USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 277 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 ASP N :NH3+ -120:sc= 0.13 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -120:sc= 0.03 USER MOD Single : A 24 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.3) USER MOD Single : A 25 SER OG : rot -73:sc= 0.799 USER MOD Single : A 29 ASN : amide:sc= -0.552 K(o=-0.55,f=-4!) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0374) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.071 1.208 13.388 1.00 1.00 N ATOM 2 CA ASP A 1 9.231 2.409 13.482 1.00 1.00 C ATOM 3 C ASP A 1 7.939 2.176 12.716 1.00 1.00 C ATOM 4 O ASP A 1 7.847 1.201 11.962 1.00 1.00 O ATOM 5 CB ASP A 1 9.970 3.659 13.012 1.00 1.00 C ATOM 6 CG ASP A 1 9.638 4.814 13.941 1.00 1.00 C ATOM 7 OD1 ASP A 1 8.458 5.221 14.007 1.00 1.00 O ATOM 8 OD2 ASP A 1 10.578 5.291 14.624 1.00 1.00 O ATOM 0 H1 ASP A 1 10.251 0.835 14.342 1.00 1.00 H new ATOM 0 H2 ASP A 1 9.582 0.486 12.821 1.00 1.00 H new ATOM 0 H3 ASP A 1 10.975 1.451 12.935 1.00 1.00 H new ATOM 0 HA ASP A 1 8.985 2.591 14.528 1.00 1.00 H new ATOM 0 HB2 ASP A 1 11.045 3.479 13.005 1.00 1.00 H new ATOM 0 HB3 ASP A 1 9.681 3.904 11.990 1.00 1.00 H new ATOM 15 N GLU A 2 6.924 3.015 12.914 1.00 1.00 N ATOM 16 CA GLU A 2 5.660 2.938 12.189 1.00 1.00 C ATOM 17 C GLU A 2 5.862 3.427 10.742 1.00 1.00 C ATOM 18 O GLU A 2 7.003 3.510 10.281 1.00 1.00 O ATOM 19 CB GLU A 2 4.554 3.686 12.965 1.00 1.00 C ATOM 20 CG GLU A 2 3.282 2.837 13.151 1.00 1.00 C ATOM 21 CD GLU A 2 2.738 2.297 11.828 1.00 1.00 C ATOM 22 OE1 GLU A 2 2.170 3.094 11.047 1.00 1.00 O ATOM 23 OE2 GLU A 2 3.001 1.115 11.500 1.00 1.00 O ATOM 0 H GLU A 2 6.958 3.777 13.591 1.00 1.00 H new ATOM 0 HA GLU A 2 5.320 1.905 12.116 1.00 1.00 H new ATOM 0 HB2 GLU A 2 4.936 3.979 13.943 1.00 1.00 H new ATOM 0 HB3 GLU A 2 4.300 4.603 12.434 1.00 1.00 H new ATOM 0 HG2 GLU A 2 3.501 2.003 13.818 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.515 3.440 13.636 1.00 1.00 H new ATOM 30 N ALA A 3 4.771 3.711 10.019 1.00 1.00 N ATOM 31 CA ALA A 3 4.702 4.045 8.605 1.00 1.00 C ATOM 32 C ALA A 3 5.134 2.833 7.779 1.00 1.00 C ATOM 33 O ALA A 3 6.330 2.564 7.630 1.00 1.00 O ATOM 34 CB ALA A 3 5.485 5.319 8.276 1.00 1.00 C ATOM 0 H ALA A 3 3.846 3.711 10.448 1.00 1.00 H new ATOM 0 HA ALA A 3 3.671 4.278 8.339 1.00 1.00 H new ATOM 0 HB1 ALA A 3 5.405 5.530 7.210 1.00 1.00 H new ATOM 0 HB2 ALA A 3 5.075 6.155 8.843 1.00 1.00 H new ATOM 0 HB3 ALA A 3 6.533 5.181 8.541 1.00 1.00 H new ATOM 40 N ILE A 4 4.176 2.067 7.258 1.00 1.00 N ATOM 41 CA ILE A 4 4.502 0.819 6.578 1.00 1.00 C ATOM 42 C ILE A 4 4.998 1.231 5.185 1.00 1.00 C ATOM 43 O ILE A 4 4.292 1.883 4.415 1.00 1.00 O ATOM 44 CB ILE A 4 3.307 -0.160 6.642 1.00 1.00 C ATOM 45 CG1 ILE A 4 3.728 -1.630 6.445 1.00 1.00 C ATOM 46 CG2 ILE A 4 2.115 0.211 5.751 1.00 1.00 C ATOM 47 CD1 ILE A 4 4.423 -1.977 5.125 1.00 1.00 C ATOM 0 H ILE A 4 3.181 2.287 7.294 1.00 1.00 H new ATOM 0 HA ILE A 4 5.296 0.240 7.049 1.00 1.00 H new ATOM 0 HB ILE A 4 2.941 -0.053 7.663 1.00 1.00 H new ATOM 0 HG12 ILE A 4 4.394 -1.905 7.263 1.00 1.00 H new ATOM 0 HG13 ILE A 4 2.838 -2.253 6.535 1.00 1.00 H new ATOM 0 HG21 ILE A 4 1.329 -0.535 5.866 1.00 1.00 H new ATOM 0 HG22 ILE A 4 1.732 1.189 6.044 1.00 1.00 H new ATOM 0 HG23 ILE A 4 2.435 0.244 4.710 1.00 1.00 H new ATOM 0 HD11 ILE A 4 4.667 -3.039 5.111 1.00 1.00 H new ATOM 0 HD12 ILE A 4 3.759 -1.746 4.292 1.00 1.00 H new ATOM 0 HD13 ILE A 4 5.338 -1.393 5.031 1.00 1.00 H new ATOM 59 N ARG A 5 6.278 0.964 4.924 1.00 1.00 N ATOM 60 CA ARG A 5 6.995 1.405 3.728 1.00 1.00 C ATOM 61 C ARG A 5 7.043 0.320 2.657 1.00 1.00 C ATOM 62 O ARG A 5 6.857 -0.855 2.971 1.00 1.00 O ATOM 63 CB ARG A 5 8.394 1.918 4.124 1.00 1.00 C ATOM 64 CG ARG A 5 9.185 0.946 5.015 1.00 1.00 C ATOM 65 CD ARG A 5 10.629 1.424 5.208 1.00 1.00 C ATOM 66 NE ARG A 5 11.342 0.614 6.210 1.00 1.00 N ATOM 67 CZ ARG A 5 11.775 -0.643 6.069 1.00 1.00 C ATOM 68 NH1 ARG A 5 11.633 -1.281 4.911 1.00 1.00 N ATOM 69 NH2 ARG