USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 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 Set 1.1: A 32 THR OG1 : rot -121:sc= 1.21 USER MOD Set 1.2: A 33 ASN : amide:sc= 0 X(o=1.2,f=1.3) USER MOD Single : A 1 LYS N :NH3+ 153:sc= 0.005 (180deg=-0.0214) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.72) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= -0.0188 (180deg=-0.302) 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 USER MOD Single : A 28 SER OG : rot 180:sc= -0.179 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) 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 -8.926 -9.147 -2.339 1.00 0.00 N ATOM 2 CA LYS A 1 -9.387 -10.107 -1.312 1.00 0.00 C ATOM 3 C LYS A 1 -10.768 -9.647 -0.766 1.00 0.00 C ATOM 4 O LYS A 1 -11.789 -10.185 -1.205 1.00 0.00 O ATOM 5 CB LYS A 1 -8.265 -10.348 -0.262 1.00 0.00 C ATOM 6 CG LYS A 1 -8.571 -11.472 0.756 1.00 0.00 C ATOM 7 CD LYS A 1 -7.480 -11.697 1.823 1.00 0.00 C ATOM 8 CE LYS A 1 -7.413 -10.595 2.900 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.384 -10.891 3.912 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.887 -9.154 -2.379 1.00 0.00 H new ATOM 0 H2 LYS A 1 -9.310 -9.420 -3.266 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.257 -8.192 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.568 -11.098 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.341 -10.591 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -8.088 -9.420 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.509 -11.240 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.724 -12.404 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.657 -12.656 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.511 -11.765 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.196 -9.637 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.385 -10.499 3.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.365 -10.130 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.605 -11.794 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.454 -10.958 3.452 1.00 0.00 H new ATOM 24 N LYS A 2 -10.806 -8.678 0.176 1.00 0.00 N ATOM 25 CA LYS A 2 -12.060 -8.231 0.838 1.00 0.00 C ATOM 26 C LYS A 2 -12.596 -6.980 0.079 1.00 0.00 C ATOM 27 O LYS A 2 -13.299 -7.160 -0.920 1.00 0.00 O ATOM 28 CB LYS A 2 -11.786 -8.112 2.366 1.00 0.00 C ATOM 29 CG LYS A 2 -13.046 -7.881 3.231 1.00 0.00 C ATOM 30 CD LYS A 2 -12.790 -7.705 4.746 1.00 0.00 C ATOM 31 CE LYS A 2 -12.427 -8.976 5.546 1.00 0.00 C ATOM 32 NZ LYS A 2 -11.014 -9.380 5.414 1.00 0.00 N ATOM 0 H LYS A 2 -9.975 -8.184 0.500 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.887 -8.939 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.291 -9.022 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.091 -7.290 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.561 -6.994 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.722 -8.724 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.983 -6.983 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.683 -7.267 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.650 -8.807 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.062 -9.797 5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.712 -9.874 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.909 -10.015 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.423 -8.536 5.273 1.00 0.00 H new ATOM 45 N LYS A 3 -12.262 -5.744 0.510 1.00 0.00 N ATOM 46 CA LYS A 3 -12.579 -4.508 -0.256 1.00 0.00 C ATOM 47 C LYS A 3 -11.537 -3.415 0.119 1.00 0.00 C ATOM 48 O LYS A 3 -11.824 -2.503 0.902 1.00 0.00 O ATOM 49 CB LYS A 3 -14.064 -4.080 -0.030 1.00 0.00 C ATOM 50 CG LYS A 3 -14.588 -2.913 -0.900 1.00 0.00 C ATOM 51 CD LYS A 3 -14.725 -3.236 -2.406 1.00 0.00 C ATOM 52 CE LYS A 3 -15.278 -2.082 -3.267 1.00 0.00 C ATOM 53 NZ LYS A 3 -16.711 -1.815 -3.034 1.00 0.00 N ATOM 0 H LYS A 3 -11.771 -5.570 1.387 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.498 -4.682 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.699 -4.948 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.184 -3.804 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.561 -2.604 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.916 -2.063 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.747 -3.522 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.378 -4.101 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.708 -1.177 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.126 -2.318 -4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.021 -1.030 -3.