0.00 O ATOM 419 CB PHE A 30 -4.227 -1.058 3.826 1.00 0.00 C ATOM 420 CG PHE A 30 -3.465 -1.699 2.695 1.00 0.00 C ATOM 421 CD1 PHE A 30 -4.139 -2.319 1.630 1.00 0.00 C ATOM 422 CD2 PHE A 30 -2.071 -1.558 2.651 1.00 0.00 C ATOM 423 CE1 PHE A 30 -3.409 -2.805 0.535 1.00 0.00 C ATOM 424 CE2 PHE A 30 -1.342 -2.091 1.584 1.00 0.00 C ATOM 425 CZ PHE A 30 -2.013 -2.691 0.520 1.00 0.00 C ATOM 0 H PHE A 30 -4.357 0.893 5.261 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.427 0.694 2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.537 -0.817 4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.948 -1.772 4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.214 -2.421 1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.558 -1.035 3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.923 -3.266 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.263 -2.038 1.584 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.453 -3.071 -0.322 1.00 0.00 H new ATOM 435 N LYS A 31 -7.346 -0.270 3.752 1.00 0.00 N ATOM 436 CA LYS A 31 -8.665 -0.628 3.252 1.00 0.00 C ATOM 437 C LYS A 31 -9.256 0.528 2.435 1.00 0.00 C ATOM 438 O LYS A 31 -9.894 0.303 1.411 1.00 0.00 O ATOM 439 CB LYS A 31 -9.559 -1.117 4.384 1.00 0.00 C ATOM 440 CG LYS A 31 -9.960 0.068 5.243 1.00 0.00 C ATOM 441 CD LYS A 31 -10.617 -0.403 6.529 1.00 0.00 C ATOM 442 CE LYS A 31 -11.045 0.845 7.312 1.00 0.00 C ATOM 443 NZ LYS A 31 -11.626 0.504 8.621 1.00 0.00 N ATOM 0 H LYS A 31 -7.268 -0.137 4.760 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.583 -1.470 2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.445 -1.606 3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.033 -1.858 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.081 0.669 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.647 0.709 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.479 -1.033 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.923 -1.005 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.182 1.495 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.773 1.407 6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.901 1.376 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.465 -0.095 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.923 -0.010 9.190 1.00 0.00 H new ATOM 457 N ASP A 32 -9.009 1.759 2.891 1.00 0.00 N ATOM 458 CA ASP A 32 -9.523 2.990 2.317 1.00 0.00 C ATOM 459 C ASP A 32 -8.741 3.359 1.055 1.00 0.00 C ATOM 460 O ASP A 32 -9.222 4.166 0.261 1.00 0.00 O ATOM 461 CB ASP A 32 -9.456 4.128 3.354 1.00 0.00 C ATOM 462 CG ASP A 32 -10.480 3.999 4.479 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.369 3.030 5.262 1.00 0.00 O ATOM 464 OD2 ASP A 32 -11.357 4.885 4.558 1.00 0.00 O ATOM 0 H ASP A 32 -8.419 1.924 3.706 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.566 2.839 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.456 4.154 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.608 5.080 2.845 1.00 0.00 H new ATOM 469 N ILE A 33 -7.544 2.793 0.836 1.00 0.00 N ATOM 470 CA ILE A 33 -6.815 2.998 -0.392 1.00 0.00 C ATOM 471 C ILE A 33 -7.715 2.586 -1.556 1.00 0.00 C ATOM 472 O ILE A 33 -8.282 1.492 -1.508 1.00 0.00 O ATOM 473 CB ILE A 33 -5.565 2.129 -0.360 1.00 0.00 C ATOM 474 CG1 ILE A 33 -4.637 2.598 0.750 1.00 0.00 C ATOM 475 CG2 ILE A 33 -4.795 2.122 -1.661 1.00 0.00 C ATOM 476 CD1 ILE A 33 -3.268 1.926 0.711 1.00 0.00 C ATOM 0 H ILE A 33 -7.071 2.189 1.508 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.524 4.042 -0.509 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.913 1.111 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.507 3.678 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.105 2.400 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.918 