USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 258 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 ALA N :NH3+ -113:sc= 0.113 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 2.23 (180deg=2.23) USER MOD Single : A 19 GLN : amide:sc= 0.393 K(o=0.39,f=-5.9!) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= 0.785 (180deg=0.556) USER MOD Single : A 23 ASN : amide:sc= 0.405 K(o=0.4,f=-3.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -121:sc= 0 (180deg=-0.0367) USER MOD Single : A 28 ASN : amide:sc= 1.33 K(o=1.3,f=-6.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.348 -4.350 7.378 1.00 0.00 N ATOM 2 CA ALA A 1 3.157 -3.990 6.584 1.00 0.00 C ATOM 3 C ALA A 1 1.944 -4.825 6.995 1.00 0.00 C ATOM 4 O ALA A 1 2.106 -5.828 7.692 1.00 0.00 O ATOM 5 CB ALA A 1 3.448 -4.137 5.082 1.00 0.00 C ATOM 0 H1 ALA A 1 4.613 -3.551 7.988 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.134 -5.180 7.968 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.137 -4.574 6.738 1.00 0.00 H new ATOM 0 HA ALA A 1 2.918 -2.946 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.559 -3.868 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.271 -3.478 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.720 -5.170 4.864 1.00 0.00 H new ATOM 13 N ALA A 2 0.739 -4.452 6.548 1.00 0.00 N ATOM 14 CA ALA A 2 -0.517 -5.160 6.791 1.00 0.00 C ATOM 15 C ALA A 2 -1.497 -4.873 5.636 1.00 0.00 C ATOM 16 O ALA A 2 -1.218 -4.016 4.794 1.00 0.00 O ATOM 17 CB ALA A 2 -1.079 -4.680 8.138 1.00 0.00 C ATOM 0 H ALA A 2 0.610 -3.612 5.983 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.361 -6.238 6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.018 -5.194 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.363 -4.900 8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.255 -3.605 8.097 1.00 0.00 H new ATOM 23 N ALA A 3 -2.679 -5.496 5.628 1.00 0.00 N ATOM 24 CA ALA A 3 -3.733 -5.121 4.687 1.00 0.00 C ATOM 25 C ALA A 3 -4.494 -3.888 5.189 1.00 0.00 C ATOM 26 O ALA A 3 -5.228 -3.927 6.183 1.00 0.00 O ATOM 27 CB ALA A 3 -4.660 -6.295 4.425 1.00 0.00 C ATOM 0 H ALA A 3 -2.927 -6.258 6.259 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.274 -4.852 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.437 -5.995 3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.089 -7.122 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.120 -6.612 5.361 1.00 0.00 H new ATOM 33 N ILE A 4 -4.321 -2.794 4.461 1.00 0.00 N ATOM 34 CA ILE A 4 -4.735 -1.430 4.782 1.00 0.00 C ATOM 35 C ILE A 4 -5.983 -1.017 4.005 1.00 0.00 C ATOM 36 O ILE A 4 -6.324 -1.637 2.998 1.00 0.00 O ATOM 37 CB ILE A 4 -3.558 -0.491 4.438 1.00 0.00 C ATOM 38 CG1 ILE A 4 -3.073 -0.735 2.983 1.00 0.00 C ATOM 39 CG2 ILE A 4 -2.425 -0.736 5.448 1.00 0.00 C ATOM 40 CD1 ILE A 4 -2.258 0.391 2.363 1.00 0.00 C ATOM 0 H ILE A 4 -3.850 -2.838 3.557 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.989 -1.369 5.840 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.881 0.548 4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.473 -1.645 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.945 -0.917 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.585 -0.080 5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.784 -0.527 6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.101 -1.775 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.971 0.116 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.856 1.302 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.362 0.562 2.959 1.00 0.00 H new ATOM 52 N SER A 5 -6.596 0.090 4.412 1.00 0.00 N ATOM 53 CA SER A 5 -7.636 0.750 3.621 1.00 0.00 C ATOM 54 C SER A 5 -6.992 1.359 2.372 1.00 0.00 C ATOM 55 O SER A 5 -6.201 2.302 2.468 1.00 0.00 O ATOM 56 CB SER A 5 -8.339 1.845 4.432 1.00 0.00 C ATOM 57 OG SER A 5 -9.056 1.293 5.523 1.00 0.00 O ATOM 0 H SER A 5 -6.389 0.556 5.296 1.00 0.00 H new ATOM 0 HA SER A 5 -8.387 0.012 3.