USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 361 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 LYS N :NH3+ -179:sc=-0.00111 (180deg=-0.00806) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 28 SER OG : rot 180:sc= -0.309 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.2) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.987 0.700 -5.341 1.00 0.00 N ATOM 2 CA LYS A 1 -10.266 1.312 -5.755 1.00 0.00 C ATOM 3 C LYS A 1 -11.380 0.248 -5.590 1.00 0.00 C ATOM 4 O LYS A 1 -11.441 -0.722 -6.354 1.00 0.00 O ATOM 5 CB LYS A 1 -10.114 1.878 -7.194 1.00 0.00 C ATOM 6 CG LYS A 1 -11.366 2.514 -7.849 1.00 0.00 C ATOM 7 CD LYS A 1 -12.020 3.717 -7.137 1.00 0.00 C ATOM 8 CE LYS A 1 -11.136 4.977 -7.057 1.00 0.00 C ATOM 9 NZ LYS A 1 -11.882 6.126 -6.513 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.223 1.401 -5.426 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.057 0.383 -4.353 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.779 -0.115 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 1 -10.548 2.162 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -9.324 2.629 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.771 1.069 -7.839 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.093 2.829 -8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.122 1.735 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.944 3.971 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.295 3.418 -6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -10.268 4.775 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.760 5.223 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.258 6.957 -6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.696 6.333 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -12.219 5.899 -5.556 1.00 0.00 H new ATOM 24 N LYS A 2 -12.265 0.462 -4.593 1.00 0.00 N ATOM 25 CA LYS A 2 -13.460 -0.392 -4.315 1.00 0.00 C ATOM 26 C LYS A 2 -13.041 -1.762 -3.704 1.00 0.00 C ATOM 27 O LYS A 2 -12.506 -2.626 -4.407 1.00 0.00 O ATOM 28 CB LYS A 2 -14.473 -0.548 -5.491 1.00 0.00 C ATOM 29 CG LYS A 2 -14.981 0.747 -6.170 1.00 0.00 C ATOM 30 CD LYS A 2 -15.761 1.718 -5.253 1.00 0.00 C ATOM 31 CE LYS A 2 -16.222 3.022 -5.935 1.00 0.00 C ATOM 32 NZ LYS A 2 -17.302 2.817 -6.920 1.00 0.00 N ATOM 0 H LYS A 2 -12.176 1.243 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.030 0.163 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.008 -1.169 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.339 -1.095 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.125 1.278 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.623 0.470 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.636 1.201 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.133 1.973 -4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.564 3.721 -5.172 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.369 3.485 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.565 3.731 -7.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.973 2.173 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.130 2.403 -6.446 1.00 0.00 H new ATOM 45 N LYS A 3 -13.256 -1.925 -2.381 1.00 0.00 N ATOM 46 CA LYS A 3 -12.724 -3.063 -1.568 1.00 0.00 C ATOM 47 C LYS A 3 -11.169 -2.991 -1.501 1.00 0.00 C ATOM 48 O LYS A 3 -10.466 -3.695 -2.227 1.00 0.00 O ATOM 49 CB LYS A 3 -13.270 -4.475 -1.950 1.00 0.00 C ATOM 50 CG LYS A 3 -14.805 -4.665 -1.971 1.00 0.00 C ATOM 51 CD LYS A 3 -15.507 -4.488 -0.605 1.00 0.00 C ATOM 52 CE LYS A 3 -17.022 -4.774 -0.614 1.00 0.00 C ATOM 53 NZ LYS A 3 -17.805 -3.768 -1.358 1.00 0.00 N ATOM 0 H LYS A 3 -13.809 -1.267 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.120 -2.931 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.886 -4.728 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.851 -5.198 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.234 -3.954 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.027 -5.663 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.031 -5.148 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.346 -3.467 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.196 -5.756 -1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.382 -4.816 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -18.814 -4.019 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.667 -2.832 -0.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.487 -3.743 -2.348 1.00 0.00 H new ATOM 66 N CYS A 4 -10.677 -2.118 -0.607 1.00 0.00 N ATOM 67 CA CYS A 4 -9.287 -1.669 -0.544 1.00 0.00 C ATOM 68 C CYS A 4 -8.682 -1.600 0.900 1.00 0.00 C ATOM 69 O CYS A 4 -9.272 -2.019 1.902 1.00 0.00 O ATOM 70 CB CYS A 4 -9.484 -0.255 -1.077 1.00 0.00 C ATOM 71 SG CYS A 4 -10.674 0.783 -0.234 1.00 0.00 S ATOM 0 H CYS A 4 -11.261 -1.694 0.114 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.597 -2.330 -1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.519 0.251 -1.054 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.781 -0.327 -2.123 1.00 0.00 H new ATOM 76 N ILE A 5 -7.466 -1.019 0.946 1.00 0.00 N ATOM 77 CA ILE A 5 -6.744 -0.618 2.157 1.00 0.00 C ATOM 78 C ILE A 5 -6.903 0.937 2.197 1.00 0.00 C ATOM 79 O ILE A 5 -6.283 1.649 1.395 1.00 0.00 O ATOM 80 CB ILE A 5 -5.243 -1.057 2.002 1.00 0.00 C ATOM 81 CG1 ILE A 5 -5.032 -2.547 1.563 1.00 0.00 C ATOM 82 CG2 