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.264 -2.667 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.859 -1.560 -2.037 1.00 0.00 H new ATOM 66 N CYS A 4 -10.332 -3.522 -0.481 1.00 0.00 N ATOM 67 CA CYS A 4 -9.222 -2.527 -0.390 1.00 0.00 C ATOM 68 C CYS A 4 -8.768 -2.020 1.023 1.00 0.00 C ATOM 69 O CYS A 4 -9.307 -2.388 2.071 1.00 0.00 O ATOM 70 CB CYS A 4 -9.501 -1.396 -1.389 1.00 0.00 C ATOM 71 SG CYS A 4 -10.765 -0.246 -0.830 1.00 0.00 S ATOM 0 H CYS A 4 -10.089 -4.325 -1.062 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.324 -3.084 -0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.577 -0.848 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.810 -1.829 -2.340 1.00 0.00 H new ATOM 76 N ILE A 5 -7.743 -1.151 1.001 1.00 0.00 N ATOM 77 CA ILE A 5 -7.001 -0.670 2.173 1.00 0.00 C ATOM 78 C ILE A 5 -6.886 0.867 1.968 1.00 0.00 C ATOM 79 O ILE A 5 -6.257 1.309 0.998 1.00 0.00 O ATOM 80 CB ILE A 5 -5.568 -1.322 2.216 1.00 0.00 C ATOM 81 CG1 ILE A 5 -5.466 -2.806 1.742 1.00 0.00 C ATOM 82 CG2 ILE A 5 -5.036 -1.111 3.631 1.00 0.00 C ATOM 83 CD1 ILE A 5 -4.150 -3.552 1.994 1.00 0.00 C ATOM 0 H ILE A 5 -7.397 -0.750 0.129 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.497 -0.926 3.109 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.948 -0.824 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.266 -3.367 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.663 -2.829 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.040 -1.547 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.984 -0.043 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.703 -1.592 4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.229 -4.569 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.336 -3.036 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.948 -3.582 3.065 1.00 0.00 H new ATOM 95 N ALA A 6 -7.437 1.689 2.880 1.00 0.00 N ATOM 96 CA ALA A 6 -7.375 3.177 2.731 1.00 0.00 C ATOM 97 C ALA A 6 -6.037 3.930 3.077 1.00 0.00 C ATOM 98 O ALA A 6 -6.005 5.164 3.111 1.00 0.00 O ATOM 99 CB ALA A 6 -8.650 3.762 3.345 1.00 0.00 C ATOM 0 H ALA A 6 -7.924 1.368 3.717 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.339 3.376 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.634 4.848 3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.521 3.366 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.704 3.490 4.399 1.00 0.00 H new ATOM 105 N LYS A 7 -4.937 3.182 3.279 1.00 0.00 N ATOM 106 CA LYS A 7 -3.559 3.682 3.220 1.00 0.00 C ATOM 107 C LYS A 7 -2.767 4.199 4.432 1.00 0.00 C ATOM 108 O LYS A 7 -2.780 3.684 5.553 1.00 0.00 O ATOM 109 CB LYS A 7 -3.164 4.069 1.759 1.00 0.00 C ATOM 110 CG LYS A 7 -3.309 2.987 0.676 1.00 0.00 C ATOM 111 CD LYS A 7 -2.397 3.305 -0.520 1.00 0.00 C ATOM 112 CE LYS A 7 -2.825 4.492 -1.400 1.00 0.00 C ATOM 113 NZ LYS A 7 -4.023 4.173 -2.188 1.00 0.00 N ATOM 0 H LYS A 7 -4.988 2.186 3.493 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.968 2.843 3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.769 4.926 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.125 4.400 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.051 2.012 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.346 2.929 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.393 3.501 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.333 2.417 -1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.022 5.360 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.009 4.763 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.597 5.032 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.739 3.811 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.583 3.450 -1.692 1.00 0.00 H new ATOM 126 N ASP A 8 -2.136 5.299 4.073 1.00 0.00 N ATOM 127 CA ASP A 8 -0.863 5.823 4.564 1.00 0.00 C ATOM 128 C ASP A 8 -0.070 4.931 5.532 1.00 0.00 C ATOM 129 O ASP A 8 -0.132 5.061 6.757 1.00 0.00 O ATOM 130 CB ASP A 8 -0.860 7.318 4.905 1.00 0.00 C ATOM 131 CG ASP A 8 -1.952 8.271 4.385 1.00 0.00 C ATOM 132 OD1 ASP A 8 -2.901 8.649 5.071 1.00 0.00 O ATOM 133 OD2 ASP A 8 -1.748 8.635 3.077 1.00 0.00 O ATOM 0 H ASP A 8 -2.535 5.912 3.362 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.249 5.760 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.867 7.393 5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.095 7.717 4.564 1.00 0.00 H new ATOM 139 N TYR A 9 0.677 4.010 4.871 1.00 0.00 N ATOM 140 CA TYR A 9 1.273 2.826 5.461 1.00 0.00 C ATOM 141 C TYR A 9 0.073 1.828 5.500 1.00 0.00 C ATOM 142 O TYR A 9 -0.375 1.417 6.575 1.00 0.00 O ATOM 143 CB TYR A 9 2.126 2.954 6.749 1.00 0.00 C ATOM 144 CG TYR A 9 3.179 4.081 6.741 1.00 0.00 C ATOM 145 CD1 TYR A 9 4.334 3.954 5.962 1.00 0.00 C ATOM 146 CD2 TYR A 9 2.944 5.283 7.422 1.00 0.00 C ATOM 147 CE1 TYR A 9 5.245 5.003 5.879 1.00 0.00 C ATOM 148 CE2 TYR A 9 3.846 6.338 7.323 1.00 0.00 C ATOM 149 CZ TYR A 9 5.004 6.193 6.561 1.00 0.00 C ATOM 150 OH TYR A 9 5.871 7.246 6.428 1.00 0.00 O ATOM 0 H TYR A 9 0.877 4.093 3.874 1.00 0.00 H new ATOM 0 HA TYR A 9 2.114 2.479 4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.455 3.114 7.593 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.636 2.006 6.922 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.520 3.037 5.422 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.057 5.391 8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.140 4.894 5.285 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.649 7.268 7.836 1.00 0.00 H new ATOM 0 HH TYR A 9 5.556 8.000 6.969 1.00 0.00 H new ATOM 160 N GLY A 10 -0.458 1.468 4.296 1.00 0.00 N ATOM 161 CA GLY A 10 -1.427 0.374 4.104 1.00 0.00 C ATOM 162 C GLY A 10 -0.768 -0.984 4.529 1.00 0.00 C ATOM 163 O GLY A 10 0.240 -0.968 5.240 1.00 0.00 O ATOM 0 H GLY A 10 -0.215 1.943 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.323 0.558 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.740 0.329 3.061 1.00 0.00 H new ATOM 167 N ARG A 11 -1.343 -2.151 4.232 1.00 0.00 N ATOM 168 CA ARG A 11 -0.790 -3.467 4.684 1.00 0.00 C ATOM 169 C ARG A 11 -1.089 -4.437 3.519 1.00 0.00 C ATOM 170 O ARG A 11 -1.973 -5.298 3.559 1.00 0.00 O