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.602 2.558 4.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.022 2.398 3.787 1.00 0.00 H new ATOM 0 HG SER A 5 -9.493 2.012 6.025 1.00 0.00 H new ATOM 63 N CYS A 6 -7.292 0.827 1.188 1.00 0.00 N ATOM 64 CA CYS A 6 -6.738 1.336 -0.067 1.00 0.00 C ATOM 65 C CYS A 6 -7.117 2.807 -0.327 1.00 0.00 C ATOM 66 O CYS A 6 -6.229 3.611 -0.612 1.00 0.00 O ATOM 67 CB CYS A 6 -7.171 0.433 -1.219 1.00 0.00 C ATOM 68 SG CYS A 6 -6.622 1.017 -2.850 1.00 0.00 S ATOM 0 H CYS A 6 -7.923 0.034 1.071 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.651 1.318 0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.778 -0.570 -1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.258 0.354 -1.218 1.00 0.00 H new ATOM 73 N VAL A 7 -8.388 3.200 -0.163 1.00 0.00 N ATOM 74 CA VAL A 7 -8.830 4.562 -0.521 1.00 0.00 C ATOM 75 C VAL A 7 -8.200 5.646 0.345 1.00 0.00 C ATOM 76 O VAL A 7 -7.866 6.707 -0.186 1.00 0.00 O ATOM 77 CB VAL A 7 -10.356 4.727 -0.510 1.00 0.00 C ATOM 78 CG1 VAL A 7 -11.027 3.692 -1.421 1.00 0.00 C ATOM 79 CG2 VAL A 7 -11.020 4.706 0.873 1.00 0.00 C ATOM 0 H VAL A 7 -9.125 2.603 0.212 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.478 4.692 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.513 5.736 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.108 3.831 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.669 3.820 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.782 2.688 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.097 4.831 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.813 3.754 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.622 5.519 1.480 1.00 0.00 H new ATOM 89 N GLY A 8 -8.034 5.350 1.643 1.00 0.00 N ATOM 90 CA GLY A 8 -7.279 6.089 2.659 1.00 0.00 C ATOM 91 C GLY A 8 -6.973 7.538 2.312 1.00 0.00 C ATOM 92 O GLY A 8 -7.829 8.421 2.428 1.00 0.00 O ATOM 0 H GLY A 8 -8.463 4.514 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.840 6.067 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.338 5.569 2.839 1.00 0.00 H new ATOM 96 N SER A 9 -5.738 7.743 1.855 1.00 0.00 N ATOM 97 CA SER A 9 -5.277 8.982 1.226 1.00 0.00 C ATOM 98 C SER A 9 -4.454 8.636 -0.024 1.00 0.00 C ATOM 99 O SER A 9 -4.953 8.870 -1.131 1.00 0.00 O ATOM 100 CB SER A 9 -4.572 9.876 2.246 1.00 0.00 C ATOM 101 OG SER A 9 -3.903 10.923 1.571 1.00 0.00 O ATOM 0 H SER A 9 -5.009 7.032 1.913 1.00 0.00 H new ATOM 0 HA SER A 9 -6.118 9.582 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.297 10.287 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.860 9.291 2.828 1.00 0.00 H new ATOM 0 HG SER A 9 -3.452 11.498 2.224 1.00 0.00 H new ATOM 107 N PRO A 10 -3.276 7.986 0.089 1.00 0.00 N ATOM 108 CA PRO A 10 -2.569 7.391 -1.048 1.00 0.00 C ATOM 109 C PRO A 10 -3.207 6.039 -1.411 1.00 0.00 C ATOM 110 O PRO A 10 -4.107 5.569 -0.713 1.00 0.00 O ATOM 111 CB PRO A 10 -1.142 7.184 -0.544 1.00 0.00 C ATOM 112 CG PRO A 10 -1.419 6.735 0.884 1.00 0.00 C ATOM 113 CD PRO A 10 -2.543 7.676 1.311 1.00 0.00 C ATOM 0 HA PRO A 10 -2.607 8.015 -1.941 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.604 6.431 -1.119 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.551 8.099 -0.584 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.725 5.690 0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.540 6.837 1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.192 7.203 2.049 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.144 8.581 1.770 1.00 0.00 H new ATOM 121 N GLU A 11 -2.712 5.356 -2.440 1.00 0.00 N ATOM 122 CA GLU A 11 -3.083 4.007 -2.812 1.00 0.00 C ATOM 123 C GLU A 11 -2.464 2.921 -1.898 1.00 0.00 C ATOM 124 O GLU A 11 -3.123 2.434 -0.978 1.00 0.00 O ATOM 125 CB GLU A 11 -2.696 3.860 -4.293 1.00 0.00 