ILE A 5 -4.474 -0.642 3.259 1.00 0.00 C ATOM 83 CD1 ILE A 5 -3.923 -3.409 2.184 1.00 0.00 C ATOM 0 H ILE A 5 -6.941 -0.810 0.097 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.113 -1.070 3.077 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.819 -0.524 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.974 -3.067 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.865 -2.541 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.430 -0.942 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.531 0.440 3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.912 -1.128 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.947 -4.406 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.954 -2.950 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.080 -3.484 3.260 1.00 0.00 H new ATOM 95 N ALA A 6 -7.695 1.451 3.153 1.00 0.00 N ATOM 96 CA ALA A 6 -7.796 2.917 3.398 1.00 0.00 C ATOM 97 C ALA A 6 -6.878 3.328 4.586 1.00 0.00 C ATOM 98 O ALA A 6 -7.333 3.673 5.681 1.00 0.00 O ATOM 99 CB ALA A 6 -9.280 3.281 3.577 1.00 0.00 C ATOM 0 H ALA A 6 -8.276 0.884 3.771 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.431 3.492 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.373 4.352 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.831 3.016 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.689 2.733 4.426 1.00 0.00 H new ATOM 105 N LYS A 7 -5.559 3.253 4.329 1.00 0.00 N ATOM 106 CA LYS A 7 -4.496 3.457 5.338 1.00 0.00 C ATOM 107 C LYS A 7 -3.183 3.647 4.535 1.00 0.00 C ATOM 108 O LYS A 7 -2.743 2.762 3.790 1.00 0.00 O ATOM 109 CB LYS A 7 -4.392 2.257 6.326 1.00 0.00 C ATOM 110 CG LYS A 7 -3.354 2.435 7.457 1.00 0.00 C ATOM 111 CD LYS A 7 -3.274 1.216 8.400 1.00 0.00 C ATOM 112 CE LYS A 7 -2.191 1.318 9.492 1.00 0.00 C ATOM 113 NZ LYS A 7 -2.504 2.316 10.533 1.00 0.00 N ATOM 0 H LYS A 7 -5.193 3.046 3.400 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.711 4.324 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.371 2.088 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.141 1.360 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.373 2.612 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.607 3.321 8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.243 1.081 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.086 0.323 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.064 0.342 9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.239 1.574 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.738 2.336 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.598 3.255 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.397 2.061 11.001 1.00 0.00 H new ATOM 126 N ASP A 8 -2.529 4.797 4.758 1.00 0.00 N ATOM 127 CA ASP A 8 -1.224 5.136 4.195 1.00 0.00 C ATOM 128 C ASP A 8 -0.110 4.363 4.954 1.00 0.00 C ATOM 129 O ASP A 8 0.054 4.534 6.166 1.00 0.00 O ATOM 130 CB ASP A 8 -1.109 6.663 4.432 1.00 0.00 C ATOM 131 CG ASP A 8 -2.065 7.607 3.677 1.00 0.00 C ATOM 132 OD1 ASP A 8 -2.917 8.293 4.240 1.00 0.00 O ATOM 133 OD2 ASP A 8 -1.857 7.591 2.322 1.00 0.00 O ATOM 0 H ASP A 8 -2.909 5.534 5.352 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.119 4.874 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.243 6.842 5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.090 6.959 4.185 1.00 0.00 H new ATOM 139 N TYR A 9 0.657 3.537 4.223 1.00 0.00 N ATOM 140 CA TYR A 9 1.639 2.574 4.779 1.00 0.00 C ATOM 141 C TYR A 9 0.981 1.265 5.356 1.00 0.00 C ATOM 142 O TYR A 9 1.513 0.635 6.280 1.00 0.00 O ATOM 143 CB TYR A 9 2.723 3.091 5.779 1.00 0.00 C ATOM 144 CG TYR A 9 3.420 4.447 5.586 1.00 0.00 C ATOM 145 CD1 TYR A 9 4.533 4.555 4.747 1.00 0.00 C ATOM 146 CD2 TYR A 9 3.014 5.563 6.327 1.00 0.00 C ATOM 147 CE1 TYR A 9 5.208 5.767 4.629 1.00 0.00 C ATOM 148 CE2 TYR A 9 3.680 6.777 6.202 1.00 0.00 C ATOM 149 CZ TYR A 9 4.785 6.877 5.359 1.00 0.00 C ATOM 150 OH TYR A 9 5.433 8.076 5.217 1.00 0.00 O ATOM 0 H TYR A 9 0.615 3.515 3.204 1.00 0.00 H new ATOM 0 HA TYR A 9 2.197 2.359 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.258 3.112 6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.507 2.335 5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.871 3.695 4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.175 5.480 7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.061 5.847 3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.342 7.640 6.757 1.00 0.00 H new ATOM 0 HH TYR A 9 5.012 8.746 5.795 1.00 0.00 H new ATOM 160 N GLY A 10 -0.173 0.849 4.814 1.00 0.00 N ATOM 161 CA GLY A 10 -0.970 -0.244 5.386 1.00 0.00 C ATOM 162 C GLY A 10 -0.724 -1.583 4.694 1.00 0.00 C ATOM 163 O GLY A 10 -1.156 -1.780 3.561 1.00 0.00 O ATOM 0 H GLY A 10 -0.577 1.258 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.737 -0.340 6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.028 0.008 5.314 1.00 0.00 H new ATOM 167 N ARG A 11 -0.204 -2.470 5.546 1.00 0.00 N ATOM 168 CA ARG A 11 0.187 -3.878 5.381 1.00 0.00 C ATOM 169 C ARG A 11 -0.487 -4.639 4.231 1.00 0.00 C ATOM 170 O ARG A 11 -1.480 -5.366 4.330 1.00 0.00 O ATOM 171 CB ARG A 11 0.067 -4.585 6.764 1.00 0.00 C ATOM 172 CG ARG A 11 0.599 -6.035 6.873 1.00 0.00 C ATOM 173 CD ARG A 11 2.068 -6.226 6.448 1.00 0.00 C ATOM 174 NE ARG A 11 2.505 -7.639 6.688 1.00 0.00 N ATOM 175 CZ ARG A 11 3.404 -8.141 7.440 1.00 0.00 C