USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.118 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.3!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.013) USER MOD Single : A 30 ASN : amide:sc= -5.59! C(o=-5.6!,f=-7.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= 0.236 (180deg=-1.19!) USER MOD Single : A 48 SER OG : rot 6:sc= -0.548! USER MOD Single : A 51 MET CE :methyl -152:sc= -0.221 (180deg=-0.688) USER MOD Single : A 57 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.925 -4.486 -25.336 1.00 0.00 N ATOM 2 CA ALA A 1 11.400 -3.089 -25.120 1.00 0.00 C ATOM 3 C ALA A 1 11.150 -2.682 -23.665 1.00 0.00 C ATOM 4 O ALA A 1 10.580 -3.427 -22.893 1.00 0.00 O ATOM 5 CB ALA A 1 10.642 -2.142 -26.054 1.00 0.00 C ATOM 0 H1 ALA A 1 11.728 -5.088 -25.608 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.503 -4.849 -24.458 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.212 -4.497 -26.093 1.00 0.00 H new ATOM 0 HA ALA A 1 12.467 -3.032 -25.333 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.989 -1.121 -25.896 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.822 -2.431 -27.089 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.574 -2.199 -25.842 1.00 0.00 H new ATOM 13 N GLN A 2 11.572 -1.507 -23.284 1.00 0.00 N ATOM 14 CA GLN A 2 11.358 -1.057 -21.878 1.00 0.00 C ATOM 15 C GLN A 2 9.989 -0.386 -21.759 1.00 0.00 C ATOM 16 O GLN A 2 9.225 -0.341 -22.703 1.00 0.00 O ATOM 17 CB GLN A 2 12.449 -0.056 -21.490 1.00 0.00 C ATOM 18 CG GLN A 2 13.346 -0.667 -20.411 1.00 0.00 C ATOM 19 CD GLN A 2 14.710 0.027 -20.426 1.00 0.00 C ATOM 20 OE1 GLN A 2 14.933 0.933 -21.205 1.00 0.00 O ATOM 21 NE2 GLN A 2 15.636 -0.360 -19.593 1.00 0.00 N ATOM 0 H GLN A 2 12.055 -0.839 -23.885 1.00 0.00 H new ATOM 0 HA GLN A 2 11.400 -1.919 -21.212 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.043 0.207 -22.365 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.997 0.865 -21.123 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.881 -0.557 -19.431 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.468 -1.736 -20.587 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.449 -1.120 -18.939 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.548 0.098 -19.595 1.00 0.00 H new ATOM 30 N GLU A 3 9.673 0.137 -20.606 1.00 0.00 N ATOM 31 CA GLU A 3 8.353 0.805 -20.431 1.00 0.00 C ATOM 32 C GLU A 3 8.535 2.323 -20.538 1.00 0.00 C ATOM 33 O GLU A 3 9.545 2.854 -20.120 1.00 0.00 O ATOM 34 CB GLU A 3 7.783 0.452 -19.056 1.00 0.00 C ATOM 35 CG GLU A 3 8.055 -1.024 -18.759 1.00 0.00 C ATOM 36 CD GLU A 3 6.808 -1.661 -18.142 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.834 -1.822 -18.858 1.00 0.00 O ATOM 38 OE2 GLU A 3 6.849 -1.978 -16.965 1.00 0.00 O ATOM 0 H GLU A 3 10.271 0.131 -19.779 1.00 0.00 H new ATOM 0 HA GLU A 3 7.665 0.466 -21.205 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.238 1.079 -18.289 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.711 0.648 -19.033 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.326 -1.546 -19.677 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.900 -1.119 -18.077 1.00 0.00 H new ATOM 45 N PRO A 4 7.548 2.976 -21.098 1.00 0.00 N ATOM 46 CA PRO A 4 7.566 4.438 -21.279 1.00 0.00 C ATOM 47 C PRO A 4 7.224 5.146 -19.966 1.00 0.00 C ATOM 48 O PRO A 4 6.174 5.741 -19.830 1.00 0.00 O ATOM 49 CB PRO A 4 6.478 4.682 -22.327 1.00 0.00 C ATOM 50 CG PRO A 4 5.531 3.459 -22.267 1.00 0.00 C ATOM 51 CD PRO A 4 6.325 2.319 -21.602 1.00 0.00 C ATOM 0 HA PRO A 4 8.541 4.819 -21.584 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.936 