1.482 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.433 1.742 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.478 3.137 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.654 2.304 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.389 0.848 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.782 2.146 -0.240 1.00 0.00 H new ATOM 488 N PRO A 34 -7.808 3.398 -2.612 1.00 0.00 N ATOM 489 CA PRO A 34 -8.569 3.037 -3.786 1.00 0.00 C ATOM 490 C PRO A 34 -7.947 1.802 -4.418 1.00 0.00 C ATOM 491 O PRO A 34 -6.732 1.726 -4.563 1.00 0.00 O ATOM 492 CB PRO A 34 -8.490 4.228 -4.740 1.00 0.00 C ATOM 493 CG PRO A 34 -7.458 5.194 -4.136 1.00 0.00 C ATOM 494 CD PRO A 34 -6.971 4.553 -2.836 1.00 0.00 C ATOM 0 HA PRO A 34 -9.608 2.809 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.187 3.909 -5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.462 4.711 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.628 5.354 -4.824 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.906 6.169 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.923 4.264 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.047 5.254 -2.005 1.00 0.00 H new ATOM 502 N ASP A 35 -8.765 0.849 -4.842 1.00 0.00 N ATOM 503 CA ASP A 35 -8.287 -0.373 -5.448 1.00 0.00 C ATOM 504 C ASP A 35 -7.719 -0.126 -6.857 1.00 0.00 C ATOM 505 O ASP A 35 -7.129 -1.020 -7.455 1.00 0.00 O ATOM 506 CB ASP A 35 -9.433 -1.384 -5.375 1.00 0.00 C ATOM 507 CG ASP A 35 -9.463 -2.183 -4.067 1.00 0.00 C ATOM 508 OD1 ASP A 35 -8.886 -1.710 -3.056 1.00 0.00 O ATOM 509 OD2 ASP A 35 -10.079 -3.265 -4.085 1.00 0.00 O ATOM 0 H ASP A 35 -9.781 0.907 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.434 -0.787 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.380 -0.857 -5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.349 -2.077 -6.212 1.00 0.00 H new ATOM 514 N ASP A 36 -7.829 1.113 -7.349 1.00 0.00 N ATOM 515 CA ASP A 36 -7.104 1.621 -8.508 1.00 0.00 C ATOM 516 C ASP A 36 -5.602 1.787 -8.226 1.00 0.00 C ATOM 517 O ASP A 36 -4.788 1.845 -9.145 1.00 0.00 O ATOM 518 CB ASP A 36 -7.737 2.933 -8.975 1.00 0.00 C ATOM 519 CG ASP A 36 -8.362 2.851 -10.364 1.00 0.00 C ATOM 520 OD1 ASP A 36 -7.607 2.571 -11.319 1.00 0.00 O ATOM 521 OD2 ASP A 36 -9.586 3.092 -10.444 1.00 0.00 O ATOM 0 H ASP A 36 -8.448 1.810 -6.934 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.183 0.886 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.502 3.232 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.977 3.714 -8.974 1.00 0.00 H new ATOM 526 N TRP A 37 -5.225 1.918 -6.950 1.00 0.00 N ATOM 527 CA TRP A 37 -3.849 2.162 -6.543 1.00 0.00 C ATOM 528 C TRP A 37 -2.981 0.921 -6.753 1.00 0.00 C ATOM 529 O TRP A 37 -3.456 -0.212 -6.673 1.00 0.00 O ATOM 530 CB TRP A 37 -3.821 2.588 -5.075 1.00 0.00 C ATOM 531 CG TRP A 37 -2.474 2.752 -4.446 1.00 0.00 C ATOM 532 CD1 TRP A 37 -1.672 3.838 -4.502 1.00 0.00 C ATOM 533 CD2 TRP A 37 -1.756 1.766 -3.653 1.00 0.00 C ATOM 534 NE1 TRP A 37 -0.561 3.623 -3.711 1.00 0.00 N ATOM 535 CE2 TRP A 37 -0.557 2.356 -3.166 1.00 0.00 C ATOM 536 CE3 TRP A 37 -2.005 0.423 -3.309 1.00 0.00 C ATOM 537 CZ2 TRP A 37 0.335 1.662 -2.338 1.00 0.00 C ATOM 538 CZ3 TRP A 37 -1.110 -0.291 -2.490 1.00 0.00 C ATOM 539 CH2 TRP A 37 0.048 0.331 -1.991 1.00 0.00 C ATOM 0 H TRP A 37 -5.877 1.856 -6.168 1.00 0.00 H new ATOM 0 HA TRP A 37 -3.440 2.960 -7.162 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.355 3.534 -4.986 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.379 1.851 -4.497 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.869 4.732 -5.075 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.169 4.317 -3.549 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.894 -0.066 -3.