ATOM 176 NH1 ARG A 11 4.198 -7.407 8.213 1.00 0.00 N ATOM 177 NH2 ARG A 11 3.550 -9.453 7.453 1.00 0.00 N ATOM 0 H ARG A 11 -0.021 -2.176 6.505 1.00 0.00 H new ATOM 0 HA ARG A 11 1.225 -3.888 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.594 -3.977 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.985 -4.590 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.489 -6.369 7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.028 -6.682 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.182 -5.978 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.706 -5.542 7.007 1.00 0.00 H new ATOM 0 HE ARG A 11 1.985 -8.330 6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.103 -6.391 8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.902 -7.859 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.951 -10.039 6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.261 -9.881 8.045 1.00 0.00 H new ATOM 190 N CYS A 12 0.163 -4.329 3.133 1.00 0.00 N ATOM 191 CA CYS A 12 -0.311 -4.736 1.779 1.00 0.00 C ATOM 192 C CYS A 12 0.161 -6.165 1.391 1.00 0.00 C ATOM 193 O CYS A 12 0.793 -6.898 2.162 1.00 0.00 O ATOM 194 CB CYS A 12 -0.044 -3.622 0.748 1.00 0.00 C ATOM 195 SG CYS A 12 1.665 -3.551 0.237 1.00 0.00 S ATOM 0 H CYS A 12 1.031 -3.793 3.125 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.396 -4.840 1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.674 -3.784 -0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.332 -2.661 1.175 1.00 0.00 H new ATOM 200 N LYS A 13 -0.219 -6.565 0.177 1.00 0.00 N ATOM 201 CA LYS A 13 0.303 -7.795 -0.465 1.00 0.00 C ATOM 202 C LYS A 13 0.397 -7.557 -2.000 1.00 0.00 C ATOM 203 O LYS A 13 -0.318 -6.743 -2.599 1.00 0.00 O ATOM 204 CB LYS A 13 -0.601 -9.008 -0.097 1.00 0.00 C ATOM 205 CG LYS A 13 0.011 -10.397 -0.391 1.00 0.00 C ATOM 206 CD LYS A 13 -0.971 -11.548 -0.114 1.00 0.00 C ATOM 207 CE LYS A 13 -0.425 -12.956 -0.424 1.00 0.00 C ATOM 208 NZ LYS A 13 0.605 -13.404 0.533 1.00 0.00 N ATOM 0 H LYS A 13 -0.893 -6.056 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 13 1.304 -8.029 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.842 -8.952 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.540 -8.920 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.327 -10.437 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.905 -10.532 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.265 -11.511 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.873 -11.386 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.250 -13.668 -0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.005 -12.962 -1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.932 -14.356 0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.409 -12.744 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.202 -13.428 1.491 1.00 0.00 H new ATOM 221 N TRP A 14 1.299 -8.327 -2.626 1.00 0.00 N ATOM 222 CA TRP A 14 1.398 -8.422 -4.106 1.00 0.00 C ATOM 223 C TRP A 14 0.557 -9.670 -4.491 1.00 0.00 C ATOM 224 O TRP A 14 0.983 -10.818 -4.320 1.00 0.00 O ATOM 225 CB TRP A 14 2.877 -8.506 -4.560 1.00 0.00 C ATOM 226 CG TRP A 14 3.804 -7.318 -4.223 1.00 0.00 C ATOM 227 CD1 TRP A 14 3.460 -5.965 -3.933 1.00 0.00 C ATOM 228 CD2 TRP A 14 5.188 -7.374 -4.125 1.00 0.00 C ATOM 229 NE1 TRP A 14 4.607 -5.201 -3.664 1.00 0.00 N ATOM 230 CE2 TRP A 14 5.661 -6.081 -3.796 1.00 0.00 C ATOM 231 CE3 TRP A 14 6.103 -8.451 -4.279 1.00 0.00 C ATOM 232 CZ2 TRP A 14 7.048 -5.849 -3.630 1.00 0.00 C ATOM 233 CZ3 TRP A 14 7.464 -8.201 -4.098 1.00 0.00 C ATOM 234 CH2 TRP A 14 7.930 -6.920 -3.780 1.00 0.00 C ATOM 0 H TRP A 14 1.981 -8.902 -2.132 1.00 0.00 H new ATOM 0 HA TRP A 14 1.012 -7.538 -4.613 1.00 0.00 H new ATOM 0 HB2 TRP A 14 3.311 -9.404 -4.121 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.888 -8.643 -5.641 1.00 0.00 H new ATOM 0 HD1 TRP A 14 2.451 -5.579 -3.922 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.651 -4.211 -3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.753 -9.441 -4.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 7.416 -4.862 -3.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 8.171 -9.011 -4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 14 8.990 -6.758 -3.649 1.00 0.00 H new ATOM 245 N GLY A 15 -0.673 -9.398 -4.946 1.00 0.00 N ATOM 246 CA GLY A 15 -1.733 -10.424 -5.095 1.00 0.00 C ATOM 247 C GLY A 15 -2.715 -10.439 -3.893 1.00 0.00 C ATOM 248 O GLY A 15 -2.942 -11.492 -3.292 1.00 0.00 O ATOM 0 H GLY A 15 -0.969 -8.462 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.290 -10.237 -6.013 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.272 -11.407 -5.196 1.00 0.00 H new ATOM 252 N GLY A 16 -3.296 -9.269 -3.578 1.00 0.00 N ATOM 253 CA GLY A 16 -4.210 -9.079 -2.434 1.00 0.00 C ATOM 254 C GLY A 16 -5.230 -7.975 -2.732 1.00 0.00 C ATOM 255 O GLY A 16 -5.702 -7.775 -3.858 1.00 0.00 O ATOM 0 H GLY A 16 -3.143 -8.416 -4.116 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.730 -10.013 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.637 -8.821 -1.544 1.00 0.00 H new ATOM 259 N THR A 17 -5.526 -7.240 -1.659 1.00 0.00 N ATOM 260 CA THR A 17 -6.335 -5.985 -1.724 1.00 0.00 C ATOM 261 C THR A 17 -5.586 -4.888 -2.573 1.00 0.00 C ATOM 262 O THR A 17 -4.390 -4.686 -2.327 1.00 0.00 O ATOM 263 CB THR A 17 -6.733 -5.390 -0.327 1.00 0.00 C ATOM 264 OG1 