A 5 12.338 -1.250 7.102 1.00 1.00 N ATOM 0 H ARG A 5 6.862 0.419 5.558 1.00 1.00 H new ATOM 0 HA ARG A 5 6.449 2.233 3.275 1.00 1.00 H new ATOM 0 HB2 ARG A 5 8.968 2.114 3.218 1.00 1.00 H new ATOM 0 HB3 ARG A 5 8.287 2.869 4.646 1.00 1.00 H new ATOM 0 HG2 ARG A 5 8.696 0.857 5.985 1.00 1.00 H new ATOM 0 HG3 ARG A 5 9.184 -0.047 4.565 1.00 1.00 H new ATOM 0 HD2 ARG A 5 11.159 1.375 4.257 1.00 1.00 H new ATOM 0 HD3 ARG A 5 10.628 2.469 5.519 1.00 1.00 H new ATOM 0 HE ARG A 5 11.525 1.060 7.109 1.00 1.00 H new ATOM 0 HH11 ARG A 5 11.191 -0.811 4.121 1.00 1.00 H new ATOM 0 HH12 ARG A 5 11.966 -2.240 4.813 1.00 1.00 H new ATOM 0 HH21 ARG A 5 12.437 -0.759 7.990 1.00 1.00 H new ATOM 0 HH22 ARG A 5 12.673 -2.209 7.009 1.00 1.00 H new ATOM 83 N CYS A 6 7.364 0.688 1.416 1.00 1.00 N ATOM 84 CA CYS A 6 7.432 -0.203 0.259 1.00 1.00 C ATOM 85 C CYS A 6 8.600 0.168 -0.646 1.00 1.00 C ATOM 86 O CYS A 6 8.982 1.334 -0.734 1.00 1.00 O ATOM 87 CB CYS A 6 6.148 -0.083 -0.577 1.00 1.00 C ATOM 88 SG CYS A 6 5.468 1.599 -0.720 1.00 1.00 S ATOM 0 H CYS A 6 7.593 1.654 1.181 1.00 1.00 H new ATOM 0 HA CYS A 6 7.558 -1.218 0.637 1.00 1.00 H new ATOM 0 HB2 CYS A 6 6.350 -0.462 -1.579 1.00 1.00 H new ATOM 0 HB3 CYS A 6 5.387 -0.729 -0.139 1.00 1.00 H new ATOM 93 N THR A 7 9.132 -0.817 -1.366 1.00 1.00 N ATOM 94 CA THR A 7 10.144 -0.605 -2.390 1.00 1.00 C ATOM 95 C THR A 7 9.461 -0.153 -3.688 1.00 1.00 C ATOM 96 O THR A 7 9.891 0.836 -4.292 1.00 1.00 O ATOM 97 CB THR A 7 10.984 -1.881 -2.547 1.00 1.00 C ATOM 98 OG1 THR A 7 11.660 -2.102 -1.324 1.00 1.00 O ATOM 99 CG2 THR A 7 12.011 -1.785 -3.675 1.00 1.00 C ATOM 0 H THR A 7 8.867 -1.795 -1.251 1.00 1.00 H new ATOM 0 HA THR A 7 10.835 0.189 -2.106 1.00 1.00 H new ATOM 0 HB THR A 7 10.313 -2.702 -2.802 1.00 1.00 H new ATOM 0 HG1 THR A 7 12.205 -2.914 -1.393 1.00 1.00 H new ATOM 0 HG21 THR A 7 12.573 -2.717 -3.736 1.00 1.00 H new ATOM 0 HG22 THR A 7 11.498 -1.608 -4.620 1.00 1.00 H new ATOM 0 HG23 THR A 7 12.696 -0.961 -3.475 1.00 1.00 H new ATOM 107 N GLY A 8 8.389 -0.825 -4.117 1.00 1.00 N ATOM 108 CA GLY A 8 7.652 -0.508 -5.334 1.00 1.00 C ATOM 109 C GLY A 8 6.159 -0.341 -5.068 1.00 1.00 C ATOM 110 O GLY A 8 5.600 -0.970 -4.169 1.00 1.00 O ATOM 0 H GLY A 8 8.004 -1.623 -3.612 1.00 1.00 H new ATOM 0 HA2 GLY A 8 8.048 0.409 -5.770 1.00 1.00 H new ATOM 0 HA3 GLY A 8 7.804 -1.300 -6.067 1.00 1.00 H new ATOM 114 N THR A 9 5.505 0.463 -5.902 1.00 1.00 N ATOM 115 CA THR A 9 4.096 0.822 -5.878 1.00 1.00 C ATOM 116 C THR A 9 3.177 -0.373 -5.652 1.00 1.00 C ATOM 117 O THR A 9 2.361 -0.359 -4.727 1.00 1.00 O ATOM 118 CB THR A 9 3.762 1.543 -7.195 1.00 1.00 C ATOM 119 OG1 THR A 9 4.551 2.708 -7.314 1.00 1.00 O ATOM 120 CG2 THR A 9 2.286 1.932 -7.294 1.00 1.00 C ATOM 0 H THR A 9 5.991 0.916 -6.676 1.00 1.00 H new ATOM 0 HA THR A 9 3.921 1.482 -5.028 1.00 1.00 H new ATOM 0 HB THR A 9 3.978 0.845 -8.004 1.00 1.00 H new ATOM 0 HG1 THR A 9 4.337 3.164 -8.155 1.00 1.00 H new ATOM 0 HG21 THR A 9 2.106 2.437 -8.243 1.00 1.00 H new ATOM 0 HG22 THR A 9 1.669 1.035 -7.238 1.00 1.00 H new ATOM 0 HG23 THR A 9 2.030 2.601 -6.472 1.00 1.00 H new ATOM 128 N LYS A 10 3.261 -1.381 -6.518 1.00 1.00 N ATOM 129 CA LYS A 10 2.329 -2.496 -6.494 1.00 1.00 C ATOM 130 C LYS A 10 2.761 -3.581 -5.516 1.00 1.00 C ATOM 131 O LYS A 10 1.989 -4.500 -5.273 1.00 1.00 O ATOM 132 CB LYS A 10 2.079 -3.012 -7.916 1.00 1.00 C ATOM 133 CG LYS A 10 1.391 -1.923 -8.767 1.00 1.00 C ATOM 134 CD LYS A 10 1.213 -2.302 -10.237 1.00 1.00 C ATOM 135 CE LYS A 10 0.278 -3.502 -10.397 1.00 1.00 C ATOM 136 NZ LYS A 10 0.138 -3.903 -11.808 1.00 1.00 N ATOM 0 H LYS A 10 3.971 -1.444 -7.248 1.00 1.00 H new ATOM 0 HA LYS A 10 1.371 -2.142 -6.114 1.00 1.00 H new ATOM 0 HB2 LYS A 10 3.024 -3.301 -8.377 1.00 1.00 H new ATOM 0 HB3 LYS A 10 1.455 -3.905 -7.882 1.00 1.00 H new ATOM 0 HG2 LYS A 10 0.413 -1.705 -8.338 1.00 1.00 H new ATOM 0 HG3 LYS A 10 1.977 -1.006 -8.707 1.00 1.00 H new ATOM 0 HD2 LYS A 10 0.812 -1.451 -10.787 1.00 1.00 H new ATOM 0 HD3 LYS A 10 2.184 -2.535 -10.674 1.00 1.00 H new ATOM 0 HE2 LYS A 10 0.662 -4.341 -9.817 1.00 1.00 H new ATOM 0 HE3 LYS A 10 -0.703 -3.255 -9.