5.604 -22.116 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.913 4.788 -23.321 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.634 3.692 -21.694 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.205 3.172 -23.267 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.758 1.858 -20.793 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.562 1.530 -22.315 1.00 0.00 H new ATOM 59 N VAL A 5 8.101 5.088 -19.001 1.00 0.00 N ATOM 60 CA VAL A 5 7.826 5.758 -17.698 1.00 0.00 C ATOM 61 C VAL A 5 6.455 5.315 -17.175 1.00 0.00 C ATOM 62 O VAL A 5 6.345 4.351 -16.443 1.00 0.00 O ATOM 63 CB VAL A 5 7.846 7.276 -17.895 1.00 0.00 C ATOM 64 CG1 VAL A 5 7.538 7.969 -16.565 1.00 0.00 C ATOM 65 CG2 VAL A 5 9.235 7.705 -18.376 1.00 0.00 C ATOM 0 H VAL A 5 8.997 4.605 -19.059 1.00 0.00 H new ATOM 0 HA VAL A 5 8.590 5.480 -16.972 1.00 0.00 H new ATOM 0 HB VAL A 5 7.096 7.556 -18.635 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.552 9.050 -16.706 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.553 7.662 -16.214 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.289 7.689 -15.826 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.253 8.786 -18.518 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.981 7.424 -17.632 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.461 7.211 -19.321 1.00 0.00 H new ATOM 75 N LYS A 6 5.409 6.005 -17.544 1.00 0.00 N ATOM 76 CA LYS A 6 4.052 5.616 -17.066 1.00 0.00 C ATOM 77 C LYS A 6 3.268 4.978 -18.216 1.00 0.00 C ATOM 78 O LYS A 6 3.684 5.009 -19.358 1.00 0.00 O ATOM 79 CB LYS A 6 3.309 6.860 -16.575 1.00 0.00 C ATOM 80 CG LYS A 6 4.190 7.623 -15.583 1.00 0.00 C ATOM 81 CD LYS A 6 3.607 7.489 -14.176 1.00 0.00 C ATOM 82 CE LYS A 6 3.614 8.854 -13.486 1.00 0.00 C ATOM 83 NZ LYS A 6 4.950 9.093 -12.872 1.00 0.00 N ATOM 0 H LYS A 6 5.436 6.821 -18.156 1.00 0.00 H new ATOM 0 HA LYS A 6 4.147 4.901 -16.249 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.054 7.501 -17.419 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.372 6.572 -16.099 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.206 7.230 -15.606 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.248 8.674 -15.866 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.589 7.102 -14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.191 6.774 -13.596 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.388 9.639 -14.207 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.838 8.891 -12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.955 10.021 -12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.148 8.350 -12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.680 9.075 -13.612 1.00 0.00 H new ATOM 97 N GLY A 7 2.135 4.400 -17.925 1.00 0.00 N ATOM 98 CA GLY A 7 1.321 3.760 -18.999 1.00 0.00 C ATOM 99 C GLY A 7 0.226 2.902 -18.359 1.00 0.00 C ATOM 100 O GLY A 7 -0.936 3.252 -18.396 1.00 0.00 O ATOM 0 H GLY A 7 1.736 4.343 -16.988 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.875 4.523 -19.637 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.957 3.144 -19.635 1.00 0.00 H new ATOM 104 N PRO A 8 0.639 1.802 -17.783 1.00 0.00 N ATOM 105 CA PRO A 8 -0.277 0.866 -17.110 1.00 0.00 C ATOM 106 C PRO A 8 -0.658 1.416 -15.729 1.00 0.00 C ATOM 107 O PRO A 8 -0.652 2.611 -15.511 1.00 0.00 O ATOM 108 CB PRO A 8 0.550 -0.421 -16.998 1.00 0.00 C ATOM 109 CG PRO A 8 2.036 0.005 -17.083 1.00 0.00 C ATOM 110 CD PRO A 8 2.059 1.393 -17.748 1.00 0.00 C ATOM 0 HA PRO A 8 -1.216 0.707 -17.640 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.346 -0.933 -16.058 