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.230 2.143 -1.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.314 -1.323 -2.244 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.717 -0.214 -1.341 1.00 0.00 H new ATOM 550 N VAL A 38 -1.687 1.158 -6.973 1.00 0.00 N ATOM 551 CA VAL A 38 -0.659 0.144 -7.184 1.00 0.00 C ATOM 552 C VAL A 38 0.491 0.412 -6.207 1.00 0.00 C ATOM 553 O VAL A 38 0.731 1.568 -5.861 1.00 0.00 O ATOM 554 CB VAL A 38 -0.224 0.162 -8.661 1.00 0.00 C ATOM 555 CG1 VAL A 38 0.944 -0.793 -8.937 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.403 -0.239 -9.560 1.00 0.00 C ATOM 0 H VAL A 38 -1.312 2.106 -7.010 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.033 -0.860 -6.982 1.00 0.00 H new ATOM 0 HB VAL A 38 0.103 1.178 -8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.213 -0.743 -9.992 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.802 -0.504 -8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.648 -1.812 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.087 -0.224 -10.603 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.736 -1.243 -9.297 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.224 0.465 -9.419 1.00 0.00 H new ATOM 566 N CYS A 39 1.158 -0.646 -5.725 1.00 0.00 N ATOM 567 CA CYS A 39 2.215 -0.521 -4.728 1.00 0.00 C ATOM 568 C CYS A 39 3.506 -0.004 -5.386 1.00 0.00 C ATOM 569 O CYS A 39 3.623 -0.024 -6.615 1.00 0.00 O ATOM 570 CB CYS A 39 2.328 -1.806 -3.922 1.00 0.00 C ATOM 571 SG CYS A 39 3.723 -2.875 -4.377 1.00 0.00 S ATOM 0 H CYS A 39 0.976 -1.606 -6.018 1.00 0.00 H new ATOM 0 HA CYS A 39 1.974 0.239 -3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.416 -1.549 -2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.403 -2.372 -4.036 1.00 0.00 H new ATOM 0 HG CYS A 39 3.486 -4.090 -3.981 1.00 0.00 H new ATOM 576 N PRO A 40 4.458 0.540 -4.610 1.00 0.00 N ATOM 577 CA PRO A 40 5.607 1.223 -5.172 1.00 0.00 C ATOM 578 C PRO A 40 6.513 0.236 -5.916 1.00 0.00 C ATOM 579 O PRO A 40 7.081 -0.666 -5.309 1.00 0.00 O ATOM 580 CB PRO A 40 6.306 1.899 -3.987 1.00 0.00 C ATOM 581 CG PRO A 40 5.895 1.047 -2.786 1.00 0.00 C ATOM 582 CD PRO A 40 4.487 0.585 -3.155 1.00 0.00 C ATOM 0 HA PRO A 40 5.326 1.967 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.388 1.913 -4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.986 2.934 -3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.570 0.204 -2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.901 1.624 -1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.272 -0.395 -2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.735 1.273 -2.769 1.00 0.00 H new ATOM 590 N LEU A 41 6.668 0.438 -7.230 1.00 0.00 N ATOM 591 CA LEU A 41 7.523 -0.355 -8.110 1.00 0.00 C ATOM 592 C LEU A 41 7.026 -1.801 -8.228 1.00 0.00 C ATOM 593 O LEU A 41 7.806 -2.740 -8.086 1.00 0.00 O ATOM 594 CB LEU A 41 9.002 -0.295 -7.681 1.00 0.00 C ATOM 595 CG LEU A 41 9.564 1.121 -7.488 1.00 0.00 C ATOM 596 CD1 LEU A 41 11.039 1.013 -7.082 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.444 1.958 -8.766 1.00 0.00 C ATOM 0 H LEU A 41 6.182 1.187 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 41 7.461 0.091 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.117 -0.846 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.603 -0.809 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 41 8.985 1.620 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.452 2.012 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.120 0.453 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.595 0.498 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.852 2.953 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.999 1.476 