ATOM 171 CB ARG A 11 -1.393 -3.874 6.061 1.00 0.00 C ATOM 172 CG ARG A 11 -0.891 -5.194 6.694 1.00 0.00 C ATOM 173 CD ARG A 11 0.621 -5.237 6.985 1.00 0.00 C ATOM 174 NE ARG A 11 0.978 -6.446 7.792 1.00 0.00 N ATOM 175 CZ ARG A 11 2.027 -6.722 8.462 1.00 0.00 C ATOM 176 NH1 ARG A 11 3.069 -5.900 8.555 1.00 0.00 N ATOM 177 NH2 ARG A 11 2.081 -7.878 9.097 1.00 0.00 N ATOM 0 H ARG A 11 -2.196 -2.231 3.679 1.00 0.00 H new ATOM 0 HA ARG A 11 0.283 -3.455 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.198 -3.066 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.475 -3.944 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.431 -5.362 7.626 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.142 -6.019 6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.175 -5.245 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.917 -4.336 7.522 1.00 0.00 H new ATOM 0 HE ARG A 11 0.261 -7.171 7.809 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.052 -4.999 8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.884 -6.170 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.295 -8.526 9.044 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.909 -8.123 9.640 1.00 0.00 H new ATOM 190 N CYS A 12 -0.306 -4.216 2.463 1.00 0.00 N ATOM 191 CA CYS A 12 -0.571 -4.774 1.124 1.00 0.00 C ATOM 192 C CYS A 12 0.056 -6.164 0.888 1.00 0.00 C ATOM 193 O CYS A 12 0.768 -6.740 1.718 1.00 0.00 O ATOM 194 CB CYS A 12 -0.196 -3.670 0.125 1.00 0.00 C ATOM 195 SG CYS A 12 1.526 -3.219 0.210 1.00 0.00 S ATOM 0 H CYS A 12 0.536 -3.642 2.506 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.624 -5.023 0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.430 -4.006 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.808 -2.789 0.318 1.00 0.00 H new ATOM 200 N LYS A 13 -0.294 -6.711 -0.274 1.00 0.00 N ATOM 201 CA LYS A 13 0.337 -7.923 -0.831 1.00 0.00 C ATOM 202 C LYS A 13 -0.156 -7.932 -2.303 1.00 0.00 C ATOM 203 O LYS A 13 -1.365 -7.880 -2.572 1.00 0.00 O ATOM 204 CB LYS A 13 -0.053 -9.225 -0.063 1.00 0.00 C ATOM 205 CG LYS A 13 0.863 -10.445 -0.302 1.00 0.00 C ATOM 206 CD LYS A 13 0.404 -11.387 -1.429 1.00 0.00 C ATOM 207 CE LYS A 13 1.410 -12.514 -1.718 1.00 0.00 C ATOM 208 NZ LYS A 13 0.939 -13.389 -2.806 1.00 0.00 N ATOM 0 H LYS A 13 -1.030 -6.328 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 13 1.423 -7.903 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.063 -9.006 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.071 -9.498 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.867 -10.088 -0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.932 -11.016 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.557 -11.826 -1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.246 -10.807 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.374 -12.083 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.566 -13.105 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.639 -14.139 -2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.031 -13.819 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.814 -12.828 -3.673 1.00 0.00 H new ATOM 221 N TRP A 14 0.786 -8.025 -3.256 1.00 0.00 N ATOM 222 CA TRP A 14 0.456 -8.208 -4.702 1.00 0.00 C ATOM 223 C TRP A 14 0.127 -9.720 -4.895 1.00 0.00 C ATOM 224 O TRP A 14 0.997 -10.595 -4.941 1.00 0.00 O ATOM 225 CB TRP A 14 1.577 -7.619 -5.605 1.00 0.00 C ATOM 226 CG TRP A 14 1.322 -6.143 -5.980 1.00 0.00 C ATOM 227 CD1 TRP A 14 1.555 -4.998 -5.175 1.00 0.00 C ATOM 228 CD2 TRP A 14 0.635 -5.671 -7.091 1.00 0.00 C ATOM 229 NE1 TRP A 14 1.043 -3.831 -5.771 1.00 0.00 N ATOM 230 CE2 TRP A 14 0.461 -4.272 -6.943 1.00 0.00 C ATOM 231 CE3 TRP A 14 0.063 -6.349 -8.200 1.00 0.00 C ATOM 232 CZ2 TRP A 14 -0.290 -3.543 -7.895 1.00 0.00 C ATOM 233 CZ3 TRP A 14 -0.659 -5.606 -9.135 1.00 0.00 C ATOM 234 CH2 TRP A 14 -0.835 -4.225 -8.984 1.00 0.00 C ATOM 0 H TRP A 14 1.786 -7.978 -3.063 1.00 0.00 H new ATOM 0 HA TRP A 14 -0.422 -7.645 -5.018 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.534 -7.699 -5.089 1.00 0.00 H new ATOM 0 HB3 TRP A 14 1.655 -8.213 -6.515 1.00 0.00 H new ATOM 0 HD1 TRP A 14 2.063 -5.020 -4.222 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.091 -2.875 -5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.184 -7.416 -8.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.439 -2.479 -7.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.090 -6.105 -9.990 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -1.402 -3.678 -9.723 1.00 0.00 H new ATOM 245 N GLY A 15 -1.192 -9.956 -4.923 1.00 0.00 N ATOM 246 CA GLY A 15 -1.831 -11.282 -4.745 1.00 0.00 C ATOM 247 C GLY A 15 -2.694 -11.334 -3.436 1.00 0.00 C ATOM 248 O GLY A 15 -2.714 -12.360 -2.752 1.00 0.00 O ATOM 0 H GLY A 15 -1.871 -9.210 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.462 -11.502 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.063 -12.055 -4.707 1.00 0.00 H new ATOM 252 N GLY A 16 -3.399 -10.231 -3.114 1.00 0.00 N ATOM 253 CA GLY A 16 -4.099 -10.006 -1.829 1.00 0.00 C ATOM 254 C GLY A 16 -5.128 -8.874 -1.987 1.00 0.00 C ATOM 255 O GLY A 16 -5.690 -8.636 -3.065 1.00 0.00 O ATOM 0 H GLY A 16 -3.501 -9.447 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.598 -10.921 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.379 -9.749 -1.052 1.00 0.00 H new ATOM 259 N THR A 17 -5.345 -8.150 -0.879 1.00 0.00 N ATOM 260 CA THR A 17 -6.141 -6.878 -0.905 1.00 0.00 C ATOM 261 C THR A 17 -5.331 -5.773 -1.677 1.00 0.00 C ATOM 262 O THR A 17 -4.159 -5.565 -1.340 1.00 0.00 O ATOM 263 CB THR A 17 -6.642 -6.287 0.459 1.00 0.00 C ATOM 264 OG1 THR A 17 -6.569 -7.219 1.532 1.00 0.00 O ATOM 265 CG2 THR A 17 -8.063 -5.727 0.392 1.00 0.00 C ATOM 0 H THR A 17 -4.992 -8.405 0.044 1.00 0.00 H new ATOM 0 HA THR A 17 -7.062 -7.172 -1.407 1.00 0.00 H new ATOM 0 HB THR A 17 -5.952 -5.466 0.656 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.892 -6.796 2.355 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.346 -5.335 1.369 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.104 -4.926 -0.346 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.754 -6.520 0.106 1.00 0.00 H new ATOM 273 N PRO A 18 -5.886 -5.059 -2.694 1.00 0.00 N ATOM 274 CA PRO A 18 -5.109 -4.128 -3.568 1.00 0.00 C ATOM 275 C PRO A 18 -4.395 -2.854 -3.033 1.00 0.00 C ATOM 276 O PRO A 18 -3.317 -2.460 -3.479 1.00 0.00 O ATOM 277 CB PRO A 18 -6.181 -3.739 -4.627 1.00 0.00 C ATOM 278 CG PRO A 18 -7.493 -3.856 -3.840 1.00 0.00 C ATOM 279 CD PRO A 18 -7.288 -5.189 -3.144 1.00 0.00 C ATOM 0 HA PRO A 18 -4.208 -4.664 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.026 -2.729 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.163 -4.410 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.626 -3.037 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.367 -3.860 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.977 -5.330 -2.311 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.428 -6.033 -3.820 1.00 0.00 H new ATOM 287 N CYS A 19 -5.122 -2.252 -2.112 1.00 0.00 N ATOM 288 CA CYS A 19 -4.991 -0.843 -1.657 1.00 0.00 C ATOM 289 C CYS A 19 -5.957 -0.029 -2.577 1.00 0.00 C ATOM 290 O CYS A 19 -6.160 -0.308 -3.768 1.00 0.00 O ATOM 291 CB CYS A 19 -3.616 -0.184 -1.472 1.00 0.00 C ATOM 292 SG CYS A 19 -2.622 -0.990 -0.199 1.00 0.00 S ATOM 0 H CYS A 19 -5.868 -2.744 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.249 -0.846 -0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.076 -0.208 -2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.753 0.865 -1.210 1.00 0.00 H new ATOM 297 N CYS A 20 -6.572 0.990 -1.979 1.00 0.00 N ATOM 298 CA CYS A 20 -7.791 1.624 -2.545 1.00 0.00 C ATOM 299 C CYS A 20 -7.644 2.750 -3.604 1.00 0.00 C ATOM 300 O CYS A 20 -8.058 2.545 -4.749 1.00 0.00 O ATOM 301 CB CYS A 20 -8.755 1.958 -1.373 1.00 0.00 C ATOM 302 SG CYS A 20 -10.422 1.445 -1.822 1.00 0.00 S ATOM 0 H CYS A 20 -6.256 1.404 -1.102 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.222 0.873 -3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.435 1.447 -0.465 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.734 3.027 -1.161 1.00 0.00 H new ATOM 307 N ARG A 21 -7.105 3.925 -3.233 1.00 0.00 N ATOM 308 CA ARG A 21 -7.181 5.155 -4.077 1.00 0.00 C ATOM 309 C ARG A 21 -5.808 5.557 -4.704 1.00 0.00 C ATOM 310 O ARG A 21 -5.232 6.600 -4.374 1.00 0.00 O ATOM 311 CB ARG A 21 -7.815 6.300 -3.226 1.00 0.00 C ATOM 312 CG ARG A 21 -9.194 6.009 -2.573 1.00 0.00 C ATOM 313 CD ARG A 21 -9.864 7.224 -1.901 1.00 0.00 C ATOM 314 NE ARG A 21 -10.361 8.222 -2.881 1.00 0.00 N ATOM 315 CZ ARG A 21 -10.938 9.395 -2.554 1.00 0.00 C ATOM 316 NH1 ARG A 21 -11.136 9.803 -1.301 1.00 0.00 N ATOM 317 NH2 ARG A 21 -11.331 10.188 -3.534 1.00 0.00 N ATOM 0 H ARG A 21 -6.608 4.060 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.817 4.952 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.113 6.563 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.920 7.178 -3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.866 5.618 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.068 5.224 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.696 6.880 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.149 7.703 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.258 8.004 -3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.844 9.214 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.579 10.704 -1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.194 9.906 -4.505 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.771 11.083 -3.320 1.00 0.00 H new ATOM 330 N GLY A 22 -5.295 4.722 -5.631 1.00 0.00 N ATOM 331 CA GLY A 22 -4.017 4.989 -6.348 1.00 0.00 C ATOM 332 C GLY A 22 -2.782 4.675 -5.481 1.00 0.00 C ATOM 333 O GLY A 22 -2.338 5.541 -4.722 1.00 0.00 O ATOM 0 H GLY A 22 -5.745 3.849 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.981 4.389 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.987 6.035 -6.654 1.00 0.00 H new ATOM 337 N ARG A 23 -2.252 3.444 -5.595 1.00 0.00 N ATOM 338 CA ARG A 23 -1.259 2.904 -4.628 1.00 0.00 C ATOM 339 C ARG A 23 0.212 2.752 -5.113 1.00 0.00 C ATOM 340 O ARG A 23 0.533 2.756 -6.306 1.00 0.00 O ATOM 341 CB ARG A 23 -1.824 1.564 -4.066 1.00 0.00 C ATOM 342 CG ARG A 23 -1.817 0.298 -4.962 1.00 0.00 C ATOM 343 CD ARG A 23 -3.063 0.145 -5.853 1.00 0.00 C ATOM 344 NE ARG A 23 -3.095 -1.184 -6.509 1.00 0.00 N ATOM 345 CZ ARG A 23 -4.135 -1.658 -7.221 1.00 0.00 C ATOM 346 NH1 ARG A 23 -5.259 -0.976 -7.440 1.00 0.00 N ATOM 347 NH2 ARG A 23 -4.036 -2.871 -7.731 1.00 0.00 N ATOM 0 H ARG A 23 -2.491 2.797 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.150 3.666 -3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.264 1.327 