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.299 -1.115 -17.800 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.485 0.043 -16.091 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.612 -0.713 -17.666 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.663 2.098 -17.177 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.485 1.347 -18.750 1.00 0.00 H new ATOM 118 N VAL A 9 -0.993 0.564 -14.796 1.00 0.00 N ATOM 119 CA VAL A 9 -1.370 1.050 -13.443 1.00 0.00 C ATOM 120 C VAL A 9 -0.109 1.289 -12.604 1.00 0.00 C ATOM 121 O VAL A 9 -0.059 0.956 -11.436 1.00 0.00 O ATOM 122 CB VAL A 9 -2.237 -0.008 -12.765 1.00 0.00 C ATOM 123 CG1 VAL A 9 -3.456 -0.309 -13.641 1.00 0.00 C ATOM 124 CG2 VAL A 9 -1.419 -1.290 -12.579 1.00 0.00 C ATOM 0 H VAL A 9 -1.021 -0.449 -14.916 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.921 1.987 -13.531 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.568 0.361 -11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.075 -1.064 -13.156 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.038 0.602 -13.780 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.124 -0.679 -14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.035 -2.048 -12.095 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.091 -1.656 -13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.548 -1.079 -11.958 1.00 0.00 H new ATOM 134 N SER A 10 0.909 1.865 -13.186 1.00 0.00 N ATOM 135 CA SER A 10 2.160 2.126 -12.422 1.00 0.00 C ATOM 136 C SER A 10 2.736 0.806 -11.908 1.00 0.00 C ATOM 137 O SER A 10 2.203 0.193 -11.005 1.00 0.00 O ATOM 138 CB SER A 10 1.857 3.042 -11.235 1.00 0.00 C ATOM 139 OG SER A 10 2.957 3.916 -11.027 1.00 0.00 O ATOM 0 H SER A 10 0.926 2.166 -14.160 1.00 0.00 H new ATOM 0 HA SER A 10 2.885 2.608 -13.078 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.951 3.617 -11.426 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.674 2.448 -10.339 1.00 0.00 H new ATOM 0 HG SER A 10 2.767 4.506 -10.268 1.00 0.00 H new ATOM 145 N THR A 11 3.828 0.366 -12.472 1.00 0.00 N ATOM 146 CA THR A 11 4.443 -0.908 -12.009 1.00 0.00 C ATOM 147 C THR A 11 5.436 -0.601 -10.885 1.00 0.00 C ATOM 148 O THR A 11 5.778 -1.455 -10.093 1.00 0.00 O ATOM 149 CB THR A 11 5.176 -1.578 -13.174 1.00 0.00 C ATOM 150 OG1 THR A 11 4.225 -2.039 -14.126 1.00 0.00 O ATOM 151 CG2 THR A 11 5.991 -2.762 -12.653 1.00 0.00 C ATOM 0 H THR A 11 4.320 0.834 -13.233 1.00 0.00 H new ATOM 0 HA THR A 11 3.667 -1.580 -11.642 1.00 0.00 H new ATOM 0 HB THR A 11 5.845 -0.858 -13.645 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.692 -2.467 -14.874 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.512 -3.238 -13.483 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.719 -2.409 -11.922 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.324 -3.484 -12.182 1.00 0.00 H new ATOM 159 N LYS A 12 5.895 0.620 -10.812 1.00 0.00 N ATOM 160 CA LYS A 12 6.861 0.995 -9.741 1.00 0.00 C ATOM 161 C LYS A 12 6.413 2.309 -9.095 1.00 0.00 C ATOM 162 O LYS A 12 7.018 3.340 -9.308 1.00 0.00 O ATOM 163 CB LYS A 12 8.252 1.181 -10.350 1.00 0.00 C ATOM 164 CG LYS A 12 8.626 -0.058 -11.166 1.00 0.00 C ATOM 165 CD LYS A 12 9.565 0.346 -12.305 1.00 0.00 C ATOM 166 CE LYS A 12 8.957 -0.078 -13.643 1.00 0.00 C ATOM 167 NZ LYS A 12 9.795 -1.153 -14.246 1.00 0.00 N ATOM 0 H LYS A 12 5.641 1.375 -11.450 1.00 0.00 H new ATOM 0 HA LYS A 12 6.895 0.207 -8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.266 2.066 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.986 1.344 -9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.110 -0.796 -10.526 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.728 -0.526 -11.569 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.726 1.424 -12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.539 -0.124 -12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.938 -0.435 -13.496 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.901 0.777 -14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.384 -1.444 -15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.760 -0.796 -14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.826 -1.970 -13.604 1.00 0.00 H new ATOM 181 N PRO A 13 5.359 2.229 -8.325 1.00 0.00 N ATOM 182 CA PRO A 13 4.794 3.399 -7.630 1.00 0.00 C ATOM 183 C PRO A 13 5.637 3.749 -6.396 1.00 0.00 C ATOM 184 O PRO A 13 6.605 4.479 -6.484 1.00 0.00 O ATOM 185 CB PRO A 13 3.392 2.932 -7.228 1.00 0.00 C ATOM 186 CG PRO A 13 3.440 1.386 -7.197 1.00 0.00 C ATOM 187 CD PRO A 13 4.634 0.967 -8.077 1.00 0.00 C ATOM 0 HA PRO A 13 4.776 4.299 -8.245 1.00 0.00 H new ATOM 0 HB2 PRO A 13 3.114 3.332 -6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.646 3.283 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.563 1.022 -6.177 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.511 0.961 -7.577 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.266 0.237 -7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.301 0.509 -9.008 1.00 0.00 H new ATOM 195 N GLY A 14 5.279 3.238 -5.249 1.00 0.00 N ATOM 196 CA GLY A 14 6.063 3.547 -4.019 1.00 0.00 C ATOM 197 C GLY A 14 6.263 2.269 -3.203 1.00 0.00 C ATOM 198 O GLY A 14 6.303 1.179 -3.739 1.00 0.00 O ATOM 0 H GLY A 14 4.479 2.621 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.029 3.973 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.541 4.294 -3.421 1.00 0.00 H new ATOM 202 N SER A 15 6.392 2.393 -1.911 1.00 0.00 N ATOM 203 CA SER A 15 6.592 1.184 -1.063 1.00 0.00 C ATOM 204 C SER A 15 5.538 1.151 0.045 1.00 0.00 C ATOM 205 O SER A 15 5.234 2.156 0.657 1.00 0.00 O ATOM 206 CB SER A 15 7.983 1.231 -0.432 1.00 0.00 C ATOM 207 OG SER A 15 8.227 0.012 0.258 1.00 0.00 O ATOM 0 H SER A 15 6.368 3.279 -1.406 1.00 0.00 H new ATOM 0 HA SER A 15 6.497 0.291 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.739 1.384 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.054 2.073 0.257 1.00 0.00 H new ATOM 0 HG SER A 15 9.119 0.038 0.663 1.00 0.00 H new ATOM 213 N CYS A 16 4.982 0.002 0.312 1.00 0.00 N ATOM 214 CA CYS A 16 3.957 -0.094 1.380 1.00 0.00 C ATOM 215 C CYS A 16 4.632 0.093 2.743 1.00 0.00 C ATOM 216 O CYS A 16 5.802 -0.192 2.897 1.00 0.00 O ATOM 217 CB CYS A 16 3.286 -1.466 1.308 1.00 0.00 C ATOM 218 SG CYS A 16 2.612 -1.719 -0.354 1.00 0.00 S ATOM 0 H CYS A 16 5.196 -0.874 -0.166 1.00 0.00 H new ATOM 0 HA CYS A 16 3.202 0.681 1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.007 -2.249 1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.490 -1.533 2.049 1.00 0.00 H new ATOM 223 N PRO A 17 3.871 0.579 3.690 1.00 0.00 N ATOM 224 CA PRO A 17 4.366 0.831 5.057 1.00 0.00 C ATOM 225 C PRO A 17 4.430 -0.466 5.873 1.00 0.00 C ATOM 226 O PRO A 17 4.525 -0.437 7.084 1.00 0.00 O ATOM 227 CB PRO A 17 3.317 1.778 5.645 1.00 0.00 C ATOM 228 CG PRO A 17 2.023 1.560 4.825 1.00 0.00 C ATOM 229 CD PRO A 17 2.450 0.928 3.486 1.00 0.00 C ATOM 0 HA PRO A 17 5.376 1.241 5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.149 1.564 6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.649 2.814 5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.332 0.907 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.506 