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.395 2.042 -9.049 1.00 0.00 H new ATOM 609 N CYS A 42 5.742 -1.972 -8.551 1.00 0.00 N ATOM 610 CA CYS A 42 5.104 -3.270 -8.716 1.00 0.00 C ATOM 611 C CYS A 42 4.104 -3.177 -9.868 1.00 0.00 C ATOM 612 O CYS A 42 3.989 -2.125 -10.498 1.00 0.00 O ATOM 613 CB CYS A 42 4.459 -3.633 -7.406 1.00 0.00 C ATOM 614 SG CYS A 42 4.101 -5.403 -7.226 1.00 0.00 S ATOM 0 H CYS A 42 5.106 -1.190 -8.708 1.00 0.00 H new ATOM 0 HA CYS A 42 5.816 -4.055 -8.970 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.113 -3.320 -6.592 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.530 -3.072 -7.302 1.00 0.00 H new ATOM 0 HG CYS A 42 4.952 -5.936 -6.401 1.00 0.00 H new ATOM 619 N GLY A 43 3.410 -4.279 -10.161 1.00 0.00 N ATOM 620 CA GLY A 43 2.483 -4.397 -11.276 1.00 0.00 C ATOM 621 C GLY A 43 1.036 -4.413 -10.792 1.00 0.00 C ATOM 622 O GLY A 43 0.268 -3.502 -11.094 1.00 0.00 O ATOM 0 H GLY A 43 3.483 -5.135 -9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.630 -3.564 -11.964 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.693 -5.311 -11.832 1.00 0.00 H new ATOM 626 N VAL A 44 0.650 -5.477 -10.081 1.00 0.00 N ATOM 627 CA VAL A 44 -0.709 -5.621 -9.573 1.00 0.00 C ATOM 628 C VAL A 44 -0.943 -4.655 -8.406 1.00 0.00 C ATOM 629 O VAL A 44 0.007 -4.096 -7.858 1.00 0.00 O ATOM 630 CB VAL A 44 -1.017 -7.085 -9.217 1.00 0.00 C ATOM 631 CG1 VAL A 44 -0.826 -7.994 -10.437 1.00 0.00 C ATOM 632 CG2 VAL A 44 -0.189 -7.604 -8.034 1.00 0.00 C ATOM 0 H VAL A 44 1.268 -6.254 -9.845 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.415 -5.349 -10.358 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.062 -7.110 -8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.049 -9.025 -10.161 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.498 -7.678 -11.235 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.205 -7.926 -10.783 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.453 -8.642 -7.833 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.872 -7.540 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.397 -6.999 -7.151 1.00 0.00 H new ATOM 642 N GLY A 45 -2.209 -4.430 -8.051 1.00 0.00 N ATOM 643 CA GLY A 45 -2.596 -3.404 -7.101 1.00 0.00 C ATOM 644 C GLY A 45 -3.334 -4.020 -5.930 1.00 0.00 C ATOM 645 O GLY A 45 -4.453 -4.506 -6.069 1.00 0.00 O ATOM 0 H GLY A 45 -2.996 -4.963 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.711 -2.877 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.231 -2.666 -7.592 1.00 0.00 H new ATOM 649 N LYS A 46 -2.706 -3.938 -4.759 1.00 0.00 N ATOM 650 CA LYS A 46 -3.216 -4.429 -3.499 1.00 0.00 C ATOM 651 C LYS A 46 -3.407 -5.953 -3.556 1.00 0.00 C ATOM 652 O LYS A 46 -2.505 -6.686 -3.158 1.00 0.00 O ATOM 653 CB LYS A 46 -4.486 -3.652 -3.129 1.00 0.00 C ATOM 654 CG LYS A 46 -4.309 -2.136 -3.076 1.00 0.00 C ATOM 655 CD LYS A 46 -5.644 -1.446 -2.772 1.00 0.00 C ATOM 656 CE LYS A 46 -6.014 -1.495 -1.288 1.00 0.00 C ATOM 657 NZ LYS A 46 -7.386 -0.986 -1.048 1.00 0.00 N ATOM 0 H LYS A 46 -1.786 -3.506 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.497 -4.255 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.265 -3.889 -3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.838 -3.998 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.577 -1.877 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.916 -1.777 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.592 -0.406 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.434 -1.921 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.938 -2.521 -0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.301 -0.902 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.583 -0.987 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.466 -0.016 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.073 -1.598 -1.533 1.00 0.00 H new ATOM 671 N ASP A 47 -4.580 -6.407 -4.007 1.00 0.00 N ATOM 672 CA ASP A 47 -5.088 -7.782 -4.023 1.00 0.00 C ATOM 673 C ASP A 47 -4.905 -8.539 -2.699 1.00 0.00 C ATOM 674 O ASP A 47 -5.881 -8.792 -1.995 1.00 0.00 O ATOM 675 CB ASP A 47 -4.553 -8.596 -5.214 1.00 0.00 C ATOM 676 CG ASP A 47 -4.655 -7.863 -6.545 1.00 0.00 C ATOM 677 OD1 ASP A 47 -5.774 -7.866 -7.102 1.00 0.00 O ATOM 678 OD2 ASP A 47 -3.610 -7.340 -6.992 1.00 0.00 O ATOM 0 H ASP A 47 -5.261 -5.762 -4.407 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.164 -7.671 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.510 -8.853 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.106 -9.533 -5.281 1.00 0.00 H new ATOM 683 N GLN A 48 -3.669 -8.925 -2.372 1.00 0.00 N ATOM 684 CA GLN A 48 -3.299 -9.716 -1.206 1.00 0.00 C ATOM 685 C GLN A 48 -2.180 -8.994 -0.451 1.00 0.00 C ATOM 686 O GLN A 48 -1.095 -8.792 -0.988 1.00 0.00 O ATOM 687 CB GLN A 48 -2.877 -11.116 -1.668 1.00 0.00 C ATOM 688 CG GLN A 48 -2.486 -12.021 -0.493 1.00 0.00 C ATOM 689 CD GLN A 48 -2.283 -13.463 -0.951 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.596 -13.723 -1.932 1.00 0.00 O ATOM 691 NE2 GLN A 48 -2.889 -14.421 -0.255 1.00 0.00 N ATOM 0 H GLN A 48 -2.862 -8.679 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.142 -9.830 -0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.695 -11.576 -2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.035 -11.032 -2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.570 -11.650 -0.034 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.262 -11.985 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.456 -14.180 0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.787 -15.397 -0.534 1.00 0.00 H new ATOM 700 N PHE A 49 -2.464 -8.592 0.788 1.00 0.00 N ATOM 701 CA PHE A 49 -1.614 -7.746 1.610 1.00 0.00 C ATOM 702 C PHE A 49 -1.869 -8.128 3.072 1.00 0.00 C ATOM 703 O PHE A 49 -2.969 -7.926 3.581 1.00 0.00 O ATOM 704 CB PHE A 49 -1.941 -6.267 1.328 1.00 0.00 C ATOM 705 CG PHE A 49 -3.424 -5.950 1.167 1.00 0.00 C ATOM 706 CD1 PHE A 49 -4.050 -6.148 -0.077 1.00 0.00 C ATOM 707 CD2 PHE A 49 -4.189 -5.499 2.256 1.00 0.00 C ATOM 708 CE1 PHE A 49 -5.429 -5.922 -0.225 1.00 0.00 C ATOM 709 CE2 PHE A 49 -5.565 -5.256 2.109 1.00 0.00 C ATOM 710 CZ PHE A 49 -6.185 -5.460 0.865 1.00 0.00 C ATOM 0 H PHE A 49 -3.327 -8.860 1.260 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.557 -7.887 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.543 -5.662 2.142 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.420 -5.963 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.467 -6.476 -0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.716 -5.338 3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.907 -6.103 -1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.146 -4.912 2.952 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.240 -5.262 0.747 1.00 0.00 H new ATOM 720 N GLU A 50 -0.877 -8.713 3.742 1.00 0.00 N ATOM 721 CA GLU A 50 -0.974 -9.073 5.149 1.00 0.00 C ATOM 722 C GLU A 50 -0.662 -7.851 5.998 1.00 0.00 C ATOM 723 O GLU A 50 0.182 -7.049 5.618 1.00 0.00 O ATOM 724 CB GLU A 50 0.025 -10.183 5.473 1.00 0.00 C ATOM 725 CG GLU A 50 -0.500 -11.543 5.000 1.00 0.00 C ATOM 726 CD GLU A 50 0.477 -12.657 5.343 1.00 0.00 C ATOM 727 OE1 GLU A 50 1.574 -12.642 4.746 1.00 0.00 O ATOM 728 OE2 GLU A 50 0.110 -13.492 6.197 1.00 0.00 O ATOM 0 H GLU A 50 0.020 -8.950 3.318 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.983 -9.427 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.980 -9.970 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.207 -10.212 