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.856 1.745 -3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.931 0.322 -5.597 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.730 -0.583 -4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.962 0.278 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.069 0.928 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.273 -1.780 -6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.368 -0.036 -7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.010 -1.394 -7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.190 -3.420 -7.581 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.806 -3.260 -8.275 1.00 0.00 H new ATOM 360 N GLY A 24 1.074 2.568 -4.100 1.00 0.00 N ATOM 361 CA GLY A 24 2.462 2.111 -4.268 1.00 0.00 C ATOM 362 C GLY A 24 2.817 1.314 -3.016 1.00 0.00 C ATOM 363 O GLY A 24 3.011 1.825 -1.911 1.00 0.00 O ATOM 0 H GLY A 24 0.822 2.735 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.560 1.493 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.136 2.959 -4.391 1.00 0.00 H new ATOM 367 N CYS A 25 2.849 0.029 -3.294 1.00 0.00 N ATOM 368 CA CYS A 25 3.034 -1.049 -2.299 1.00 0.00 C ATOM 369 C CYS A 25 4.505 -1.537 -2.288 1.00 0.00 C ATOM 370 O CYS A 25 4.887 -2.422 -3.063 1.00 0.00 O ATOM 371 CB CYS A 25 2.018 -2.182 -2.585 1.00 0.00 C ATOM 372 SG CYS A 25 2.335 -3.614 -1.563 1.00 0.00 S ATOM 0 H CYS A 25 2.745 -0.324 -4.245 1.00 0.00 H new ATOM 0 HA CYS A 25 2.836 -0.674 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.006 -1.820 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.072 -2.464 -3.636 1.00 0.00 H new ATOM 377 N ILE A 26 5.314 -0.959 -1.377 1.00 0.00 N ATOM 378 CA ILE A 26 6.669 -1.490 -1.049 1.00 0.00 C ATOM 379 C ILE A 26 6.478 -2.455 0.147 1.00 0.00 C ATOM 380 O ILE A 26 5.760 -2.176 1.116 1.00 0.00 O ATOM 381 CB ILE A 26 7.730 -0.415 -0.681 1.00 0.00 C ATOM 382 CG1 ILE A 26 7.947 0.701 -1.748 1.00 0.00 C ATOM 383 CG2 ILE A 26 9.058 -1.034 -0.172 1.00 0.00 C ATOM 384 CD1 ILE A 26 8.189 0.262 -3.202 1.00 0.00 C ATOM 0 H ILE A 26 5.059 -0.123 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 26 7.065 -1.971 -1.944 1.00 0.00 H new ATOM 0 HB ILE A 26 7.286 0.117 0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.073 1.352 -1.735 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.798 1.305 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.762 -0.237 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.863 -1.630 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.484 -1.671 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.323 1.142 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.084 -0.358 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.332 -0.310 -3.557 1.00 0.00 H new ATOM 396 N CYS A 27 7.214 -3.567 0.045 1.00 0.00 N ATOM 397 CA CYS A 27 6.999 -4.748 0.905 1.00 0.00 C ATOM 398 C CYS A 27 8.148 -5.197 1.854 1.00 0.00 C ATOM 399 O CYS A 27 9.162 -4.514 2.026 1.00 0.00 O ATOM 400 CB CYS A 27 6.434 -5.862 -0.010 1.00 0.00 C ATOM 401 SG CYS A 27 4.880 -5.334 -0.736 1.00 0.00 S ATOM 0 H CYS A 27 7.971 -3.679 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 27 6.287 -4.462 1.679 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.151 -6.096 -0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.284 -6.775 0.566 1.00 0.00 H new ATOM 406 N SER A 28 7.884 -6.324 2.551 1.00 0.00 N ATOM 407 CA SER A 28 8.822 -6.991 3.477 1.00 0.00 C ATOM 408 C SER A 28 8.584 -8.510 3.371 1.00 0.00 C ATOM 409 O SER A 28 7.620 -9.051 2.824 1.00 0.00 O ATOM 410 CB SER A 28 8.624 -6.577 4.952 1.00 0.00 C ATOM 411 OG SER A 28 9.538 -7.148 5.881 1.00 0.00 O ATOM 0 H SER A 28 6.988 -6.807 2.482 1.00 0.00 H new ATOM 0 HA SER A 28 9.832 -6.698 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.697 -5.492 5.019 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.612 -6.847 5.253 1.00 0.00 H new ATOM 0 HG SER A 28 9.332 -6.825 6.783 1.00 0.00 H new ATOM 417 N ILE A 29 9.620 -9.130 3.907 1.00 0.00 N ATOM 418 CA ILE A 29 9.824 -10.613 4.034 1.00 0.00 C ATOM 419 C ILE A 29 9.286 -11.453 2.810 1.00 0.00 C ATOM 420 O ILE A 29 8.536 -12.423 2.930 1.00 0.00 O ATOM 421 CB ILE A 29 9.448 -11.088 5.486 1.00 0.00 C ATOM 422 CG1 ILE A 29 10.276 -10.374 6.611 1.00 0.00 C ATOM 423 CG2 ILE A 29 9.627 -12.613 5.687 1.00 0.00 C ATOM 424 CD1 ILE A 29 9.470 -10.062 7.877 1.00 0.00 C ATOM 0 H ILE A 29 10.403 -8.606 4.297 1.00 0.00 H new ATOM 0 HA ILE A 29 10.886 -10.840 3.940 1.00 0.00 H new ATOM 0 HB ILE A 29 8.396 -10.817 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.124 -11.004 6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.683 -9.444 6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.352 -12.880 6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.987 -13.150 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 29 10.668 -12.884 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.114 -9.569 8.606 1.00 0.00 H new ATOM 0 HD12 ILE A 29 8.637 -9.405 7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.085 -10.989 8.301 1.00 0.00 H new ATOM 436 N MET A 30 9.737 -11.032 1.618 1.00 0.00 N ATOM 437 CA MET A 30 9.342 -11.599 0.292 1.00 0.00 C ATOM 438 C MET A 30 7.885 -11.235 -0.165 1.00 0.00 C ATOM 439 O MET A 30 7.178 -12.102 -0.693 1.00 0.00 O ATOM 440 CB MET A 30 9.681 -13.121 0.207 1.00 0.00 C ATOM 441 CG MET A 30 9.741 -13.725 -1.203 1.00 0.00 C ATOM 442 SD MET A 30 11.397 -13.528 -1.895 1.00 0.00 S ATOM 443 CE MET A 30 11.177 -14.313 -3.504 1.00 0.00 C ATOM 0 H MET A 30 10.406 -10.267 1.533 1.00 0.00 H new ATOM 0 HA MET A 30 9.958 -11.098 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 30 10.644 -13.285 0.691 1.00 0.00 H new ATOM 0 HB3 MET A 30 8.937 -13.670 0.784 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.478 -14.782 -1.165 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.009 -13.237 -1.847 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.114 -14.274 -4.059 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.881 -15.353 -3.364 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.403 -13.787 -4.063 1.00 0.00 H new ATOM 453 N GLY A 31 7.427 -9.966 -0.032 1.00 0.00 N ATOM 454 CA GLY A 31 6.057 -9.585 -0.481 1.00 0.00 C ATOM 455 C GLY A 31 4.944 -10.172 0.410 1.00 0.00 C ATOM 456 O GLY A 31 4.190 -11.035 -0.045 1.00 0.00 O ATOM 0 H GLY A 31 7.968 -9.202 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.973 -8.498 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.910 -9.924 -1.507 1.00 0.00 H new ATOM 460 N THR A 32 4.902 -9.736 1.679 1.00 0.00 N ATOM 461 CA THR A 32 4.086 -10.399 2.736 1.00 0.00 C ATOM 462 C THR A 32 3.533 -9.352 3.752 1.00 0.00 C ATOM 463 O THR A 32 2.397 -8.873 3.700 1.00 0.00 O ATOM 464 CB THR A 32 4.849 -11.631 3.367 1.00 0.00 C ATOM 465 OG1 THR A 32 6.143 -11.264 3.833 1.00 0.00 O ATOM 466 CG2 THR A 32 5.030 -12.872 2.468 1.00 0.00 C ATOM 0 H THR A 32 5.423 -8.924 2.010 1.00 0.00 H new ATOM 0 HA THR A 32 3.197 -10.842 2.287 1.00 0.00 H new ATOM 0 HB THR A 32 4.177 -11.919 4.176 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.821 -11.804 3.376 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.568 -13.644 3.018 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.052 -13.252 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.598 -12.598 1.579 1.00 0.00 H new ATOM 474 N ASN A 33 4.452 -9.046 4.646 1.00 0.00 N ATOM 475 CA ASN A 33 4.473 -8.011 5.706 1.00 0.00 C ATOM 476 C ASN A 33 4.599 -6.521 5.274 1.00 0.00 C ATOM 477 O ASN A 33 5.193 -5.665 5.940 1.00 0.00 O ATOM 478 CB ASN A 33 5.794 -8.441 6.413 1.00 0.00 C ATOM 479 CG ASN A 33 5.708 -9.591 7.436 1.00 0.00 C ATOM 480 OD1 ASN A 33 5.914 -10.758 7.103 1.00 0.00 O ATOM 481 ND2 ASN A 33 5.416 -9.284 8.690 1.00 0.00 N ATOM 0 H ASN A 33 5.323 -9.577 4.663 1.00 0.00 H new ATOM 0 HA ASN A 33 3.534 -7.993 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.510 -8.728 5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.204 -7.568 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.359 -10.019 9.395 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.248 -8.312 8.951 1.00 0.00 H new ATOM 488 N CYS A 34 3.962 -6.252 4.152 1.00 0.00 N ATOM 489 CA CYS A 34 4.132 -5.006 3.385 1.00 0.00 C ATOM 490 C CYS A 34 3.510 -3.755 4.054 1.00 0.00 C ATOM 491 O CYS A 34 3.001 -3.745 5.179 1.00 0.00 O ATOM 492 CB CYS A 34 3.540 -5.280 1.977 1.00 0.00 C ATOM 493 SG CYS A 34 4.033 -4.197 0.658 1.00 0.00 S ATOM 0 H CYS A 34 3.296 -6.898 3.728 1.00 0.00 H new ATOM 0 HA CYS A 34 5.191 -4.753 3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.804 -6.299 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.453 -5.243 2.055 1.00 0.00 H new ATOM 498 N GLU A 35 3.636 -2.687 3.283 1.00 0.00 N ATOM 499 CA GLU A 35 2.966 -1.389 3.562 1.00 0.00 C ATOM 500 C GLU A 35 2.551 -0.722 2.241 1.00 0.00 C ATOM 501 O GLU A 35 3.179 -0.972 1.203 1.00 0.00 O ATOM 502 CB GLU A 35 3.852 -0.409 4.391 1.00 0.00 C ATOM 503 CG GLU A 35 4.170 -0.829 5.842 1.00 0.00 C ATOM 504 CD GLU A 35 4.991 0.209 6.618 1.00 0.00 C ATOM 505 OE1 GLU A 35 5.964 0.802 6.150 1.00 0.00 O ATOM 506 OE2 GLU A 35 4.525 0.386 7.896 1.00 0.00 O ATOM 0 H GLU A 35 4.205 -2.677 2.437 1.00 0.00 H new ATOM 0 HA GLU A 35 2.087 -1.611 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.795 -0.270 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.355 0.561 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.235 -1.010 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.715 -1.773 5.827 1.00 0.00 H new ATOM 514 N CYS A 36 1.502 0.141 2.261 1.00 0.00 N ATOM 515 CA CYS A 36 1.214 0.943 1.032 1.00 0.00 C ATOM 516 C CYS A 36 1.729 2.355 1.371 1.00 0.00 C ATOM 517 O CYS A 36 0.990 3.169 1.937 1.00 0.00 O ATOM 518 CB CYS A 36 -0.226 0.950 0.502 1.00 0.00 C ATOM 519 SG CYS A 36 -0.669 -0.543 -0.396 1.00 0.00 S ATOM 0 H CYS A 36 0.878 0.298 3.052 1.00 0.00 H new ATOM 0 HA CYS A 36 1.715 0.475 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.912 1.077 1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.359 1.811 -0.153 1.00 0.00 H new ATOM 524 N LYS A 37 3.017 2.613 1.057 1.00 0.00 N ATOM 525 CA LYS A 37 3.738 3.835 1.509 1.00 0.00 C ATOM 526 C LYS A 37 2.998 5.140 1.053 1.00 0.00 C ATOM 527 O LYS A 37 2.522 5.161 -0.088 1.00 0.00 O ATOM 528 CB LYS A 37 5.233 3.777 1.098 1.00 0.00 C ATOM 529 CG LYS A 37 6.044 2.743 1.920 1.00 0.00 C ATOM 530 CD LYS A 37 7.524 2.575 1.519 1.00 0.00 C ATOM 531 CE LYS A 37 8.491 3.746 1.763 1.00 0.00 C ATOM 532 NZ LYS A 37 8.604 4.142 3.180 1.00 0.00 N ATOM 0 H LYS A 37 3.588 1.988 0.487 1.00 0.00 H new ATOM 0 HA LYS A 37 3.729 3.868 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.304 3.528 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.678 4.764 