2.505 4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.853 0.047 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.326 1.626 2.658 1.00 0.00 H new ATOM 237 N ILE A 18 4.375 -1.601 5.232 1.00 0.00 N ATOM 238 CA ILE A 18 4.428 -2.880 5.993 1.00 0.00 C ATOM 239 C ILE A 18 3.203 -2.950 6.915 1.00 0.00 C ATOM 240 O ILE A 18 2.965 -2.066 7.713 1.00 0.00 O ATOM 241 CB ILE A 18 5.752 -2.942 6.789 1.00 0.00 C ATOM 242 CG1 ILE A 18 6.498 -4.225 6.416 1.00 0.00 C ATOM 243 CG2 ILE A 18 5.502 -2.931 8.304 1.00 0.00 C ATOM 244 CD1 ILE A 18 5.546 -5.417 6.522 1.00 0.00 C ATOM 0 H ILE A 18 4.296 -1.698 4.220 1.00 0.00 H new ATOM 0 HA ILE A 18 4.403 -3.738 5.322 1.00 0.00 H new ATOM 0 HB ILE A 18 6.343 -2.062 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.891 -4.148 5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.352 -4.368 7.078 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.455 -2.976 8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.978 -2.016 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.895 -3.794 8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 18 6.077 -6.331 6.256 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.175 -5.497 7.544 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.707 -5.274 5.841 1.00 0.00 H new ATOM 256 N ILE A 19 2.420 -3.986 6.797 1.00 0.00 N ATOM 257 CA ILE A 19 1.203 -4.102 7.652 1.00 0.00 C ATOM 258 C ILE A 19 0.982 -5.560 8.033 1.00 0.00 C ATOM 259 O ILE A 19 0.917 -6.413 7.177 1.00 0.00 O ATOM 260 CB ILE A 19 -0.003 -3.599 6.863 1.00 0.00 C ATOM 261 CG1 ILE A 19 0.311 -2.213 6.301 1.00 0.00 C ATOM 262 CG2 ILE A 19 -1.225 -3.520 7.775 1.00 0.00 C ATOM 263 CD1 ILE A 19 0.916 -2.362 4.904 1.00 0.00 C ATOM 0 H ILE A 19 2.569 -4.757 6.146 1.00 0.00 H new ATOM 0 HA ILE A 19 1.332 -3.509 8.557 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.217 -4.288 6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.597 -1.612 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.006 -1.690 6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.082 -3.160 7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.445 -4.510 8.175 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.022 -2.833 8.597 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.142 -1.376 4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.833 -2.948 4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.205 -2.868 4.252 1.00 0.00 H new ATOM 275 N LEU A 20 0.857 -5.840 9.311 1.00 0.00 N ATOM 276 CA LEU A 20 0.630 -7.241 9.768 1.00 0.00 C ATOM 277 C LEU A 20 1.431 -8.209 8.896 1.00 0.00 C ATOM 278 O LEU A 20 2.558 -8.548 9.197 1.00 0.00 O ATOM 279 CB LEU A 20 -0.860 -7.561 9.669 1.00 0.00 C ATOM 280 CG LEU A 20 -1.100 -9.007 10.090 1.00 0.00 C ATOM 281 CD1 LEU A 20 -0.843 -9.147 11.590 1.00 0.00 C ATOM 282 CD2 LEU A 20 -2.547 -9.387 9.775 1.00 0.00 C ATOM 0 H LEU A 20 0.904 -5.148 10.059 1.00 0.00 H new ATOM 0 HA LEU A 20 0.959 -7.348 10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.431 -6.886 10.307 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.209 -7.406 8.648 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.425 -9.668 9.547 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.014 -10.180 11.894 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.188 -8.870 11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.520 -8.491 12.138 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.725 -10.420 10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.223 -8.729 10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.726 -9.283 