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 -0.503 -4.719 -11.875 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 -0.252 -3.110 -12.357 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 1.070 -4.163 -12.189 1.00 1.00 H new ATOM 150 N ASP A 11 3.925 -3.452 -4.877 1.00 1.00 N ATOM 151 CA ASP A 11 4.387 -4.407 -3.874 1.00 1.00 C ATOM 152 C ASP A 11 3.353 -4.474 -2.757 1.00 1.00 C ATOM 153 O ASP A 11 2.917 -5.556 -2.358 1.00 1.00 O ATOM 154 CB ASP A 11 5.733 -4.004 -3.246 1.00 1.00 C ATOM 155 CG ASP A 11 6.922 -3.866 -4.190 1.00 1.00 C ATOM 156 OD1 ASP A 11 6.774 -3.938 -5.432 1.00 1.00 O ATOM 157 OD2 ASP A 11 8.035 -3.648 -3.659 1.00 1.00 O ATOM 0 H ASP A 11 4.573 -2.681 -5.042 1.00 1.00 H new ATOM 0 HA ASP A 11 4.520 -5.367 -4.374 1.00 1.00 H new ATOM 0 HB2 ASP A 11 5.596 -3.053 -2.732 1.00 1.00 H new ATOM 0 HB3 ASP A 11 5.987 -4.743 -2.486 1.00 1.00 H new ATOM 162 N CYS A 12 2.944 -3.302 -2.263 1.00 1.00 N ATOM 163 CA CYS A 12 2.028 -3.192 -1.140 1.00 1.00 C ATOM 164 C CYS A 12 0.598 -3.626 -1.495 1.00 1.00 C ATOM 165 O CYS A 12 -0.227 -3.691 -0.587 1.00 1.00 O ATOM 166 CB CYS A 12 2.083 -1.778 -0.537 1.00 1.00 C ATOM 167 SG CYS A 12 2.528 -1.764 1.223 1.00 1.00 S ATOM 0 H CYS A 12 3.244 -2.402 -2.638 1.00 1.00 H new ATOM 0 HA CYS A 12 2.359 -3.894 -0.375 1.00 1.00 H new ATOM 0 HB2 CYS A 12 2.807 -1.182 -1.092 1.00 1.00 H new ATOM 0 HB3 CYS A 12 1.112 -1.299 -0.663 1.00 1.00 H new ATOM 172 N TYR A 13 0.286 -3.966 -2.757 1.00 1.00 N ATOM 173 CA TYR A 13 -1.034 -4.491 -3.101 1.00 1.00 C ATOM 174 C TYR A 13 -1.264 -5.834 -2.413 1.00 1.00 C ATOM 175 O TYR A 13 -2.403 -6.102 -2.054 1.00 1.00 O ATOM 176 CB TYR A 13 -1.247 -4.657 -4.616 1.00 1.00 C ATOM 177 CG TYR A 13 -1.608 -3.408 -5.406 1.00 1.00 C ATOM 178 CD1 TYR A 13 -0.905 -2.203 -5.224 1.00 1.00 C ATOM 179 CD2 TYR A 13 -2.640 -3.462 -6.365 1.00 1.00 C ATOM 180 CE1 TYR A 13 -1.201 -1.074 -6.004 1.00 1.00 C ATOM 181 CE2 TYR A 13 -2.965 -2.329 -7.130 1.00 1.00 C ATOM 182 CZ TYR A 13 -2.238 -1.134 -6.955 1.00 1.00 C ATOM 183 OH TYR A 13 -2.502 -0.048 -7.724 1.00 1.00 O ATOM 0 H TYR A 13 0.928 -3.885 -3.546 1.00 1.00 H new ATOM 0 HA TYR A 13 -1.755 -3.753 -2.750 1.00 1.00 H new ATOM 0 HB2 TYR A 13 -0.335 -5.075 -5.042 1.00 1.00 H new ATOM 0 HB3 TYR A 13 -2.036 -5.393 -4.768 1.00 1.00 H new ATOM 0 HD1 TYR A 13 -0.129 -2.146 -4.475 1.00 1.00 H new ATOM 0 HD2 TYR A 13 -3.186 -4.382 -6.513 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.636 -0.163 -5.875 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -3.769 -2.374 -7.850 1.00 1.00 H new ATOM 0 HH TYR A 13 -3.245 -0.250 -8.331 1.00 1.00 H new ATOM 193 N ILE A 14 -0.228 -6.660 -2.205 1.00 1.00 N ATOM 194 CA ILE A 14 -0.352 -7.911 -1.454 1.00 1.00 C ATOM 195 C ILE A 14 -0.858 -7.603 -0.034 1.00 1.00 C ATOM 196 O ILE A 14 -2.016 -7.924 0.255 1.00 1.00 O ATOM 197 CB ILE A 14 0.956 -8.749 -1.537 1.00 1.00 C ATOM 198 CG1 ILE A 14 1.135 -9.392 -2.931 1.00 1.00 C ATOM 199 CG2 ILE A 14 1.074 -9.837 -0.448 1.00 1.00 C ATOM 200 CD1 ILE A 14 0.188 -10.563 -3.233 1.00 1.00 C ATOM 0 H ILE A 14 0.714 -6.478 -2.552 1.00 1.00 H new ATOM 0 HA ILE A 14 -1.103 -8.561 -1.903 1.00 1.00 H new ATOM 0 HB ILE A 14 1.756 -8.031 -1.360 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.991 -8.623 -3.690 1.00 1.00 H new ATOM 0 HG13 ILE A 14 2.163 -9.743 -3.023 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.012 -10.377 -0.574 1.00 1.00 H new ATOM 0 HG22 ILE A 14 1.053 -9.370 0.537 1.00 1.00 H new ATOM 0 HG23 ILE A 14 0.240 -10.533 -0.537 1.00 1.00 H new ATOM 0 HD11 ILE A 14 0.391 -10.946 -4.233 1.00 1.00 H new ATOM 0 HD12 ILE A 14 0.345 -11.356 -2.502 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.845 -10.219 -3.179 1.00 1.00 H new ATOM 212 N PRO A 15 -0.064 -6.975 0.860 1.00 1.00 N ATOM 213 CA PRO A 15 -0.479 -6.796 2.240 1.00 1.00 C ATOM 214 C PRO A 15 -1.726 -5.923 2.320 1.00 1.00 C ATOM 215 O PRO