C ATOM 126 CG GLU A 11 -3.302 2.602 -4.871 1.00 0.00 C ATOM 127 CD GLU A 11 -2.821 2.368 -6.303 1.00 0.00 C ATOM 128 OE1 GLU A 11 -1.660 1.928 -6.493 1.00 0.00 O ATOM 129 OE2 GLU A 11 -3.599 2.591 -7.258 1.00 0.00 O ATOM 0 H GLU A 11 -2.008 5.753 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.153 3.848 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.041 4.729 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.611 3.827 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.035 1.747 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.389 2.679 -4.857 1.00 0.00 H new ATOM 136 N CYS A 12 -1.189 2.570 -2.101 1.00 0.00 N ATOM 137 CA CYS A 12 -0.575 1.372 -1.506 1.00 0.00 C ATOM 138 C CYS A 12 0.802 1.584 -0.838 1.00 0.00 C ATOM 139 O CYS A 12 0.842 1.680 0.392 1.00 0.00 O ATOM 140 CB CYS A 12 -0.565 0.242 -2.553 1.00 0.00 C ATOM 141 SG CYS A 12 -1.995 -0.858 -2.584 1.00 0.00 S ATOM 0 H CYS A 12 -0.550 3.109 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.200 1.089 -0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.464 0.695 -3.539 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.326 -0.365 -2.388 1.00 0.00 H new ATOM 146 N PRO A 13 1.940 1.672 -1.567 1.00 0.00 N ATOM 147 CA PRO A 13 3.275 1.601 -0.968 1.00 0.00 C ATOM 148 C PRO A 13 3.601 2.592 0.173 1.00 0.00 C ATOM 149 O PRO A 13 4.202 2.132 1.148 1.00 0.00 O ATOM 150 CB PRO A 13 4.282 1.673 -2.122 1.00 0.00 C ATOM 151 CG PRO A 13 3.487 2.176 -3.325 1.00 0.00 C ATOM 152 CD PRO A 13 2.040 1.807 -3.013 1.00 0.00 C ATOM 0 HA PRO A 13 3.331 0.657 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.104 2.348 -1.884 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.720 0.695 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.602 3.252 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.826 1.706 -4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.358 2.576 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.764 0.876 -3.508 1.00 0.00 H new ATOM 160 N PRO A 14 3.188 3.877 0.165 1.00 0.00 N ATOM 161 CA PRO A 14 3.498 4.814 1.253 1.00 0.00 C ATOM 162 C PRO A 14 2.616 4.614 2.504 1.00 0.00 C ATOM 163 O PRO A 14 2.915 5.192 3.553 1.00 0.00 O ATOM 164 CB PRO A 14 3.318 6.203 0.637 1.00 0.00 C ATOM 165 CG PRO A 14 2.174 5.973 -0.341 1.00 0.00 C ATOM 166 CD PRO A 14 2.456 4.576 -0.886 1.00 0.00 C ATOM 0 HA PRO A 14 4.510 4.656 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.068 6.952 1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.222 6.546 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.204 6.024 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.166 6.721 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.529 4.057 -1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.042 4.626 -1.804 1.00 0.00 H new ATOM 174 N LYS A 15 1.557 3.789 2.403 1.00 0.00 N ATOM 175 CA LYS A 15 0.650 3.374 3.493 1.00 0.00 C ATOM 176 C LYS A 15 0.926 1.939 3.972 1.00 0.00 C ATOM 177 O LYS A 15 0.694 1.622 5.136 1.00 0.00 O ATOM 178 CB LYS A 15 -0.802 3.578 3.019 1.00 0.00 C ATOM 179 CG LYS A 15 -1.842 3.500 4.157 1.00 0.00 C ATOM 180 CD LYS A 15 -3.328 3.585 3.764 1.00 0.00 C ATOM 181 CE LYS A 15 -3.649 4.475 2.557 1.00 0.00 C ATOM 182 NZ LYS A 15 -4.000 3.701 1.338 1.00 0.00 N ATOM 0 H LYS A 15 1.296 3.370 1.510 1.00 0.00 H new ATOM 0 HA LYS A 15 0.828 3.996 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.883 4.549 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.040 2.824 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.688 2.562 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.633 4.306 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.687 2.577 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.891 3.952 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.477 5.136 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.789 5.109 