THR A 17 -6.611 -6.317 0.749 1.00 0.00 O ATOM 265 CG2 THR A 17 -8.151 -4.831 -0.300 1.00 0.00 C ATOM 0 H THR A 17 -5.221 -7.482 -0.716 1.00 0.00 H new ATOM 0 HA THR A 17 -7.269 -6.273 -2.207 1.00 0.00 H new ATOM 0 HB THR A 17 -6.014 -4.584 -0.184 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.872 -5.882 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.367 -4.434 0.692 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.242 -4.033 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.860 -5.625 -0.535 1.00 0.00 H new ATOM 273 N PRO A 18 -6.210 -4.168 -3.548 1.00 0.00 N ATOM 274 CA PRO A 18 -5.532 -3.128 -4.386 1.00 0.00 C ATOM 275 C PRO A 18 -4.704 -1.959 -3.788 1.00 0.00 C ATOM 276 O PRO A 18 -3.689 -1.522 -4.335 1.00 0.00 O ATOM 277 CB PRO A 18 -6.714 -2.572 -5.229 1.00 0.00 C ATOM 278 CG PRO A 18 -7.926 -2.839 -4.330 1.00 0.00 C ATOM 279 CD PRO A 18 -7.643 -4.268 -3.887 1.00 0.00 C ATOM 0 HA PRO A 18 -4.702 -3.636 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.595 -1.510 -5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.802 -3.082 -6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.977 -2.148 -3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.869 -2.753 -4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.251 -4.565 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.832 -4.992 -4.679 1.00 0.00 H new ATOM 287 N CYS A 19 -5.268 -1.479 -2.693 1.00 0.00 N ATOM 288 CA CYS A 19 -4.972 -0.170 -2.047 1.00 0.00 C ATOM 289 C CYS A 19 -5.974 0.837 -2.704 1.00 0.00 C ATOM 290 O CYS A 19 -6.225 0.819 -3.917 1.00 0.00 O ATOM 291 CB CYS A 19 -3.530 0.371 -2.042 1.00 0.00 C ATOM 292 SG CYS A 19 -2.302 -0.864 -1.551 1.00 0.00 S ATOM 0 H CYS A 19 -5.984 -2.003 -2.189 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.095 -0.316 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.285 0.741 -3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.471 1.221 -1.363 1.00 0.00 H new ATOM 297 N CYS A 20 -6.530 1.735 -1.891 1.00 0.00 N ATOM 298 CA CYS A 20 -7.759 2.492 -2.267 1.00 0.00 C ATOM 299 C CYS A 20 -7.659 3.790 -3.106 1.00 0.00 C ATOM 300 O CYS A 20 -8.209 3.835 -4.211 1.00 0.00 O ATOM 301 CB CYS A 20 -8.601 2.696 -0.983 1.00 0.00 C ATOM 302 SG CYS A 20 -10.357 2.448 -1.228 1.00 0.00 S ATOM 0 H CYS A 20 -6.163 1.967 -0.968 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.235 1.854 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.249 2.007 -0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.434 3.705 -0.606 1.00 0.00 H new ATOM 307 N ARG A 21 -7.028 4.846 -2.562 1.00 0.00 N ATOM 308 CA ARG A 21 -7.146 6.224 -3.112 1.00 0.00 C ATOM 309 C ARG A 21 -5.732 6.815 -3.342 1.00 0.00 C ATOM 310 O ARG A 21 -5.205 7.583 -2.529 1.00 0.00 O ATOM 311 CB ARG A 21 -8.022 7.074 -2.136 1.00 0.00 C ATOM 312 CG ARG A 21 -9.461 6.570 -1.838 1.00 0.00 C ATOM 313 CD ARG A 21 -10.454 6.755 -3.004 1.00 0.00 C ATOM 314 NE ARG A 21 -11.838 6.372 -2.621 1.00 0.00 N ATOM 315 CZ ARG A 21 -12.400 5.165 -2.831 1.00 0.00 C ATOM 316 NH1 ARG A 21 -11.780 4.148 -3.421 1.00 0.00 N ATOM 317 NH2 ARG A 21 -13.642 4.978 -2.423 1.00 0.00 N ATOM 0 H ARG A 21 -6.428 4.779 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.641 6.225 -4.083 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.490 7.152 -1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.097 8.082 -2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.416 5.512 -1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.844 7.096 -0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.442 7.795 -3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.133 6.152 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.410 7.081 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.819 4.256 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.265 3.260 -3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.148 5.736 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.096 4.076 -2.567 1.00 0.00 H new ATOM 330 N GLY A 22 -5.127 6.424 -4.477 1.00 0.00 N ATOM 331 CA GLY A 22 -3.767 6.868 -4.865 1.00 0.00 C ATOM 332 C GLY A 22 -2.632 6.242 -4.033 1.00 0.00 C ATOM 333 O GLY A 22 -1.984 6.951 -3.262 1.00 0.00 O ATOM 0 H GLY A 22 -5.561 5.794 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.606 6.628 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.712 7.953 -4.774 1.00 0.00 H new ATOM 337 N ARG A 23 -2.434 4.920 -4.172 1.00 0.00 N ATOM 338 CA ARG A 23 -1.538 4.127 -3.291 1.00 0.00 C ATOM 339 C ARG A 23 -0.766 3.054 -4.103 1.00 0.00 C ATOM 340 O ARG A 23 -1.181 2.597 -5.176 1.00 0.00 O ATOM 341 CB ARG A 23 -2.327 3.518 -2.105 1.00 0.00 C ATOM 342 CG ARG A 23 -2.471 4.446 -0.884 1.00 0.00 C ATOM 343 CD ARG A 23 -3.458 3.906 0.169 1.00 0.00 C ATOM 344 NE ARG A 23 -3.765 4.930 1.199 1.00 0.00 N ATOM 345 CZ ARG A 23 -4.972 5.496 1.401 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.061 5.209 0.695 1.00 0.00 N ATOM 347 NH2 ARG A 23 -5.086 6.392 2.361 1.00 0.00 N ATOM 0 H ARG A 23 -2.888 4.364 -4.897 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.791 4.797 -2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.322 3.240 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.832 2.600 -1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.494 4.583 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.806 5.428 