A 15 -2.635 -6.279 3.058 1.00 1.00 O ATOM 216 CB PRO A 15 0.718 -6.201 2.983 1.00 1.00 C ATOM 217 CG PRO A 15 1.513 -5.517 1.874 1.00 1.00 C ATOM 218 CD PRO A 15 1.276 -6.438 0.680 1.00 1.00 C ATOM 0 HA PRO A 15 -0.761 -7.741 2.704 1.00 1.00 H new ATOM 0 HB2 PRO A 15 0.404 -5.492 3.749 1.00 1.00 H new ATOM 0 HB3 PRO A 15 1.305 -6.972 3.483 1.00 1.00 H new ATOM 0 HG2 PRO A 15 1.155 -4.505 1.683 1.00 1.00 H new ATOM 0 HG3 PRO A 15 2.571 -5.439 2.122 1.00 1.00 H new ATOM 0 HD2 PRO A 15 1.356 -5.891 -0.259 1.00 1.00 H new ATOM 0 HD3 PRO A 15 2.017 -7.237 0.648 1.00 1.00 H new ATOM 226 N CYS A 16 -1.828 -4.837 1.543 1.00 1.00 N ATOM 227 CA CYS A 16 -3.013 -3.993 1.581 1.00 1.00 C ATOM 228 C CYS A 16 -4.261 -4.793 1.230 1.00 1.00 C ATOM 229 O CYS A 16 -5.214 -4.780 2.006 1.00 1.00 O ATOM 230 CB CYS A 16 -2.862 -2.780 0.666 1.00 1.00 C ATOM 231 SG CYS A 16 -4.307 -1.687 0.658 1.00 1.00 S ATOM 0 H CYS A 16 -1.108 -4.530 0.889 1.00 1.00 H new ATOM 0 HA CYS A 16 -3.125 -3.623 2.600 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -1.987 -2.209 0.977 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -2.673 -3.125 -0.351 1.00 1.00 H new ATOM 236 N ARG A 17 -4.271 -5.513 0.103 1.00 1.00 N ATOM 237 CA ARG A 17 -5.435 -6.309 -0.266 1.00 1.00 C ATOM 238 C ARG A 17 -5.653 -7.421 0.758 1.00 1.00 C ATOM 239 O ARG A 17 -6.804 -7.729 1.057 1.00 1.00 O ATOM 240 CB ARG A 17 -5.291 -6.818 -1.711 1.00 1.00 C ATOM 241 CG ARG A 17 -6.612 -7.317 -2.304 1.00 1.00 C ATOM 242 CD ARG A 17 -6.858 -8.821 -2.093 1.00 1.00 C ATOM 243 NE ARG A 17 -8.261 -9.129 -1.788 1.00 1.00 N ATOM 244 CZ ARG A 17 -9.337 -8.827 -2.523 1.00 1.00 C ATOM 245 NH1 ARG A 17 -9.204 -8.330 -3.748 1.00 1.00 N ATOM 246 NH2 ARG A 17 -10.548 -9.025 -2.030 1.00 1.00 N ATOM 0 H ARG A 17 -3.495 -5.558 -0.558 1.00 1.00 H new ATOM 0 HA ARG A 17 -6.334 -5.694 -0.247 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -4.899 -6.015 -2.336 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -4.560 -7.626 -1.735 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -7.434 -6.758 -1.858 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -6.624 -7.103 -3.373 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -6.558 -9.363 -2.990 1.00 1.00 H new ATOM 0 HD3 ARG A 17 -6.227 -9.177 -1.279 1.00 1.00 H new ATOM 0 HE ARG A 17 -8.435 -9.630 -0.917 1.00 1.00 H new ATOM 0 HH11 ARG A 17 -8.274 -8.175 -4.137 1.00 1.00 H new ATOM 0 HH12 ARG A 17 -10.032 -8.104 -4.299 1.00 1.00 H new ATOM 0 HH21 ARG A 17 -10.660 -9.407 -1.091 1.00 1.00 H new ATOM 0 HH22 ARG A 17 -11.370 -8.795 -2.589 1.00 1.00 H new ATOM 260 N TYR A 18 -4.589 -7.991 1.336 1.00 1.00 N ATOM 261 CA TYR A 18 -4.744 -8.975 2.403 1.00 1.00 C ATOM 262 C TYR A 18 -5.454 -8.381 3.629 1.00 1.00 C ATOM 263 O TYR A 18 -6.342 -9.024 4.194 1.00 1.00 O ATOM 264 CB TYR A 18 -3.379 -9.567 2.787 1.00 1.00 C ATOM 265 CG TYR A 18 -3.429 -10.981 3.332 1.00 1.00 C ATOM 266 CD1 TYR A 18 -3.690 -11.229 4.694 1.00 1.00 C ATOM 267 CD2 TYR A 18 -3.152 -12.056 2.468 1.00 1.00 C ATOM 268 CE1 TYR A 18 -3.629 -12.543 5.197 1.00 1.00 C ATOM 269 CE2 TYR A 18 -3.125 -13.370 2.959 1.00 1.00 C ATOM 270 CZ TYR A 18 -3.339 -13.622 4.331 1.00 1.00 C ATOM 271 OH TYR A 18 -3.199 -14.891 4.802 1.00 1.00 O ATOM 0 H TYR A 18 -3.622 -7.788 1.083 1.00 1.00 H new ATOM 0 HA TYR A 18 -5.377 -9.778 2.026 1.00 1.00 H new ATOM 0 HB2 TYR A 18 -2.733 -9.554 1.909 1.00 1.00 H new ATOM 0 HB3 TYR A 18 -2.916 -8.921 3.533 1.00 1.00 H new ATOM 0 HD1 TYR A 18 -3.937 -10.410 5.353 1.00 1.00 H new ATOM 0 HD2 TYR A 18 -2.959 -11.869 1.422 1.00 1.00 H new ATOM 0 HE1 TYR A 18 -3.804 -12.727 6.247 1.00 1.00 H new ATOM 0 HE2 TYR A 18 -2.940 -14.192 2.284 1.00 1.00 H new ATOM 0 HH TYR A 18 -3.002 -15.497 4.057 1.00 1.00 H new ATOM 281 N ILE A 19 -5.060 -7.179 4.052 1.00 1.00 N ATOM 282 CA ILE A 19 -5.491 -6.501 5.271 1.00 1.00 C ATOM 283 C ILE A 19 -6.865 -5.850 5.109 1.00 1.00 C ATOM 284 O ILE A 19 -7.764 -6.110 5.905 1.00 1.00 O ATOM 285 CB ILE A 19 -4.433 -5.429 5.654 1.00 1.00 C ATOM 286 CG1 ILE