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.003 3.030 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.552 1.774 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.914 1.707 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.554 2.337 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.479 3.472 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.159 4.606 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.271 4.935 3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.671 4.434 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.949 3.336 3.739 1.00 0.00 H new ATOM 545 N PRO A 38 2.834 6.189 1.913 1.00 0.00 N ATOM 546 CA PRO A 38 1.888 7.311 1.703 1.00 0.00 C ATOM 547 C PRO A 38 1.556 7.904 0.301 1.00 0.00 C ATOM 548 O PRO A 38 0.377 8.129 0.015 1.00 0.00 O ATOM 549 CB PRO A 38 2.407 8.389 2.673 1.00 0.00 C ATOM 550 CG PRO A 38 3.040 7.618 3.829 1.00 0.00 C ATOM 551 CD PRO A 38 3.512 6.300 3.217 1.00 0.00 C ATOM 0 HA PRO A 38 0.897 6.890 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.136 9.038 2.187 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.596 9.027 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.873 8.172 4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.320 7.446 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.595 6.293 3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.258 5.458 3.861 1.00 0.00 H new ATOM 559 N ARG A 39 2.578 8.169 -0.536 1.00 0.00 N ATOM 560 CA ARG A 39 2.406 8.863 -1.838 1.00 0.00 C ATOM 561 C ARG A 39 3.247 8.181 -2.944 1.00 0.00 C ATOM 562 O ARG A 39 4.477 8.143 -2.868 1.00 0.00 O ATOM 563 CB ARG A 39 2.666 10.402 -1.742 1.00 0.00 C ATOM 564 CG ARG A 39 3.788 10.984 -0.835 1.00 0.00 C ATOM 565 CD ARG A 39 5.249 10.560 -1.087 1.00 0.00 C ATOM 566 NE ARG A 39 5.762 10.986 -2.413 1.00 0.00 N ATOM 567 CZ ARG A 39 6.884 10.512 -2.989 1.00 0.00 C ATOM 568 NH1 ARG A 39 7.676 9.594 -2.437 1.00 0.00 N ATOM 569 NH2 ARG A 39 7.221 10.987 -4.171 1.00 0.00 N ATOM 0 H ARG A 39 3.544 7.911 -0.335 1.00 0.00 H new ATOM 0 HA ARG A 39 1.358 8.766 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.864 10.753 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.731 10.862 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.743 12.070 -0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.544 10.727 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.883 10.982 -0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.325 9.476 -1.007 1.00 0.00 H new ATOM 0 HE ARG A 39 5.227 11.688 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.446 9.206 -1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.512 9.279 -2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.638 11.692 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.064 10.649 -4.635 1.00 0.00 H new ATOM 582 N LEU A 40 2.566 7.661 -3.989 1.00 0.00 N ATOM 583 CA LEU A 40 3.245 7.260 -5.244 1.00 0.00 C ATOM 584 C LEU A 40 3.005 8.426 -6.239 1.00 0.00 C ATOM 585 O LEU A 40 1.941 8.602 -6.841 1.00 0.00 O ATOM 586 CB LEU A 40 2.874 5.865 -5.794 1.00 0.00 C ATOM 587 CG LEU A 40 3.800 5.409 -6.970 1.00 0.00 C ATOM 588 CD1 LEU A 40 4.186 3.919 -6.889 1.00 0.00 C ATOM 589 CD2 LEU A 40 3.198 5.717 -8.352 1.00 0.00 C ATOM 0 H LEU A 40 1.557 7.510 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 40 4.308 7.112 -5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.933 5.134 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.839 5.878 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 40 4.709 5.999 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.828 3.663 -7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.718 3.731 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.284 3.307 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.882 5.380 -9.130 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.245 5.199 -8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.040 6.791 -8.449 1.00 0.00 H new ATOM 601 N ILE A 41 4.075 9.206 -6.342 1.00 0.00 N ATOM 602 CA ILE A 41 4.260 10.266 -7.371 1.00 0.00 C ATOM 603 C ILE A 41 5.802 10.320 -7.633 1.00 0.00 C ATOM 604 O ILE A 41 6.488 11.289 -7.294 1.00 0.00 O ATOM 605 CB ILE A 41 3.528 11.609 -6.998 1.00 0.00 C ATOM 606 CG1 ILE A 41 3.556 12.624 -8.178 1.00 0.00 C ATOM 607 CG2 ILE A 41 3.989 12.261 -5.666 1.00 0.00 C ATOM 608 CD1 ILE A 41 2.522 13.760 -8.098 1.00 0.00 C ATOM 0 H ILE A 41 4.867 9.130 -5.704 1.00 0.00 H new ATOM 0 HA ILE A 41 3.767 10.047 -8.318 1.00 0.00 H new ATOM 0 HB ILE A 41 2.493 11.319 -6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.551 13.065 -8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.399 12.078 -9.108 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.427 13.180 -5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.811 11.570 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.053 12.492 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.627 14.409 -8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.518 13.337 -8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.688 14.340 -7.190 1.00 0.00 H new ATOM 620 N MET A 42 6.329 9.227 -8.231 1.00 0.00 N ATOM 621 CA MET A 42 7.786 8.938 -8.352 1.00 0.00 C ATOM 622 C MET A 42 8.370 8.544 -6.957 1.00 0.00 C ATOM 623 O MET A 42 9.058 9.336 -6.304 1.00 0.00 O ATOM 624 CB MET A 42 8.596 10.016 -9.137 1.00 0.00 C ATOM 625 CG MET A 42 9.876 9.504 -9.827 1.00 0.00 