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.380 3.593 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.035 3.022 0.647 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.000 5.230 1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.015 4.520 -0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.943 5.678 0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.274 6.639 2.927 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.986 6.838 2.538 1.00 0.00 H new ATOM 360 N GLY A 24 0.378 2.652 -3.531 1.00 0.00 N ATOM 361 CA GLY A 24 1.251 1.620 -4.108 1.00 0.00 C ATOM 362 C GLY A 24 0.990 0.236 -3.495 1.00 0.00 C ATOM 363 O GLY A 24 -0.135 -0.263 -3.408 1.00 0.00 O ATOM 0 H GLY A 24 0.725 3.035 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.095 1.574 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.293 1.896 -3.948 1.00 0.00 H new ATOM 367 N CYS A 25 2.120 -0.339 -3.118 1.00 0.00 N ATOM 368 CA CYS A 25 2.251 -1.606 -2.366 1.00 0.00 C ATOM 369 C CYS A 25 3.743 -1.949 -2.532 1.00 0.00 C ATOM 370 O CYS A 25 4.170 -2.332 -3.627 1.00 0.00 O ATOM 371 CB CYS A 25 1.391 -2.844 -2.727 1.00 0.00 C ATOM 372 SG CYS A 25 1.812 -4.211 -1.638 1.00 0.00 S ATOM 0 H CYS A 25 3.027 0.076 -3.333 1.00 0.00 H new ATOM 0 HA CYS A 25 1.867 -1.412 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.332 -2.604 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.562 -3.128 -3.766 1.00 0.00 H new ATOM 377 N ILE A 26 4.522 -1.802 -1.450 1.00 0.00 N ATOM 378 CA ILE A 26 5.924 -2.293 -1.390 1.00 0.00 C ATOM 379 C ILE A 26 5.984 -3.287 -0.206 1.00 0.00 C ATOM 380 O ILE A 26 5.496 -3.015 0.899 1.00 0.00 O ATOM 381 CB ILE A 26 6.997 -1.186 -1.179 1.00 0.00 C ATOM 382 CG1 ILE A 26 6.927 0.035 -2.138 1.00 0.00 C ATOM 383 CG2 ILE A 26 8.424 -1.772 -1.067 1.00 0.00 C ATOM 384 CD1 ILE A 26 6.910 -0.210 -3.657 1.00 0.00 C ATOM 0 H ILE A 26 4.210 -1.344 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 26 6.165 -2.740 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 26 6.730 -0.754 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.030 0.601 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.781 0.676 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.139 -0.963 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.471 -2.456 -0.219 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.669 -2.311 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.859 0.745 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.818 -0.736 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.040 -0.813 -3.919 1.00 0.00 H new ATOM 396 N CYS A 27 6.633 -4.418 -0.511 1.00 0.00 N ATOM 397 CA CYS A 27 6.945 -5.494 0.465 1.00 0.00 C ATOM 398 C CYS A 27 8.478 -5.525 0.807 1.00 0.00 C ATOM 399 O CYS A 27 9.256 -4.684 0.340 1.00 0.00 O ATOM 400 CB CYS A 27 6.360 -6.855 0.019 1.00 0.00 C ATOM 401 SG CYS A 27 4.616 -6.725 -0.412 1.00 0.00 S ATOM 0 H CYS A 27 6.965 -4.623 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 27 6.444 -5.267 1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.920 -7.227 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.483 -7.584 0.820 1.00 0.00 H new ATOM 406 N SER A 28 8.931 -6.478 1.647 1.00 0.00 N ATOM 407 CA SER A 28 10.326 -6.502 2.173 1.00 0.00 C ATOM 408 C SER A 28 11.292 -7.304 1.262 1.00 0.00 C ATOM 409 O SER A 28 11.005 -7.728 0.137 1.00 0.00 O ATOM 410 CB SER A 28 10.227 -7.028 3.640 1.00 0.00 C ATOM 411 OG SER A 28 11.451 -7.221 4.342 1.00 0.00 O ATOM 0 H SER A 28 8.353 -7.249 1.982 1.00 0.00 H new ATOM 0 HA SER A 28 10.773 -5.508 2.174 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.616 -6.328 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.692 -7.978 3.624 1.00 0.00 H new ATOM 0 HG SER A 28 11.262 -7.549 5.246 1.00 0.00 H new ATOM 417 N ILE A 29 12.487 -7.423 1.834 1.00 0.00 N ATOM 418 CA ILE A 29 13.546 -8.377 1.368 1.00 0.00 C ATOM 419 C ILE A 29 13.420 -9.712 2.181 1.00 0.00 C ATOM 420 O ILE A 29 14.293 -10.138 2.940 1.00 0.00 O ATOM 421 CB ILE A 29 14.978 -7.729 1.333 1.00 0.00 C ATOM 422 CG1 ILE A 29 15.414 -6.809 2.518 1.00 0.00 C ATOM 423 CG2 ILE A 29 15.136 -6.944 0.011 1.00 0.00 C ATOM 424 CD1 ILE A 29 15.472 -7.457 3.907 1.00 0.00 C ATOM 0 H ILE A 29 12.771 -6.867 2.640 1.00 0.00 H new ATOM 0 HA ILE A 29 13.385 -8.633 0.321 1.00 0.00 H new ATOM 0 HB ILE A 29 15.642 -8.588 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 29 16.400 -6.404 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 29 14.726 -5.965 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 29 16.126 -6.489 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 29 15.017 -7.624 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 29 14.376 -6.164 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 29 15.787 -6.716 4.641 1.00 0.00 H new ATOM 0 HD12 ILE A 29 14.485 -7.835 4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 29 16.185 -8.281 3.894 1.00 0.00 H new ATOM 436 N MET A 30 12.260 -10.344 1.958 1.00 0.00 N ATOM 437 CA MET A 30 11.721 -11.492 2.734 1.00 0.00 C ATOM 438 C MET A 30 10.321 -11.900 2.194 1.00 0.00 C ATOM 439 O MET A 30 10.067 -13.093 2.002 1.00 0.00 O ATOM 440 CB MET A 30 11.581 -11.259 4.277 1.00 0.00 C ATOM 441 CG MET A 30 11.287 -12.518 5.111 1.00 0.00 C ATOM 442 SD MET A 30 12.650 -13.692 4.973 1.00 0.00 S ATOM 443 CE MET A 30 12.041 -15.023 6.027 1.00 0.00 C ATOM 0 H MET A 30 11.637 -10.064 1.201 1.00 0.00 H new ATOM 0 HA MET A 30 12.467 -12.275 2.596 1.00 0.00 H new ATOM 0 HB2 MET A 30 12.503 -10.808 4.644 1.00 0.00 H new ATOM 0 HB3 MET A 30 10.783 -10.537 4.447 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.138 -12.244 6.155 1.00 0.00 H new ATOM 0 HG3 MET A 30 10.362 -12.982 4.768 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.771 -15.832 6.050 1.00 0.00 H new ATOM 0 HE2 MET A 30 11.887 -14.645 7.038 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.097 -15.397 5.632 1.00 0.00 H new ATOM 453 N GLY A 31 9.408 -10.922 2.022 1.00 0.00 N ATOM 454 CA GLY A 31 7.972 -11.213 1.884 1.00 0.00 C ATOM 455 C GLY A 31 7.218 -11.451 3.238 1.00 0.00 C ATOM 456 O GLY A 31 6.123 -12.017 3.220 1.00 0.00 O ATOM 0 H GLY A 31 9.641 -9.930 1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.496 -10.384 1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.853 -12.097 1.257 1.00 0.00 H new ATOM 460 N THR A 32 7.805 -11.015 4.389 1.00 0.00 N ATOM 461 CA THR A 32 7.069 -10.743 5.651 1.00 0.00 C ATOM 462 C THR A 32 7.492 -9.265 5.771 1.00 0.00 C ATOM 463 O THR A 32 8.651 -8.865 5.957 1.00 0.00 O ATOM 464 CB THR A 32 7.224 -11.519 6.946 1.00 0.00 C ATOM 465 OG1 THR A 32 8.369 -11.147 7.711 1.00 0.00 O ATOM 466 CG2 THR A 32 7.280 -13.037 6.744 1.00 0.00 C ATOM 0 H THR A 32 8.808 -10.843 4.464 1.00 0.00 H new ATOM 0 HA THR A 32 6.030 -11.058 5.553 1.00 0.00 H new ATOM 0 HB THR A 32 6.321 -11.251 7.496 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.404 -11.685 8.530 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.391 -13.529 7.710 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.359 -13.375 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.129 -13.288 6.109 1.00 0.00 H new ATOM 474 N ASN A 33 6.420 -8.493 5.638 1.00 0.00 N ATOM 475 CA ASN A 33 6.576 -7.279 4.833 1.00 0.00 C ATOM 476 C ASN A 33 5.982 -5.839 4.900 1.00 0.00 C ATOM 477 O ASN A 33 6.538 -4.849 5.382 1.00 0.00 O ATOM 478 CB ASN A 33 6.410 -7.983 3.390 1.00 0.00 C ATOM 479 CG ASN A 33 5.065 -8.741 3.022 1.00 0.00 C ATOM 480 OD1 ASN A 33 4.109 -8.789 3.798 1.00 0.00 O ATOM 481 ND2 ASN A 33 4.948 -9.354 1.857 1.00 0.00 N ATOM 0 H ASN A 33 5.498 -8.661 6.041 1.00 0.00 H new ATOM 0 HA ASN A 33 7.439 -6.780 5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.564 -7.212 2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.224 -8.700 3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.086 -9.847 1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.720 -9.334 1.191 1.00 0.00 H new ATOM 488 N CYS A 34 4.893 -5.859 4.182 1.00 0.00 N ATOM 489 CA CYS A 34 4.416 -4.766 3.350 1.00 0.00 C ATOM 490 C CYS A 34 3.784 -3.530 4.002 1.00 0.00 C ATOM 491 O CYS A 34 3.775 -3.305 5.216 1.00 0.00 O ATOM 492 CB CYS A 34 3.595 -5.483 2.233 1.00 0.00 C ATOM 493 SG CYS A 34 3.880 -5.117 0.515 1.00 0.00 S ATOM 0 H CYS A 34 4.278 -6.672 4.153 1.00 0.00 H new ATOM 0 HA CYS A 34 5.264 -4.203 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.747 -6.555 2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.542 -5.285 2.432 1.00 0.00 H new ATOM 498 N GLU A 35 3.322 -2.726 3.054 1.00 0.00 N ATOM 499 CA GLU A 35 2.763 -1.372 3.298 1.00 0.00 C ATOM 500 C GLU A 35 2.101 -0.839 1.997 1.00 0.00 C ATOM 501 O GLU A 35 2.701 -0.968 0.927 1.00 0.00 O ATOM 502 CB GLU A 35 3.858 -0.376 3.806 1.00 0.00 C ATOM 503 CG GLU A 35 5.137 -0.194 2.944 1.00 0.00 C ATOM 504 CD GLU A 35 6.005 0.991 3.368 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.154 1.999 2.678 1.00 0.00 O ATOM 506 OE2 GLU A 35 6.598 0.794 4.590 1.00 0.00 O ATOM 0 H GLU A 35 3.318 -2.988 2.068 1.00 0.00 H new ATOM 0 HA GLU A 35 2.010 -1.450 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.391 0.602 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.169 -0.700 4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.732 -1.106 2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.846 -0.064 1.902 1.00 0.00 H new ATOM 514 N CYS A 36 0.905 -0.204 2.062 1.00 0.00 N ATOM 515 CA CYS A 36 0.300 0.461 0.867 1.00 0.00 C ATOM 516 C CYS A 36 0.924 1.873 0.792 1.00 0.00 C ATOM 517 O CYS A 36 0.435 2.791 1.456 1.00 0.00 O ATOM 518 CB CYS A 36 -1.242 0.567 0.961 1.00 0.00 C ATOM 519 SG CYS A 36 -2.120 -0.912 0.442 1.00 0.00 S ATOM 0 H CYS A 36 0.343 -0.135 2.911 1.00 0.00 H new ATOM 0 HA CYS A 36 0.506 -0.130 -0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.516 0.795 1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.574 1.406 0.349 1.00 0.00 H new ATOM 524 N LYS A 37 2.009 2.042 0.004 1.00 0.00 N ATOM 525 CA LYS A 37 2.851 3.272 0.051 1.00 0.00 C ATOM 526 C LYS A 37 2.004 4.577 -0.184 1.00 0.00 C ATOM 527 O LYS A 37 1.274 4.606 -1.179 1.00 0.00 O ATOM 528 CB LYS A 37 4.078 3.099 -0.879 1.00 0.00 C ATOM 529 CG LYS A 37 5.219 4.110 -0.610 1.00 0.00 C ATOM 530 CD LYS A 37 6.624 3.679 -1.085 1.00 0.00 C ATOM 531 CE LYS A 37 6.819 3.434 -2.594 1.00 0.00 C ATOM 532 NZ LYS A 37 6.717 4.661 -3.407 1.00 0.00 N ATOM 0 H LYS A 37 2.327 1.348 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 37 3.251 3.410 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.468 2.088 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.753 3.200 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.965 5.053 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.262 4.304 