A 19 -3.104 -6.088 6.090 1.00 1.00 C ATOM 287 CG2 ILE A 19 -4.909 -4.483 6.775 1.00 1.00 C ATOM 288 CD1 ILE A 19 -1.915 -5.120 6.025 1.00 1.00 C ATOM 0 H ILE A 19 -4.392 -6.621 3.520 1.00 1.00 H new ATOM 0 HA ILE A 19 -5.579 -7.244 6.064 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.279 -4.835 4.753 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.206 -6.464 7.108 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -2.903 -6.948 5.451 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.126 -3.758 6.996 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -5.808 -3.958 6.451 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.130 -5.063 7.671 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -1.008 -5.636 6.342 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -1.791 -4.764 5.002 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -2.100 -4.272 6.685 1.00 1.00 H new ATOM 300 N THR A 20 -7.029 -4.984 4.111 1.00 1.00 N ATOM 301 CA THR A 20 -8.219 -4.169 3.928 1.00 1.00 C ATOM 302 C THR A 20 -9.231 -4.779 2.951 1.00 1.00 C ATOM 303 O THR A 20 -10.370 -4.316 2.901 1.00 1.00 O ATOM 304 CB THR A 20 -7.735 -2.736 3.591 1.00 1.00 C ATOM 305 OG1 THR A 20 -8.476 -1.727 4.243 1.00 1.00 O ATOM 306 CG2 THR A 20 -7.677 -2.376 2.108 1.00 1.00 C ATOM 0 H THR A 20 -6.321 -4.829 3.394 1.00 1.00 H new ATOM 0 HA THR A 20 -8.810 -4.127 4.843 1.00 1.00 H new ATOM 0 HB THR A 20 -6.712 -2.769 3.964 1.00 1.00 H new ATOM 0 HG1 THR A 20 -8.896 -1.146 3.575 1.00 1.00 H new ATOM 0 HG21 THR A 20 -7.325 -1.351 1.996 1.00 1.00 H new ATOM 0 HG22 THR A 20 -6.993 -3.053 1.596 1.00 1.00 H new ATOM 0 HG23 THR A 20 -8.672 -2.468 1.672 1.00 1.00 H new ATOM 314 N GLY A 21 -8.863 -5.814 2.190 1.00 1.00 N ATOM 315 CA GLY A 21 -9.736 -6.444 1.208 1.00 1.00 C ATOM 316 C GLY A 21 -9.824 -5.630 -0.081 1.00 1.00 C ATOM 317 O GLY A 21 -9.715 -6.197 -1.167 1.00 1.00 O ATOM 0 H GLY A 21 -7.938 -6.240 2.243 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -9.366 -7.444 0.981 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -10.733 -6.562 1.632 1.00 1.00 H new ATOM 321 N CYS A 22 -10.000 -4.311 0.005 1.00 1.00 N ATOM 322 CA CYS A 22 -9.945 -3.456 -1.168 1.00 1.00 C ATOM 323 C CYS A 22 -8.506 -3.302 -1.666 1.00 1.00 C ATOM 324 O CYS A 22 -7.539 -3.445 -0.920 1.00 1.00 O ATOM 325 CB CYS A 22 -10.572 -2.093 -0.872 1.00 1.00 C ATOM 326 SG CYS A 22 -12.361 -2.201 -0.638 1.00 1.00 S ATOM 0 H CYS A 22 -10.182 -3.817 0.878 1.00 1.00 H new ATOM 0 HA CYS A 22 -10.523 -3.930 -1.961 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -10.115 -1.671 0.023 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -10.355 -1.409 -1.693 1.00 1.00 H new ATOM 331 N PHE A 23 -8.381 -3.008 -2.959 1.00 1.00 N ATOM 332 CA PHE A 23 -7.126 -2.673 -3.621 1.00 1.00 C ATOM 333 C PHE A 23 -6.913 -1.141 -3.595 1.00 1.00 C ATOM 334 O PHE A 23 -7.324 -0.458 -2.656 1.00 1.00 O ATOM 335 CB PHE A 23 -7.085 -3.331 -5.019 1.00 1.00 C ATOM 336 CG PHE A 23 -7.814 -2.603 -6.142 1.00 1.00 C ATOM 337 CD1 PHE A 23 -9.171 -2.252 -6.015 1.00 1.00 C ATOM 338 CD2 PHE A 23 -7.110 -2.214 -7.298 1.00 1.00 C ATOM 339 CE1 PHE A 23 -9.812 -1.502 -7.013 1.00 1.00 C ATOM 340 CE2 PHE A 23 -7.753 -1.476 -8.304 1.00 1.00 C ATOM 341 CZ PHE A 23 -9.104 -1.114 -8.159 1.00 1.00 C ATOM 0 H PHE A 23 -9.179 -2.997 -3.594 1.00 1.00 H new ATOM 0 HA PHE A 23 -6.269 -3.085 -3.088 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -6.041 -3.446 -5.310 1.00 1.00 H new ATOM 0 HB3 PHE A 23 -7.505 -4.333 -4.935 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -9.724 -2.563 -5.141 1.00 1.00 H new ATOM 0 HD2 PHE A 23 -6.071 -2.485 -7.411 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -10.849 -1.224 -6.898 1.00 1.00 H new ATOM 0 HE2 PHE A 23 -7.209 -1.186 -9.191 1.00 1.00 H new ATOM 0 HZ PHE A 23 -9.595 -0.538 -8.929 1.00 1.00 H new ATOM 351 N ASN A 24 -6.295 -0.603 -4.650 1.00 1.00 N ATOM 352 CA ASN A 24 -5.958 0.799 -4.877 1.00 1.00 C ATOM 353 C ASN A 24 -4.975 1.314 -3.833 1.00 1.00 C ATOM 354 O ASN A 24 -5.234 2.281 -3.105 1.00 1.00 O ATOM 355 CB ASN A 24 -7.194 1.692 -5.080 1.00 1.00 C ATOM 356 CG ASN A 24 -6.804 3.078 -5.597 1.00 1.00 C ATOM 357 OD1 ASN A 24 -5.728 3.288 -6.157 1.00 1.00 O ATOM 358 ND2 ASN A 24 -7.695 4.045 -5.503 1.00 1.00 N ATOM 0 H ASN A 24 -5.994 -1.188 -5.430 1.00 1.00 H new ATOM 0 HA ASN A 24 -5.434 0.855 -5.831 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -7.875 1.217 -5.786 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -7.731 1.792 -4.137 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -7.492 4.965 -5.894 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.587 3.873 -5.039 1.00 1.00 H new ATOM 365 N SER A 25 -3.849 0.607 -3.750 1.00 1.00 N ATOM 366 CA SER A 25 -2.710 0.996 -2.946 1.00 1.00 C ATOM 367 C SER A 25 -1.882 1.993 -3.763 1.00 1.00 C ATOM 368 O SER A 25 -1.895 1.987 -4.999 1.00 1.00 O ATOM 369 CB SER A 25 -1.884 -0.234 -2.555 1.00 1.00 C ATOM 370 OG SER A 25 -2.714 -1.361 -2.325 1.00 1.00 O ATOM 0 H SER A 25 -3.708 -0.269 -4.253 1.00 1.00 H new ATOM 0 HA SER A 25 -3.036 1.465 -2.017 1.00 1.00 H new ATOM 0 HB2 SER A 25 -1.170 -0.461 -3.346 1.00 1.00 H new ATOM 0 HB3 SER A 25 -1.306 -0.016 -1.657 1.00 1.00 H new ATOM 0 HG SER A 25 -3.191 -1.248 -1.476 1.00 1.00 H new ATOM 376 N ARG A 26 -1.136 2.857 -3.089 1.00 1.00 N ATOM 377 CA ARG A 26 -0.252 3.832 -3.684 1.00 1.00 C ATOM 378 C ARG A 26 0.940 3.965 -2.751 1.00 1.00 C ATOM 379 O ARG A 26 0.763 4.132 -1.539 1.00 1.00 O ATOM 380 CB ARG A 26 -0.996 5.175 -3.844 1.00 1.00 C ATOM 381 CG ARG A 26 -0.532 5.926 -5.094 1.00 1.00 C ATOM 382 CD ARG A 26 -1.208 7.293 -5.260 1.00 1.00 C ATOM 383 NE ARG A 26 -0.814 7.891 -6.545 1.00 1.00 N ATOM 384 CZ ARG A 26 -1.527 8.710 -7.326 1.00 1.00 C ATOM 385 NH1 ARG A 26 -2.667 9.256 -6.923 1.00 1.00 N ATOM 386 NH2 ARG A 26 -1.075 8.970 -8.540 1.00 1.00 N ATOM 0 H ARG A 26 -1.135 2.894 -2.070 1.00 1.00 H new ATOM 0 HA ARG A 26 0.081 3.528 -4.676 1.00 1.00 H new ATOM 0 HB2 ARG A 26 -2.069 4.993 -3.905 1.00 1.00 H new ATOM 0 HB3 ARG A 26 -0.827 5.793 -2.963 1.00 1.00 H new ATOM 0 HG2 ARG A 26 0.548 6.065 -5.047 1.00 1.00 H new ATOM 0 HG3 ARG A 26 -0.737 5.316 -5.974 1.00 1.00 H new ATOM 0 HD2 ARG A 26 -2.291 7.181 -5.218 1.00 1.00 H new ATOM 0 HD3 ARG A 26 -0.924 7.952 -4.439 1.00 1.00 H new ATOM 0 HE ARG A 26 0.118 7.651 -6.882 1.00 1.00 H new ATOM 0 HH11 ARG A 26 -3.027 9.056 -5.990 1.00 1.00 H new ATOM 0 HH12 ARG A 26 -3.184 9.876 -7.546 1.00 1.00 H new ATOM 0 HH21 ARG A 26 -0.203 8.550 -8.860 1.00 1.00 H new ATOM 0 HH22 ARG A 26 -1.598 9.591 -9.157 1.00 1.00 H new ATOM 400 N CYS A 27 2.144 3.858 -3.307 1.00 1.00 N ATOM 401 CA CYS A 27 3.357 4.130 -2.557 1.00 1.00 C ATOM 402 C CYS A 27 3.562 5.624 -2.762 1.00 1.00 C ATOM 403 O CYS A 27 3.659 6.088 -3.904 1.00 1.00 O ATOM 404 CB CYS A 27 4.536 3.282 -3.033 1.00 1.00 C ATOM 405 SG CYS A 27 4.402 1.572 -2.441 1.00 1.00 S ATOM 0 H CYS A 27 2.301 3.584 -4.277 1.00 1.00 H new ATOM 0 HA CYS A 27 3.280 3.868 -1.502 1.00 1.00 H new ATOM 0 HB2 CYS A 27 4.576 3.290 -4.122 1.00 1.00 H new ATOM 0 HB3 CYS A 27 5.469 3.720 -2.677 1.00 1.00 H new ATOM 410 N ILE A 28 3.494 6.392 -1.688 1.00 1.00 N ATOM 411 CA ILE A 28 3.747 7.814 -1.648 1.00 1.00 C ATOM 412 C ILE A 28 5.180 7.947 -1.132 1.00 1.00 C ATOM 413 O ILE A 28 5.468 7.627 0.023 1.00 1.00 O ATOM 414 CB ILE A 28 2.624 8.539 -0.872 1.00 1.00 C ATOM 415 CG1 ILE A 28 2.914 10.043 -0.760 1.00 1.00 C ATOM 416 CG2 ILE A 28 2.295 7.941 0.508 1.00 1.00 C ATOM 417 CD1 ILE A 28 2.967 10.757 -2.115 1.00 1.00 C ATOM 0 H ILE A 28 3.247 6.015 -0.773 1.00 1.00 H new ATOM 0 HA ILE A 28 3.705 8.322 -2.611 1.00 1.00 H new ATOM 0 HB ILE A 28 1.726 8.383 -1.470 1.00 1.00 H new ATOM 0 HG12 ILE A 28 2.146 10.508 -0.143 1.00 1.00 H new ATOM 0 HG13 ILE A 28 3.865 10.185 -0.246 1.00 1.00 H new ATOM 0 HG21 ILE A 28 1.496 8.518 0.973 1.00 1.00 H new ATOM 0 HG22 ILE A 28 1.974 6.906 0.389 1.00 1.00 H new ATOM 0 HG23 ILE A 28 3.182 7.975 1.140 1.00 1.00 H new ATOM 0 HD11 ILE A 28 3.176 11.816 -1.961 1.00 1.00 H new ATOM 0 HD12 ILE