2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.206 4.357 0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.202 3.089 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.838 3.115 1.528 1.00 0.00 H new ATOM 196 N CYS A 16 1.486 1.082 3.110 1.00 0.00 N ATOM 197 CA CYS A 16 1.948 -0.267 3.461 1.00 0.00 C ATOM 198 C CYS A 16 2.898 -0.265 4.670 1.00 0.00 C ATOM 199 O CYS A 16 2.826 -1.175 5.488 1.00 0.00 O ATOM 200 CB CYS A 16 2.658 -0.891 2.248 1.00 0.00 C ATOM 201 SG CYS A 16 1.586 -1.689 1.029 1.00 0.00 S ATOM 0 H CYS A 16 1.634 1.312 2.127 1.00 0.00 H new ATOM 0 HA CYS A 16 1.073 -0.855 3.737 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.230 -0.111 1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.375 -1.628 2.610 1.00 0.00 H new ATOM 206 N ARG A 17 3.760 0.755 4.806 1.00 0.00 N ATOM 207 CA ARG A 17 4.578 1.014 5.999 1.00 0.00 C ATOM 208 C ARG A 17 4.940 2.493 6.138 1.00 0.00 C ATOM 209 O ARG A 17 4.871 3.241 5.163 1.00 0.00 O ATOM 210 CB ARG A 17 5.843 0.149 5.970 1.00 0.00 C ATOM 211 CG ARG A 17 6.847 0.595 4.895 1.00 0.00 C ATOM 212 CD ARG A 17 8.032 -0.355 4.733 1.00 0.00 C ATOM 213 NE ARG A 17 8.671 -0.645 6.025 1.00 0.00 N ATOM 214 CZ ARG A 17 9.690 -1.442 6.263 1.00 0.00 C ATOM 215 NH1 ARG A 17 10.456 -1.918 5.329 1.00 0.00 N ATOM 216 NH2 ARG A 17 9.928 -1.773 7.494 1.00 0.00 N ATOM 0 H ARG A 17 3.911 1.442 4.067 1.00 0.00 H new ATOM 0 HA ARG A 17 3.982 0.747 6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.324 0.185 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.563 -0.889 5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.329 0.682 3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.220 1.588 5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.694 -1.285 4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.763 0.086 4.055 1.00 0.00 H new ATOM 0 HE ARG A 17 8.276 -0.170 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.280 -1.677 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.233 -2.533 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.333 -1.417 8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.710 -2.389 7.714 1.00 0.00 H new ATOM 230 N ALA A 18 5.425 2.878 7.312 1.00 0.00 N ATOM 231 CA ALA A 18 5.696 4.261 7.703 1.00 0.00 C ATOM 232 C ALA A 18 6.742 4.957 6.811 1.00 0.00 C ATOM 233 O ALA A 18 6.525 6.071 6.337 1.00 0.00 O ATOM 234 CB ALA A 18 6.137 4.222 9.171 1.00 0.00 C ATOM 0 H ALA A 18 5.650 2.210 8.049 1.00 0.00 H new ATOM 0 HA ALA A 18 4.795 4.860 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.352 5.234 9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.339 3.795 9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.033 3.609 9.266 1.00 0.00 H new ATOM 240 N GLN A 19 7.845 4.266 6.528 1.00 0.00 N ATOM 241 CA GLN A 19 8.956 4.678 5.655 1.00 0.00 C ATOM 242 C GLN A 19 8.733 4.358 4.159 1.00 0.00 C ATOM 243 O GLN A 19 9.629 4.527 3.330 1.00 0.00 O ATOM 244 CB GLN A 19 10.269 4.098 6.193 1.00 0.00 C ATOM 245 CG GLN A 19 10.302 2.568 6.234 1.00 0.00 C ATOM 246 CD GLN A 19 9.722 1.982 7.517 1.00 0.00 C ATOM 247 OE1 GLN A 19 8.520 1.788 7.632 1.00 0.00 O ATOM 248 NE2 GLN A 19 10.525 1.679 8.508 1.00 0.00 N ATOM 0 H GLN A 19 8.002 3.340 6.927 1.00 0.00 H new ATOM 0 HA GLN A 19 9.010 5.766 5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.092 4.453 5.573 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.439 4.482 7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.746 2.177 5.382 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.333 2.231 6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.528 1.838 8.418 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.146 1.284 9.369 1.00 0.00 H new ATOM 257 N GLY A 20 7.543 3.859 3.817 1.00 0.00 N ATOM 258 CA GLY A 20 7.124 3.448 2.480 1.00 0.00 C ATOM 259 C GLY A 20 7.778 2.163 1.955 1.00 0.00 C ATOM 260 O GLY A 20 8.969 