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.334 4.445 -0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.891 2.763 -0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.796 2.980 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.073 2.717 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.858 4.425 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.776 5.085 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.446 5.339 -3.105 1.00 0.00 H new ATOM 545 N PRO A 38 2.018 5.612 0.712 1.00 0.00 N ATOM 546 CA PRO A 38 1.019 6.711 0.733 1.00 0.00 C ATOM 547 C PRO A 38 0.516 7.398 -0.570 1.00 0.00 C ATOM 548 O PRO A 38 -0.696 7.552 -0.737 1.00 0.00 O ATOM 549 CB PRO A 38 1.623 7.739 1.707 1.00 0.00 C ATOM 550 CG PRO A 38 2.496 6.925 2.650 1.00 0.00 C ATOM 551 CD PRO A 38 2.968 5.725 1.834 1.00 0.00 C ATOM 0 HA PRO A 38 0.075 6.241 1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.209 8.489 1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.843 8.271 2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.341 7.513 3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.934 6.606 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.986 5.872 1.473 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.972 4.817 2.438 1.00 0.00 H new ATOM 559 N ARG A 39 1.445 7.827 -1.447 1.00 0.00 N ATOM 560 CA ARG A 39 1.119 8.578 -2.685 1.00 0.00 C ATOM 561 C ARG A 39 2.136 8.172 -3.784 1.00 0.00 C ATOM 562 O ARG A 39 3.305 8.570 -3.760 1.00 0.00 O ATOM 563 CB ARG A 39 1.016 10.113 -2.475 1.00 0.00 C ATOM 564 CG ARG A 39 2.151 10.836 -1.705 1.00 0.00 C ATOM 565 CD ARG A 39 1.993 12.367 -1.607 1.00 0.00 C ATOM 566 NE ARG A 39 0.865 12.801 -0.738 1.00 0.00 N ATOM 567 CZ ARG A 39 -0.278 13.371 -1.171 1.00 0.00 C ATOM 568 NH1 ARG A 39 -0.553 13.619 -2.451 1.00 0.00 N ATOM 569 NH2 ARG A 39 -1.184 13.704 -0.270 1.00 0.00 N ATOM 0 H ARG A 39 2.444 7.665 -1.321 1.00 0.00 H new ATOM 0 HA ARG A 39 0.115 8.304 -3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.936 10.577 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.081 10.313 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.206 10.425 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.100 10.613 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.920 12.795 -1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.845 12.772 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 39 0.965 12.655 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.123 13.374 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.440 14.054 -2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.008 13.528 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.060 14.137 -0.563 1.00 0.00 H new ATOM 582 N LEU A 40 1.662 7.328 -4.715 1.00 0.00 N ATOM 583 CA LEU A 40 2.469 6.803 -5.853 1.00 0.00 C ATOM 584 C LEU A 40 2.138 7.474 -7.209 1.00 0.00 C ATOM 585 O LEU A 40 2.868 8.295 -7.769 1.00 0.00 O ATOM 586 CB LEU A 40 2.505 5.239 -5.789 1.00 0.00 C ATOM 587 CG LEU A 40 3.278 4.529 -6.935 1.00 0.00 C ATOM 588 CD1 LEU A 40 4.792 4.827 -6.924 1.00 0.00 C ATOM 589 CD2 LEU A 40 3.044 3.009 -6.926 1.00 0.00 C ATOM 0 H LEU A 40 0.702 6.982 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 40 3.511 7.107 -5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.951 4.944 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.479 4.871 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 40 2.871 4.945 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.272 4.301 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.953 5.899 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.222 4.491 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.602 2.550 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.383 2.594 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.981 2.804 -7.052 1.00 0.00 H new ATOM 601 N ILE A 41 0.983 7.034 -7.663 1.00 0.00 N ATOM 602 CA ILE A 41 0.225 7.610 -8.827 1.00 0.00 C ATOM 603 C ILE A 41 -0.581 8.935 -8.569 1.00 0.00 C ATOM 604 O ILE A 41 -1.513 9.289 -9.295 1.00 0.00 O ATOM 605 CB ILE A 41 -0.613 6.503 -9.566 1.00 0.00 C ATOM 606 CG1 ILE A 41 -1.717 5.855 -8.674 1.00 0.00 C ATOM 607 CG2 ILE A 41 0.296 5.443 -10.238 1.00 0.00 C ATOM 608 CD1 ILE A 41 -2.787 5.044 -9.423 1.00 0.00 C ATOM 0 H ILE A 41 0.504 6.240 -7.239 1.00 0.00 H new ATOM 0 HA ILE A 41 1.005 7.962 -9.502 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.151 7.020 -10.361 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.234 5.201 -7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.214 6.645 -8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.323 4.697 -10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.941 5.928 -10.970 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.910 4.957 -9.480 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.503 4.639 -8.708 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.306 5.692 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.311 4.225 -9.963 1.00 0.00 H new ATOM 620 N MET A 42 -0.129 9.668 -7.553 1.00 0.00 N ATOM 621 CA MET A 42 -0.507 11.079 -7.251 1.00 0.00 C ATOM 622 C MET A 42 0.760 11.978 -7.372 1.00 0.00 C ATOM 623 O MET A 42 0.737 12.989 -8.079 1.00 0.00 O ATOM 624 CB MET A 42 -1.237 11.226 -5.890 1.00 0.00 C ATOM 625 CG MET A 42 -2.622 10.560 -5.824 1.00 0.00 C ATOM 626 SD MET A 42 -3.743 11.316 -7.019 1.00 0.00 S ATOM 