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.465 -11.745 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.664 -11.518 3.923 1.00 0.00 H new ATOM 735 N GLU A 51 -1.315 -7.706 7.149 1.00 0.00 N ATOM 736 CA GLU A 51 -1.039 -6.635 8.081 1.00 0.00 C ATOM 737 C GLU A 51 0.310 -6.910 8.748 1.00 0.00 C ATOM 738 O GLU A 51 0.610 -8.045 9.115 1.00 0.00 O ATOM 739 CB GLU A 51 -2.215 -6.583 9.067 1.00 0.00 C ATOM 740 CG GLU A 51 -1.962 -5.665 10.258 1.00 0.00 C ATOM 741 CD GLU A 51 -3.212 -5.496 11.118 1.00 0.00 C ATOM 742 OE1 GLU A 51 -3.961 -6.488 11.243 1.00 0.00 O ATOM 743 OE2 GLU A 51 -3.408 -4.376 11.638 1.00 0.00 O ATOM 0 H GLU A 51 -2.055 -8.338 7.456 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.957 -5.659 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.108 -6.246 8.540 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.421 -7.590 9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.155 -6.073 10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.631 -4.690 9.901 1.00 0.00 H new ATOM 750 N VAL A 52 1.129 -5.869 8.879 1.00 0.00 N ATOM 751 CA VAL A 52 2.416 -5.875 9.521 1.00 0.00 C ATOM 752 C VAL A 52 2.214 -5.240 10.893 1.00 0.00 C ATOM 753 O VAL A 52 2.069 -4.021 11.010 1.00 0.00 O ATOM 754 CB VAL A 52 3.384 -5.085 8.631 1.00 0.00 C ATOM 755 CG1 VAL A 52 4.664 -4.733 9.383 1.00 0.00 C ATOM 756 CG2 VAL A 52 3.740 -5.875 7.378 1.00 0.00 C ATOM 0 H VAL A 52 0.885 -4.949 8.513 1.00 0.00 H new ATOM 0 HA VAL A 52 2.838 -6.871 9.656 1.00 0.00 H new ATOM 0 HB VAL A 52 2.877 -4.164 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.330 -4.174 8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.419 -4.125 10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.159 -5.648 9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.427 -5.293 6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.214 -6.814 7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.834 -6.084 6.810 1.00 0.00 H new ATOM 766 N GLU A 53 2.195 -6.075 11.930 1.00 0.00 N ATOM 767 CA GLU A 53 2.178 -5.653 13.305 1.00 0.00 C ATOM 768 C GLU A 53 3.599 -5.228 13.720 1.00 0.00 C ATOM 769 O GLU A 53 4.416 -6.002 14.213 1.00 0.00 O ATOM 770 CB GLU A 53 1.545 -6.777 14.132 1.00 0.00 C ATOM 771 CG GLU A 53 2.392 -8.046 14.214 1.00 0.00 C ATOM 772 CD GLU A 53 1.583 -9.230 14.723 1.00 0.00 C ATOM 773 OE1 GLU A 53 1.238 -9.204 15.924 1.00 0.00 O ATOM 774 OE2 GLU A 53 1.312 -10.128 13.898 1.00 0.00 O ATOM 0 H GLU A 53 2.191 -7.089 11.820 1.00 0.00 H new ATOM 0 HA GLU A 53 1.564 -4.769 13.478 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.361 -6.411 15.142 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.575 -7.028 13.702 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.796 -8.278 13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.242 -7.875 14.875 1.00 0.00 H new ATOM 781 N GLU A 54 3.893 -3.959 13.492 1.00 0.00 N ATOM 782 CA GLU A 54 4.949 -3.219 14.165 1.00 0.00 C ATOM 783 C GLU A 54 4.302 -1.941 14.709 1.00 0.00 C ATOM 784 O GLU A 54 3.145 -1.674 14.296 1.00 0.00 O ATOM 785 CB GLU A 54 6.155 -2.972 13.234 1.00 0.00 C ATOM 786 CG GLU A 54 5.861 -1.969 12.115 1.00 0.00 C ATOM 787 CD GLU A 54 7.022 -1.766 11.151 1.00 0.00 C ATOM 788 OE1 GLU A 54 7.110 -2.525 10.159 1.00 0.00 O ATOM 789 OE2 GLU A 54 7.676 -0.701 11.209 1.00 0.00 O ATOM 790 OXT GLU A 54 4.950 -1.277 15.546 1.00 0.00 O ATOM 0 H GLU A 54 3.386 -3.396 12.810 1.00 0.00 H new ATOM 0 HA GLU A 54 5.376 -3.784 14.993 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.994 -2.609 13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.464 -3.919 12.792 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.991 -2.309 11.554 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.598 -1.009 12.560 1.00 0.00 H new