1.907 2.136 1.00 0.00 O ATOM 0 H GLY A 20 6.805 3.724 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.043 3.311 2.482 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.342 4.258 1.784 1.00 0.00 H new ATOM 264 N CYS A 21 6.948 1.326 1.335 1.00 0.00 N ATOM 265 CA CYS A 21 7.256 -0.015 0.840 1.00 0.00 C ATOM 266 C CYS A 21 7.920 0.011 -0.545 1.00 0.00 C ATOM 267 O CYS A 21 7.840 0.999 -1.272 1.00 0.00 O ATOM 268 CB CYS A 21 5.919 -0.757 0.781 1.00 0.00 C ATOM 269 SG CYS A 21 5.924 -2.545 0.505 1.00 0.00 S ATOM 0 H CYS A 21 5.978 1.584 1.153 1.00 0.00 H new ATOM 0 HA CYS A 21 7.971 -0.507 1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.396 -0.570 1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.324 -0.303 -0.012 1.00 0.00 H new ATOM 274 N LYS A 22 8.509 -1.121 -0.942 1.00 0.00 N ATOM 275 CA LYS A 22 9.163 -1.306 -2.251 1.00 0.00 C ATOM 276 C LYS A 22 8.158 -1.208 -3.407 1.00 0.00 C ATOM 277 O LYS A 22 8.366 -0.415 -4.325 1.00 0.00 O ATOM 278 CB LYS A 22 9.940 -2.636 -2.254 1.00 0.00 C ATOM 279 CG LYS A 22 11.037 -2.653 -1.173 1.00 0.00 C ATOM 280 CD LYS A 22 11.847 -3.954 -1.186 1.00 0.00 C ATOM 281 CE LYS A 22 12.812 -4.080 0.006 1.00 0.00 C ATOM 282 NZ LYS A 22 12.104 -4.131 1.310 1.00 0.00 N ATOM 0 H LYS A 22 8.548 -1.954 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 22 9.876 -0.497 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.249 -3.462 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.391 -2.792 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.708 -1.808 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.580 -2.522 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.161 -4.801 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.417 -4.010 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.414 -4.981 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.500 -3.235 0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.770 -4.417 2.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.718 -3.191 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.327 -4.820 1.256 1.00 0.00 H new ATOM 296 N ASN A 23 7.044 -1.945 -3.324 1.00 0.00 N ATOM 297 CA ASN A 23 5.892 -1.863 -4.235 1.00 0.00 C ATOM 298 C ASN A 23 4.609 -2.399 -3.550 1.00 0.00 C ATOM 299 O ASN A 23 4.681 -3.010 -2.478 1.00 0.00 O ATOM 300 CB ASN A 23 6.235 -2.638 -5.525 1.00 0.00 C ATOM 301 CG ASN A 23 5.329 -2.339 -6.704 1.00 0.00 C ATOM 302 OD1 ASN A 23 4.484 -1.456 -6.668 1.00 0.00 O ATOM 303 ND2 ASN A 23 5.497 -3.037 -7.794 1.00 0.00 N ATOM 0 H ASN A 23 6.913 -2.643 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 23 5.688 -0.824 -4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.263 -2.410 -5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.192 -3.706 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.923 -2.846 -8.616 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.202 -3.774 -7.824 1.00 0.00 H new ATOM 310 N GLY A 24 3.439 -2.186 -4.156 1.00 0.00 N ATOM 311 CA GLY A 24 2.138 -2.622 -3.633 1.00 0.00 C ATOM 312 C GLY A 24 0.966 -2.404 -4.607 1.00 0.00 C ATOM 313 O GLY A 24 0.938 -1.397 -5.326 1.00 0.00 O ATOM 0 H GLY A 24 3.366 -1.694 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.196 -3.681 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.932 -2.085 -2.707 1.00 0.00 H new ATOM 317 N LYS A 25 -0.010 -3.325 -4.576 1.00 0.00 N ATOM 318 CA LYS A 25 -1.150 -3.422 -5.508 1.00 0.00 C ATOM 319 C LYS A 25 -2.500 -3.470 -4.764 1.00 0.00 C ATOM 320 O LYS A 25 -2.632 -4.210 -3.794 1.00 0.00 O ATOM 321 CB LYS A 25 -0.918 -4.644 -6.426 1.00 0.00 C ATOM 322 CG LYS A 25 -2.110 -4.954 -7.341 1.00 0.00 C ATOM 323 CD LYS A 25 -1.804 -5.969 -8.456 1.00 0.00 C ATOM 324 CE LYS A 25 -3.081 -6.227 -9.278 1.00 0.00 C ATOM 325 NZ LYS A 25 -2.884 -7.196 -10.385 1.00 0.00 N ATOM 0 H LYS A 25 -0.029 -4.058 