C ATOM 626 SD MET A 42 11.058 8.780 -8.661 1.00 0.00 S ATOM 627 CE MET A 42 11.860 10.244 -7.973 1.00 0.00 C ATOM 0 H MET A 42 5.746 8.504 -8.653 1.00 0.00 H new ATOM 0 HA MET A 42 7.903 8.068 -8.999 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.946 10.456 -9.894 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.869 10.815 -8.448 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.607 8.758 -10.575 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.353 10.329 -10.356 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.609 9.939 -7.242 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.342 10.805 -8.774 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.114 10.873 -7.487 1.00 0.00 H new ATOM 637 N GLU A 43 8.092 7.303 -6.514 1.00 0.00 N ATOM 638 CA GLU A 43 8.538 6.738 -5.243 1.00 0.00 C ATOM 639 C GLU A 43 9.715 5.801 -5.633 1.00 0.00 C ATOM 640 O GLU A 43 10.797 6.259 -6.019 1.00 0.00 O ATOM 641 CB GLU A 43 7.165 6.393 -4.581 1.00 0.00 C ATOM 642 CG GLU A 43 7.245 5.395 -3.453 1.00 0.00 C ATOM 643 CD GLU A 43 5.931 5.132 -2.711 1.00 0.00 C ATOM 644 OE1 GLU A 43 5.067 4.353 -3.111 1.00 0.00 O ATOM 645 OE2 GLU A 43 5.837 5.863 -1.554 1.00 0.00 O ATOM 0 H GLU A 43 7.529 6.649 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 43 9.040 7.252 -4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.717 7.312 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.495 6.003 -5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.612 4.450 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.985 5.745 -2.733 1.00 0.00 H new ATOM 653 N GLY A 44 9.455 4.517 -5.556 1.00 0.00 N ATOM 654 CA GLY A 44 10.351 3.455 -6.069 1.00 0.00 C ATOM 655 C GLY A 44 9.629 2.167 -6.516 1.00 0.00 C ATOM 656 O GLY A 44 9.986 1.084 -6.045 1.00 0.00 O ATOM 0 H GLY A 44 8.603 4.153 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.916 3.851 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.073 3.201 -5.293 1.00 0.00 H new ATOM 660 N LEU A 45 8.661 2.286 -7.453 1.00 0.00 N ATOM 661 CA LEU A 45 7.939 1.155 -8.090 1.00 0.00 C ATOM 662 C LEU A 45 7.286 0.132 -7.111 1.00 0.00 C ATOM 663 O LEU A 45 7.896 -0.887 -6.768 1.00 0.00 O ATOM 664 CB LEU A 45 8.806 0.499 -9.209 1.00 0.00 C ATOM 665 CG LEU A 45 8.025 -0.317 -10.277 1.00 0.00 C ATOM 666 CD1 LEU A 45 7.150 0.588 -11.171 1.00 0.00 C ATOM 667 CD2 LEU A 45 8.988 -1.149 -11.146 1.00 0.00 C ATOM 0 H LEU A 45 8.350 3.194 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 45 7.064 1.597 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.366 1.285 -9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.536 -0.159 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 45 7.362 -0.993 -9.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.622 -0.024 -11.903 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.426 1.119 -10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.783 1.308 -11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.417 -1.711 -11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.686 -0.484 -11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.543 -1.842 -10.513 1.00 0.00 H new ATOM 679 N GLY A 46 6.039 0.411 -6.699 1.00 0.00 N ATOM 680 CA GLY A 46 5.212 -0.566 -5.951 1.00 0.00 C ATOM 681 C GLY A 46 3.981 -1.053 -6.743 1.00 0.00 C ATOM 682 O GLY A 46 2.843 -0.814 -6.332 1.00 0.00 O ATOM 0 H GLY A 46 5.576 1.304 -6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.828 -1.425 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.879 -0.111 -5.018 1.00 0.00 H new ATOM 686 N LEU A 47 4.229 -1.734 -7.877 1.00 0.00 N ATOM 687 CA LEU A 47 3.170 -2.181 -8.829 1.00 0.00 C ATOM 688 C LEU A 47 3.316 -3.656 -9.332 1.00 0.00 C ATOM 689 O LEU A 47 2.344 -4.179 -9.886 1.00 0.00 O ATOM 690 CB LEU A 47 3.073 -1.197 -10.037 1.00 0.00 C ATOM 691 CG LEU A 47 2.643 0.271 -9.734 1.00 0.00 C ATOM 692 CD1 LEU A 47 2.838 1.168 -10.972 1.00 0.00 C ATOM 693 CD2 LEU A 47 1.190 0.388 -9.226 1.00 0.00 C ATOM 0 H LEU A 47 5.171 -1.996 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 47 2.243 -2.165 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.046 -1.169 -10.527 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.366 -1.614 -10.755 1.00 0.00 H new ATOM 0 HG LEU A 47 3.293 0.613 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.531 2.187 -10.735 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.889 1.164 -11.263 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.232 0.789 -11.795 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.955 1.435 -9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.508 -0.005 -9.980 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.080 -0.183 -8.304 1.00 0.00 H new ATOM 705 N ALA A 48 4.470 -4.338 -9.151 1.00 0.00 N ATOM 706 CA ALA A 48 4.648 -5.762 -9.524 1.00 0.00 C ATOM 707 C ALA A 48 4.171 -6.684 -8.381 1.00 0.00 C ATOM 708 O ALA A 48 4.634 -6.662 -7.238 1.00 0.00 O ATOM 709 CB ALA A 48 6.131 -6.010 -9.851 1.00 0.00 C ATOM 710 OXT ALA A 48 3.165 -7.525 -8.783 1.00 0.00 O ATOM 0 H ALA A 48 5.305 -3.917 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 48 4.045 -5.990 -10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.273 -7.055 -10.127 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.432 -5.371 -10.681 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.740 -5.780 -8.977 1.00 0.00 H new TER 717 ALA A 48