A 28 3.754 10.318 -2.727 1.00 1.00 H new ATOM 0 HD13 ILE A 28 2.009 10.646 -2.622 1.00 1.00 H new ATOM 429 N ASN A 29 6.076 8.356 -2.036 1.00 1.00 N ATOM 430 CA ASN A 29 7.528 8.427 -1.883 1.00 1.00 C ATOM 431 C ASN A 29 8.084 7.036 -1.569 1.00 1.00 C ATOM 432 O ASN A 29 8.574 6.366 -2.475 1.00 1.00 O ATOM 433 CB ASN A 29 7.984 9.521 -0.903 1.00 1.00 C ATOM 434 CG ASN A 29 9.502 9.714 -0.950 1.00 1.00 C ATOM 435 OD1 ASN A 29 10.274 8.804 -1.239 1.00 1.00 O ATOM 436 ND2 ASN A 29 9.975 10.915 -0.692 1.00 1.00 N ATOM 0 H ASN A 29 5.781 8.669 -2.961 1.00 1.00 H new ATOM 0 HA ASN A 29 7.958 8.744 -2.833 1.00 1.00 H new ATOM 0 HB2 ASN A 29 7.488 10.460 -1.147 1.00 1.00 H new ATOM 0 HB3 ASN A 29 7.681 9.254 0.109 1.00 1.00 H new ATOM 0 HD21 ASN A 29 10.980 11.087 -0.733 1.00 1.00 H new ATOM 0 HD22 ASN A 29 9.337 11.674 -0.452 1.00 1.00 H new ATOM 443 N LYS A 30 7.970 6.574 -0.323 1.00 1.00 N ATOM 444 CA LYS A 30 8.345 5.232 0.119 1.00 1.00 C ATOM 445 C LYS A 30 7.304 4.617 1.056 1.00 1.00 C ATOM 446 O LYS A 30 7.476 3.467 1.450 1.00 1.00 O ATOM 447 CB LYS A 30 9.742 5.295 0.776 1.00 1.00 C ATOM 448 CG LYS A 30 10.781 4.421 0.053 1.00 1.00 C ATOM 449 CD LYS A 30 11.150 3.144 0.822 1.00 1.00 C ATOM 450 CE LYS A 30 11.952 2.162 -0.047 1.00 1.00 C ATOM 451 NZ LYS A 30 13.158 2.763 -0.659 1.00 1.00 N ATOM 0 H LYS A 30 7.599 7.148 0.435 1.00 1.00 H new ATOM 0 HA LYS A 30 8.384 4.574 -0.749 1.00 1.00 H new ATOM 0 HB2 LYS A 30 10.087 6.329 0.786 1.00 1.00 H new ATOM 0 HB3 LYS A 30 9.665 4.975 1.815 1.00 1.00 H new ATOM 0 HG2 LYS A 30 10.393 4.146 -0.928 1.00 1.00 H new ATOM 0 HG3 LYS A 30 11.684 5.008 -0.115 1.00 1.00 H new ATOM 0 HD2 LYS A 30 11.733 3.408 1.704 1.00 1.00 H new ATOM 0 HD3 LYS A 30 10.241 2.657 1.175 1.00 1.00 H new ATOM 0 HE2 LYS A 30 12.251 1.310 0.563 1.00 1.00 H new ATOM 0 HE3 LYS A 30 11.307 1.778 -0.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 13.678 2.035 -1.189 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 12.875 3.526 -1.306 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 13.770 3.151 0.087 1.00 1.00 H new ATOM 465 N SER A 31 6.233 5.333 1.408 1.00 1.00 N ATOM 466 CA SER A 31 5.246 4.889 2.383 1.00 1.00 C ATOM 467 C SER A 31 4.054 4.317 1.619 1.00 1.00 C ATOM 468 O SER A 31 3.625 4.916 0.636 1.00 1.00 O ATOM 469 CB SER A 31 4.831 6.102 3.227 1.00 1.00 C ATOM 470 OG SER A 31 4.695 5.737 4.583 1.00 1.00 O ATOM 0 H SER A 31 6.028 6.252 1.015 1.00 1.00 H new ATOM 0 HA SER A 31 5.645 4.120 3.045 1.00 1.00 H new ATOM 0 HB2 SER A 31 5.576 6.892 3.130 1.00 1.00 H new ATOM 0 HB3 SER A 31 3.888 6.505 2.856 1.00 1.00 H new ATOM 0 HG SER A 31 4.432 6.521 5.108 1.00 1.00 H new ATOM 476 N CYS A 32 3.499 3.179 2.035 1.00 1.00 N ATOM 477 CA CYS A 32 2.280 2.660 1.430 1.00 1.00 C ATOM 478 C CYS A 32 1.064 3.406 1.965 1.00 1.00 C ATOM 479 O CYS A 32 1.032 3.787 3.136 1.00 1.00 O ATOM 480 CB CYS A 32 2.052 1.188 1.806 1.00 1.00 C ATOM 481 SG CYS A 32 3.413 0.046 1.507 1.00 1.00 S ATOM 0 H CYS A 32 3.876 2.602 2.787 1.00 1.00 H new ATOM 0 HA CYS A 32 2.397 2.780 0.353 1.00 1.00 H new ATOM 0 HB2 CYS A 32 1.800 1.144 2.866 1.00 1.00 H new ATOM 0 HB3 CYS A 32 1.182 0.829 1.256 1.00 1.00 H new ATOM 486 N LYS A 33 0.075 3.634 1.110 1.00 1.00 N ATOM 487 CA LYS A 33 -1.228 4.177 1.475 1.00 1.00 C ATOM 488 C LYS A 33 -2.225 3.410 0.615 1.00 1.00 C ATOM 489 O LYS A 33 -1.847 2.939 -0.458 1.00 1.00 O ATOM 490 CB LYS A 33 -1.316 5.697 1.257 1.00 1.00 C ATOM 491 CG LYS A 33 -1.011 6.540 2.507 1.00 1.00 C ATOM 492 CD LYS A 33 -2.030 6.279 3.630 1.00 1.00 C ATOM 493 CE LYS A 33 -1.998 7.367 4.704 1.00 1.00 C ATOM 494 NZ LYS A 33 -2.921 7.042 5.806 1.00 1.00 N ATOM 0 H LYS A 33 0.160 3.440 0.112 1.00 1.00 H new ATOM 0 HA LYS A 33 -1.431 4.052 2.539 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.621 5.979 0.466 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -2.317 5.943 0.904 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -0.007 6.310 2.865 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -1.021 7.598 2.244 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -3.031 6.222 3.203 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.823 5.312 4.089 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -0.985 7.472 5.091 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -2.272 8.326 4.