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.206 -2.525 -6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.035 -4.466 -7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.706 -5.517 -5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.930 -5.336 -6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.455 -4.025 -7.796 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.013 -5.588 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.442 -6.902 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.862 -6.598 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.436 -5.282 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.780 -7.324 -10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.160 -6.834 -11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.574 -8.109 -9.996 1.00 0.00 H new ATOM 339 N CYS A 26 -3.489 -2.688 -5.206 1.00 0.00 N ATOM 340 CA CYS A 26 -4.800 -2.526 -4.567 1.00 0.00 C ATOM 341 C CYS A 26 -5.923 -3.360 -5.219 1.00 0.00 C ATOM 342 O CYS A 26 -5.990 -3.490 -6.444 1.00 0.00 O ATOM 343 CB CYS A 26 -5.143 -1.030 -4.539 1.00 0.00 C ATOM 344 SG CYS A 26 -6.845 -0.596 -4.066 1.00 0.00 S ATOM 0 H CYS A 26 -3.395 -2.127 -6.053 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.730 -2.917 -3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.460 -0.536 -3.847 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.948 -0.617 -5.529 1.00 0.00 H new ATOM 349 N MET A 27 -6.871 -3.834 -4.405 1.00 0.00 N ATOM 350 CA MET A 27 -8.081 -4.561 -4.802 1.00 0.00 C ATOM 351 C MET A 27 -9.299 -4.062 -4.001 1.00 0.00 C ATOM 352 O MET A 27 -9.365 -4.250 -2.790 1.00 0.00 O ATOM 353 CB MET A 27 -7.853 -6.085 -4.685 1.00 0.00 C ATOM 354 CG MET A 27 -7.375 -6.631 -3.323 1.00 0.00 C ATOM 355 SD MET A 27 -5.654 -6.291 -2.840 1.00 0.00 S ATOM 356 CE MET A 27 -5.609 -7.234 -1.296 1.00 0.00 C ATOM 0 H MET A 27 -6.811 -3.714 -3.394 1.00 0.00 H new ATOM 0 HA MET A 27 -8.301 -4.360 -5.850 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.787 -6.585 -4.939 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.121 -6.375 -5.439 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.028 -6.226 -2.550 1.00 0.00 H new ATOM 0 HG3 MET A 27 -7.517 -7.712 -3.325 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.361 -6.568 -0.470 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.585 -7.686 -1.117 1.00 0.00 H new ATOM 0 HE3 MET A 27 -4.854 -8.017 -1.370 1.00 0.00 H new ATOM 366 N ASN A 28 -10.239 -3.397 -4.687 1.00 0.00 N ATOM 367 CA ASN A 28 -11.427 -2.682 -4.215 1.00 0.00 C ATOM 368 C ASN A 28 -11.163 -1.723 -3.044 1.00 0.00 C ATOM 369 O ASN A 28 -11.115 -0.509 -3.251 1.00 0.00 O ATOM 370 CB ASN A 28 -12.619 -3.653 -4.053 1.00 0.00 C ATOM 371 CG ASN A 28 -13.956 -2.937 -3.950 1.00 0.00 C ATOM 372 OD1 ASN A 28 -14.057 -1.725 -4.064 1.00 0.00 O ATOM 373 ND2 ASN A 28 -15.033 -3.642 -3.719 1.00 0.00 N ATOM 0 H ASN A 28 -10.175 -3.343 -5.704 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.729 -1.980 -4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.643 -4.336 -4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.468 -4.260 -3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -15.938 -3.179 -3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -14.968 -4.655 -3.621 1.00 0.00 H new ATOM 380 N ARG A 29 -10.970 -2.249 -1.827 1.00 0.00 N ATOM 381 CA ARG A 29 -10.756 -1.474 -0.595 1.00 0.00 C ATOM 382 C ARG A 29 -9.478 -1.834 0.142 1.00 0.00 C ATOM 383 O ARG A 29 -9.198 -1.207 1.161 1.00 0.00 O ATOM 384 CB ARG A 29 -11.919 -1.686 0.386 1.00 0.00 C ATOM 385 CG ARG A 29 -13.283 -1.480 -0.246 1.00 0.00 C ATOM 386 CD ARG A 29 -13.604 -0.011 -0.585 1.00 0.00 C ATOM 387 NE ARG A 29 -14.009 0.137 -1.989 1.00 0.00 N ATOM 388 CZ ARG A 29 -14.239 1.238 -2.671 1.00 0.00 C ATOM 389 NH1 ARG A 29 -14.325 2.414 -2.118 1.00 0.00 N ATOM 390 NH2 ARG A 29 -14.383 1.143 -3.958 1.00 0.00 