627 CE MET A 42 -5.172 10.226 -6.863 1.00 0.00 C ATOM 0 H MET A 42 0.540 9.294 -6.880 1.00 0.00 H new ATOM 0 HA MET A 42 -1.239 11.416 -7.985 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.607 10.800 -5.109 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.349 12.287 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.529 9.493 -6.028 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.032 10.658 -4.819 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.959 10.559 -7.540 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.882 9.207 -7.117 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.540 10.253 -5.837 1.00 0.00 H new ATOM 637 N GLU A 43 1.866 11.590 -6.713 1.00 0.00 N ATOM 638 CA GLU A 43 3.224 12.148 -6.921 1.00 0.00 C ATOM 639 C GLU A 43 4.006 11.860 -8.243 1.00 0.00 C ATOM 640 O GLU A 43 5.126 12.336 -8.450 1.00 0.00 O ATOM 641 CB GLU A 43 4.003 11.639 -5.695 1.00 0.00 C ATOM 642 CG GLU A 43 4.183 12.761 -4.659 1.00 0.00 C ATOM 643 CD GLU A 43 5.238 13.816 -5.021 1.00 0.00 C ATOM 644 OE1 GLU A 43 6.449 13.632 -4.899 1.00 0.00 O ATOM 645 OE2 GLU A 43 4.675 14.974 -5.494 1.00 0.00 O ATOM 0 H GLU A 43 1.845 10.860 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 43 3.114 13.227 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.472 10.802 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.978 11.266 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.225 13.261 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.453 12.312 -3.703 1.00 0.00 H new ATOM 653 N GLY A 44 3.359 11.092 -9.099 1.00 0.00 N ATOM 654 CA GLY A 44 3.778 10.845 -10.491 1.00 0.00 C ATOM 655 C GLY A 44 2.566 10.497 -11.372 1.00 0.00 C ATOM 656 O GLY A 44 2.274 9.319 -11.595 1.00 0.00 O ATOM 0 H GLY A 44 2.500 10.602 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.280 11.728 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.500 10.029 -10.519 1.00 0.00 H new ATOM 660 N LEU A 45 1.892 11.542 -11.881 1.00 0.00 N ATOM 661 CA LEU A 45 0.798 11.418 -12.894 1.00 0.00 C ATOM 662 C LEU A 45 0.895 12.389 -14.125 1.00 0.00 C ATOM 663 O LEU A 45 0.121 12.214 -15.072 1.00 0.00 O ATOM 664 CB LEU A 45 -0.612 11.456 -12.219 1.00 0.00 C ATOM 665 CG LEU A 45 -0.991 12.593 -11.219 1.00 0.00 C ATOM 666 CD1 LEU A 45 -0.844 14.023 -11.771 1.00 0.00 C ATOM 667 CD2 LEU A 45 -2.429 12.401 -10.695 1.00 0.00 C ATOM 0 H LEU A 45 2.082 12.506 -11.608 1.00 0.00 H new ATOM 0 HA LEU A 45 0.946 10.433 -13.336 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.350 11.476 -13.021 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.740 10.511 -11.692 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.264 12.500 -10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.131 14.741 -11.003 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.192 14.196 -12.061 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.490 14.145 -12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.673 13.204 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.127 12.421 -11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.505 11.442 -10.183 1.00 0.00 H new ATOM 679 N GLY A 46 1.798 13.390 -14.131 1.00 0.00 N ATOM 680 CA GLY A 46 1.826 14.455 -15.157 1.00 0.00 C ATOM 681 C GLY A 46 2.464 15.714 -14.552 1.00 0.00 C ATOM 682 O GLY A 46 3.676 15.918 -14.675 1.00 0.00 O ATOM 0 H GLY A 46 2.529 13.484 -13.426 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.395 14.125 -16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.815 14.673 -15.501 1.00 0.00 H new ATOM 686 N LEU A 47 1.639 16.529 -13.869 1.00 0.00 N ATOM 687 CA LEU A 47 2.122 17.664 -13.031 1.00 0.00 C ATOM 688 C LEU A 47 2.755 17.263 -11.656 1.00 0.00 C ATOM 689 O LEU A 47 3.678 17.954 -11.217 1.00 0.00 O ATOM 690 CB LEU A 47 1.033 18.770 -12.892 1.00 0.00 C ATOM 691 CG LEU A 47 -0.266 18.490 -12.072 1.00 0.00 C ATOM 692 CD1 LEU A 47 -0.933 19.812 -11.637 1.00 0.00 C ATOM 693 CD2 LEU A 47 -1.302 17.627 -12.822 1.00 0.00 C ATOM 0 H LEU A 47 0.624 16.428 -13.876 1.00 0.00 H new ATOM 0 HA LEU A 47 2.964 18.082 -13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.513 19.643 -12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.726 19.051 -13.900 1.00 0.00 H new ATOM 0 HG LEU A 47 0.059 17.921 -11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.836 19.594 -11.067 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.241 20.382 -11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.193 20.396 -12.520 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.176 17.476 -12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.602 18.134 -13.739 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.861 16.661 -13.068 1.00 0.00 H new ATOM 705 N ALA A 48 2.272 16.185 -10.989 1.00 0.00 N ATOM 706 CA ALA A 48 2.809 15.660 -9.701 1.00 0.00 C ATOM 707 C ALA A 48 2.439 16.536 -8.484 1.00 0.00 C ATOM 708 O ALA A 48 2.672 17.743 -8.407 1.00 0.00 O ATOM 709 CB ALA A 48 4.314 15.318 -9.716 1.00 0.00 C ATOM 710 OXT ALA A 48 1.837 15.808 -7.487 1.00 0.00 O ATOM 0 H ALA A 48 1.481 15.642 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 48 2.296 14.706 -9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.612 14.944 -8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.506 14.554 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.888 16.214 -9.953 1.00 0.00 H new TER 717 ALA A 48