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -2.883 7.794 6.524 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -3.890 6.965 5.436 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -2.642 6.138 6.237 1.00 1.00 H new ATOM 508 N CYS A 34 -3.485 3.300 1.017 1.00 1.00 N ATOM 509 CA CYS A 34 -4.527 2.702 0.194 1.00 1.00 C ATOM 510 C CYS A 34 -5.718 3.631 0.147 1.00 1.00 C ATOM 511 O CYS A 34 -5.944 4.405 1.077 1.00 1.00 O ATOM 512 CB CYS A 34 -4.880 1.296 0.681 1.00 1.00 C ATOM 513 SG CYS A 34 -3.482 0.157 0.528 1.00 1.00 S ATOM 0 H CYS A 34 -3.813 3.624 1.927 1.00 1.00 H new ATOM 0 HA CYS A 34 -4.164 2.575 -0.826 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -5.198 1.342 1.722 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -5.724 0.914 0.106 1.00 1.00 H new ATOM 518 N TYR A 35 -6.463 3.563 -0.956 1.00 1.00 N ATOM 519 CA TYR A 35 -7.550 4.493 -1.233 1.00 1.00 C ATOM 520 C TYR A 35 -8.853 3.787 -1.591 1.00 1.00 C ATOM 521 O TYR A 35 -9.748 4.396 -2.182 1.00 1.00 O ATOM 522 CB TYR A 35 -7.064 5.514 -2.264 1.00 1.00 C ATOM 523 CG TYR A 35 -5.904 6.325 -1.728 1.00 1.00 C ATOM 524 CD1 TYR A 35 -6.156 7.407 -0.863 1.00 1.00 C ATOM 525 CD2 TYR A 35 -4.580 5.947 -2.019 1.00 1.00 C ATOM 526 CE1 TYR A 35 -5.091 8.121 -0.291 1.00 1.00 C ATOM 527 CE2 TYR A 35 -3.511 6.666 -1.456 1.00 1.00 C ATOM 528 CZ TYR A 35 -3.762 7.755 -0.592 1.00 1.00 C ATOM 529 OH TYR A 35 -2.717 8.439 -0.056 1.00 1.00 O ATOM 0 H TYR A 35 -6.327 2.859 -1.682 1.00 1.00 H new ATOM 0 HA TYR A 35 -7.813 5.040 -0.328 1.00 1.00 H new ATOM 0 HB2 TYR A 35 -6.760 4.998 -3.175 1.00 1.00 H new ATOM 0 HB3 TYR A 35 -7.883 6.181 -2.533 1.00 1.00 H new ATOM 0 HD1 TYR A 35 -7.174 7.689 -0.638 1.00 1.00 H new ATOM 0 HD2 TYR A 35 -4.386 5.109 -2.672 1.00 1.00 H new ATOM 0 HE1 TYR A 35 -5.288 8.947 0.377 1.00 1.00 H new ATOM 0 HE2 TYR A 35 -2.494 6.385 -1.685 1.00 1.00 H new ATOM 0 HH TYR A 35 -1.875 8.049 -0.371 1.00 1.00 H new ATOM 539 N GLY A 36 -8.950 2.497 -1.276 1.00 1.00 N ATOM 540 CA GLY A 36 -10.165 1.715 -1.393 1.00 1.00 C ATOM 541 C GLY A 36 -10.911 1.851 -0.066 1.00 1.00 C ATOM 542 O GLY A 36 -10.772 2.867 0.631 1.00 1.00 O ATOM 0 H GLY A 36 -8.159 1.958 -0.923 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -10.778 2.075 -2.219 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -9.933 0.670 -1.600 1.00 1.00 H new ATOM 546 N CYS A 37 -11.730 0.860 0.278 1.00 1.00 N ATOM 547 CA CYS A 37 -12.378 0.780 1.579 1.00 1.00 C ATOM 548 C CYS A 37 -11.311 0.683 2.677 1.00 1.00 C ATOM 549 O CYS A 37 -10.142 0.392 2.400 1.00 1.00 O ATOM 550 CB CYS A 37 -13.342 -0.413 1.624 1.00 1.00 C ATOM 551 SG CYS A 37 -12.644 -2.068 1.368 1.00 1.00 S ATOM 0 H CYS A 37 -11.962 0.086 -0.344 1.00 1.00 H new ATOM 0 HA CYS A 37 -12.966 1.682 1.750 1.00 1.00 H new ATOM 0 HB2 CYS A 37 -13.841 -0.405 2.593 1.00 1.00 H new ATOM 0 HB3 CYS A 37 -14.111 -0.252 0.868 1.00 1.00 H new ATOM 556 N THR A 38 -11.708 0.937 3.918 1.00 1.00 N ATOM 557 CA THR A 38 -10.866 0.888 5.103 1.00 1.00 C ATOM 558 C THR A 38 -11.649 0.163 6.192 1.00 1.00 C ATOM 559 O THR A 38 -12.881 -0.012 6.044 1.00 1.00 O ATOM 560 CB THR A 38 -10.409 2.319 5.448 1.00 1.00 C ATOM 561 OG1 THR A 38 -9.279 2.313 6.296 1.00 1.00 O ATOM 562 CG2 THR A 38 -11.511 3.188 6.062 1.00 1.00 C ATOM 563 OXT THR A 38 -11.022 -0.330 7.150 1.00 1.00 O ATOM 0 H THR A 38 -12.671 1.195 4.134 1.00 1.00 H new ATOM 0 HA THR A 38 -9.944 0.324 4.960 1.00 1.00 H new ATOM 0 HB THR A 38 -10.143 2.769 4.491 1.00 1.00 H new ATOM 0 HG1 THR A 38 -9.014 3.235 6.494 1.00 1.00 H new ATOM 0 HG21 THR A 38 -11.114 4.180 6.278 1.00 1.00 H new ATOM 0 HG22 THR A 38 -12.340 3.274 5.360 1.00 1.00 H new ATOM 0 HG23 THR A 38 -11.864 2.729 6.986 1.00 1.00 H new TER 571 THR A 38