N ATOM 0 H ARG A 29 -10.958 -3.256 -1.667 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.686 -0.437 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.863 -2.696 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.807 -0.999 1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.342 -2.074 -1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.047 -1.861 0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.401 0.349 0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.729 0.609 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.128 -0.734 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.212 2.513 -1.109 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.505 3.236 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.317 0.232 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.562 1.979 -4.514 1.00 0.00 H new ATOM 404 N LYS A 30 -8.730 -2.829 -0.327 1.00 0.00 N ATOM 405 CA LYS A 30 -7.589 -3.417 0.379 1.00 0.00 C ATOM 406 C LYS A 30 -6.341 -3.423 -0.507 1.00 0.00 C ATOM 407 O LYS A 30 -6.411 -3.069 -1.683 1.00 0.00 O ATOM 408 CB LYS A 30 -7.995 -4.807 0.902 1.00 0.00 C ATOM 409 CG LYS A 30 -9.199 -4.776 1.876 1.00 0.00 C ATOM 410 CD LYS A 30 -8.901 -4.016 3.183 1.00 0.00 C ATOM 411 CE LYS A 30 -10.003 -4.290 4.207 1.00 0.00 C ATOM 412 NZ LYS A 30 -9.928 -3.396 5.384 1.00 0.00 N ATOM 0 H LYS A 30 -8.903 -3.263 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.317 -2.811 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.240 -5.447 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.142 -5.259 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.049 -4.310 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.491 -5.798 2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.936 -4.327 3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.834 -2.946 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.975 -4.172 3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.935 -5.326 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.698 -3.626 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.013 -3.526 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.021 -2.407 5.075 1.00 0.00 H new ATOM 426 N CYS A 31 -5.185 -3.738 0.073 1.00 0.00 N ATOM 427 CA CYS A 31 -3.899 -3.691 -0.622 1.00 0.00 C ATOM 428 C CYS A 31 -3.024 -4.901 -0.284 1.00 0.00 C ATOM 429 O CYS A 31 -2.882 -5.248 0.891 1.00 0.00 O ATOM 430 CB CYS A 31 -3.177 -2.395 -0.244 1.00 0.00 C ATOM 431 SG CYS A 31 -1.588 -2.161 -1.081 1.00 0.00 S ATOM 0 H CYS A 31 -5.113 -4.035 1.046 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.086 -3.718 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.825 -1.550 -0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.013 -2.384 0.833 1.00 0.00 H new ATOM 436 N LYS A 32 -2.400 -5.493 -1.308 1.00 0.00 N ATOM 437 CA LYS A 32 -1.345 -6.487 -1.227 1.00 0.00 C ATOM 438 C LYS A 32 -0.009 -5.752 -1.348 1.00 0.00 C ATOM 439 O LYS A 32 0.361 -5.280 -2.426 1.00 0.00 O ATOM 440 CB LYS A 32 -1.587 -7.528 -2.337 1.00 0.00 C ATOM 441 CG LYS A 32 -0.582 -8.682 -2.299 1.00 0.00 C ATOM 442 CD LYS A 32 -0.801 -9.610 -1.096 1.00 0.00 C ATOM 443 CE LYS A 32 0.458 -10.444 -0.924 1.00 0.00 C ATOM 444 NZ LYS A 32 0.357 -11.363 0.234 1.00 0.00 N ATOM 0 H LYS A 32 -2.640 -5.270 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.334 -7.029 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.596 -7.928 -2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.532 -7.036 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.662 -9.260 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.430 -8.278 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.001 -9.029 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.666 -10.252 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.638 -11.021 -1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.315 -9.784 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.235 -11.914 0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.210 -10.811 1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.446 -12.010 0.095 1.00 0.00 H new ATOM 458 N CYS A 33 0.702 -5.630 -0.235 1.00 0.00 N ATOM 459 CA CYS A 33 2.072 -5.122 -0.214 1.00 0.00 C ATOM 460 C CYS A 33 3.004 -6.215 -0.772 1.00 0.00 C ATOM 461 O CYS A 33 2.737 -7.404 -0.591 1.00 0.00 O ATOM 462 CB CYS A 33 2.398 -4.663 1.214 1.00 0.00 C ATOM 463 SG CYS A 33 1.186 -3.486 1.907 1.00 0.00 S ATOM 0 H CYS A 33 0.344 -5.882 0.686 1.00 0.00 H new ATOM 0 HA CYS A 33 2.211 -4.249 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.453 -5.537 1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.384 -4.199 1.220 1.00 0.00 H new ATOM 468 N TYR A 34 4.045 -5.840 -1.522 1.00 0.00 N ATOM 469 CA TYR A 34 4.830 -6.825 -2.278 1.00 0.00 C ATOM 470 C TYR A 34 6.017 -7.419 -1.494 1.00 0.00 C ATOM 471 O TYR A 34 5.963 -8.586 -1.098 1.00 0.00 O ATOM 472 CB TYR A 34 5.228 -6.253 -3.651 1.00 0.00 C ATOM 473 CG TYR A 34 4.194 -6.307 -4.777 1.00 0.00 C ATOM 474 CD1 TYR A 34 2.812 -6.529 -4.559 1.00 0.00 C ATOM 475 CD2 TYR A 34 4.663 -6.203 -6.102 1.00 0.00 C ATOM 476 CE1 TYR A 34 1.945 -6.728 -5.649 1.00 0.00 C ATOM 477 CE2 TYR A 34 3.786 -6.349 -7.195 1.00 0.00 C ATOM 478 CZ TYR A 34 2.423 -6.634 -6.971 1.00 0.00 C ATOM 479 OH TYR A 34 1.568 -6.853 -8.008 1.00 0.00 O ATOM 0 H TYR A 34 4.362 -4.876 -1.623 1.00 0.00 H new ATOM 0 HA TYR A 34 4.183 -7.685 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.513 -5.211 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.118 -6.784 -3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.422 -6.546 -3.552 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.710 -6.009 -6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.904 -6.955 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.157 -6.243 -8.204 1.00 0.00 H new ATOM 0 HH TYR A 34 2.049 -6.750 -8.856 1.00 0.00 H new ATOM 489 N TYR A 35 7.088 -6.643 -1.287 1.00 0.00 N ATOM 490 CA TYR A 35 8.382 -7.138 -0.780 1.00 0.00 C ATOM 491 C TYR A 35 8.935 -6.358 0.433 1.00 0.00 C ATOM 492 O TYR A 35 10.142 -6.139 0.551 1.00 0.00 O ATOM 493 CB TYR A 35 9.382 -7.223 -1.948 1.00 0.00 C ATOM 494 CG TYR A 35 8.939 -8.070 -3.134 1.00 0.00 C ATOM 495 CD1 TYR A 35 8.679 -9.446 -2.974 1.00 0.00 C ATOM 496 CD2 TYR A 35 8.792 -7.480 -4.403 1.00 0.00 C ATOM 497 CE1 TYR A 35 8.261 -10.221 -4.074 1.00 0.00 C ATOM 498 CE2 TYR A 35 8.371 -8.250 -5.507 1.00 0.00 C ATOM 499 CZ TYR A 35 8.104 -9.626 -5.345 1.00 0.00 C ATOM 500 OH TYR A 35 7.732 -10.386 -6.407 1.00 0.00 O ATOM 0 H TYR A 35 7.084 -5.639 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 35 8.216 -8.137 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.586 -6.213 -2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.322 -7.624 -1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.801 -9.908 -2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.003 -6.429 -4.533 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.060 -11.274 -3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.253 -7.787 -6.476 1.00 0.00 H new ATOM 0 HH TYR A 35 7.668 -9.822 -7.206 1.00 0.00 H new ATOM 510 N CYS A 36 8.068 -5.884 1.329 1.00 0.00 N ATOM 511 CA CYS A 36 8.435 -5.149 2.536 1.00 0.00 C ATOM 512 C CYS A 36 7.807 -5.729 3.822 1.00 0.00 C ATOM 513 O CYS A 36 8.123 -5.221 4.920 1.00 0.00 O ATOM 514 CB CYS A 36 8.100 -3.685 2.256 1.00 0.00 C ATOM 515 SG CYS A 36 6.337 -3.296 2.343 1.00 0.00 S ATOM 516 OXT CYS A 36 7.050 -6.726 3.747 1.00 0.00 O ATOM 0 H CYS A 36 7.060 -6.006 1.230 1.00 0.00 H new ATOM 0 HA CYS A 36 9.499 -5.245 2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.634 -3.059 2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.470 -3.423 1.265 1.00 0.00 H new TER 521 CYS A 36