8.705 1.00 0.00 H new ATOM 294 N ILE A 21 0.865 -8.637 7.805 1.00 0.00 N ATOM 295 CA ILE A 21 1.589 -9.558 6.898 1.00 0.00 C ATOM 296 C ILE A 21 1.106 -9.324 5.460 1.00 0.00 C ATOM 297 O ILE A 21 1.702 -8.569 4.717 1.00 0.00 O ATOM 298 CB ILE A 21 1.351 -11.008 7.342 1.00 0.00 C ATOM 299 CG1 ILE A 21 1.641 -11.968 6.182 1.00 0.00 C ATOM 300 CG2 ILE A 21 -0.094 -11.187 7.816 1.00 0.00 C ATOM 301 CD1 ILE A 21 2.944 -11.555 5.496 1.00 0.00 C ATOM 0 H ILE A 21 -0.076 -8.385 7.503 1.00 0.00 H new ATOM 0 HA ILE A 21 2.661 -9.367 6.938 1.00 0.00 H new ATOM 0 HB ILE A 21 2.024 -11.234 8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.720 -12.990 6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.819 -11.951 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.249 -12.220 8.128 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.286 -10.521 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.777 -10.948 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.152 -12.236 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.847 -10.539 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.762 -11.595 6.215 1.00 0.00 H new ATOM 313 N ARG A 22 0.037 -9.949 5.061 1.00 0.00 N ATOM 314 CA ARG A 22 -0.468 -9.741 3.676 1.00 0.00 C ATOM 315 C ARG A 22 -1.805 -10.458 3.503 1.00 0.00 C ATOM 316 O ARG A 22 -2.106 -10.963 2.441 1.00 0.00 O ATOM 317 CB ARG A 22 0.541 -10.293 2.674 1.00 0.00 C ATOM 318 CG ARG A 22 0.629 -9.347 1.478 1.00 0.00 C ATOM 319 CD ARG A 22 1.872 -8.463 1.614 1.00 0.00 C ATOM 320 NE ARG A 22 2.910 -8.904 0.640 1.00 0.00 N ATOM 321 CZ ARG A 22 4.129 -8.445 0.733 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.345 -7.158 0.709 1.00 0.00 N ATOM 323 NH2 ARG A 22 5.132 -9.273 0.850 1.00 0.00 N ATOM 0 H ARG A 22 -0.509 -10.594 5.632 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.605 -8.674 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.519 -10.396 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.239 -11.287 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.677 -9.919 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.266 -8.728 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.610 -7.420 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.263 -8.523 2.630 1.00 0.00 H new ATOM 0 HE ARG A 22 2.668 -9.564 -0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.562 -6.511 0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.297 -6.799 0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.963 -10.279 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.084 -8.914 0.923 1.00 0.00 H new ATOM 337 N CYS A 23 -2.598 -10.478 4.551 1.00 0.00 N ATOM 338 CA CYS A 23 -3.954 -11.130 4.530 1.00 0.00 C ATOM 339 C CYS A 23 -4.215 -11.854 3.203 1.00 0.00 C ATOM 340 O CYS A 23 -4.717 -11.283 2.255 1.00 0.00 O ATOM 341 CB CYS A 23 -5.000 -10.034 4.780 1.00 0.00 C ATOM 342 SG CYS A 23 -6.594 -10.415 4.002 1.00 0.00 S ATOM 0 H CYS A 23 -2.355 -10.057 5.448 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.010 -11.892 5.307 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.143 -9.909 5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.628 -9.085 4.395 1.00 0.00 H new ATOM 347 N ALA A 24 -3.883 -13.112 3.132 1.00 0.00 N ATOM 348 CA ALA A 24 -4.129 -13.870 1.875 1.00 0.00 C ATOM 349 C ALA A 24 -5.380 -14.725 2.069 1.00 0.00 C ATOM 350 O ALA A 24 -5.336 -15.938 2.018 1.00 0.00 O ATOM 351 CB ALA A 24 -2.926 -14.765 1.568 1.00 0.00 C ATOM 0 H ALA A 24 -3.453 -13.647 3.887 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.272 -13.183 1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.110 -15.318 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.035 -14.149 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.775 -15.466 2.389 1.00 0.00 H new ATOM 357 N MET A 25 -6.497 -14.092 2.312 1.00 0.00 N ATOM 358 CA MET A 25 -7.756 -14.857 2.536 1.00 0.00 C ATOM 359 C MET A 25 -8.562 -14.953 1.230 1.00 0.00 C ATOM 360 O MET A 25 -8.277 -15.778 0.384 1.00 0.00 O ATOM 361 CB MET A 25 -8.580 -14.157 3.621 1.00 0.00 C ATOM 362 CG MET A 25 -8.313 -14.829 4.970 1.00 0.00 C ATOM 363 SD MET A 25 -8.894 -16.544 4.912 1.00 0.00 S ATOM 364 CE MET A 25 -8.355 -17.020 6.573 1.00 0.00 C ATOM 0 H MET A 25 -6.591 -13.078 2.365 1.00 0.00 H new ATOM 0 HA MET A 25 -7.514 -15.869 2.861 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.316 -13.100 3.669 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.641 -14.210 3.379 1.00 0.00 H new ATOM 0 HG2 MET A 25 -7.247 -14.802 5.198 1.00 0.00 H new ATOM 0 HG3 MET A 25 -8.823 -14.287 5.766 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.617 -18.062 6.756 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.275 -16.898 6.654 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.848 -16.387 7.311 1.00 0.00 H new ATOM 374 N LEU A 26 -9.571 -14.136 1.056 1.00 0.00 N ATOM 375 CA LEU A 26 -10.379 -14.220 -0.193 1.00 0.00 C ATOM 376 C LEU A 26 -10.272 -12.905 -0.977 1.00 0.00 C ATOM 377 O LEU A 26 -9.194 -12.375 -1.162 1.00 0.00 O ATOM 378 CB LEU A 26 -11.838 -14.500 0.175 1.00 0.00 C ATOM 379 CG LEU A 26 -12.389 -13.335 0.997 1.00 0.00 C ATOM 380 CD1 LEU A 26 -13.882 -13.169 0.705 1.00 0.00 C ATOM 381 CD2 LEU A 26 -12.190 -13.624 2.487 1.00 0.00 C ATOM 0 H LEU A 26 -9.866 -13.421 1.721 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.002 -15.027 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.433 -14.635 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.909 -15.427 0.745 1.00 0.00 H new ATOM 0 HG LEU A 26 -11.862 -12.419 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -14.277 -12.339 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.025 -12.965 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.409 -14.085 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.583 -12.794 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.719 -14.539 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.127 -13.745 2.695 1.00 0.00 H new ATOM 393 N ASN A 27 -11.371 -12.379 -1.456 1.00 0.00 N ATOM 394 CA ASN A 27 -11.307 -11.109 -2.235 1.00 0.00 C ATOM 395 C ASN A 27 -11.973 -9.980 -1.441 1.00 0.00 C ATOM 396 O ASN A 27 -13.161 -9.754 -1.566 1.00 0.00 O ATOM 397 CB ASN A 27 -12.034 -11.283 -3.574 1.00 0.00 C ATOM 398 CG ASN A 27 -12.036 -12.761 -3.980 1.00 0.00 C ATOM 399 OD1 ASN A 27 -11.211 -13.188 -4.764 1.00 0.00 O ATOM 400 ND2 ASN A 27 -12.933 -13.564 -3.475 1.00 0.00 N ATOM 0 H ASN A 27 -12.305 -12.773 -1.341 1.00 0.00 H new ATOM 0 HA ASN A 27 -10.262 -10.858 -2.419 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.058 -10.918 -3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.544 -10.686 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.941 -14.549 -3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.625 -13.206 -2.817 1.00 0.00 H new ATOM 407 N PRO A 28 -11.180 -9.300 -0.652 1.00 0.00 N ATOM 408 CA PRO A 28 -11.653 -8.177 0.177 1.00 0.00 C ATOM 409 C PRO A 28 -11.866 -6.929 -0.690 1.00 0.00 C ATOM 410 O PRO A 28 -11.453 -6.892 -1.832 1.00 0.00 O ATOM 411 CB PRO A 28 -10.513 -7.960 1.174 1.00 0.00 C ATOM 412 CG PRO A 28 -9.247 -8.566 0.525 1.00 0.00 C ATOM 413 CD PRO A 28 -9.738 -9.590 -0.515 1.00 0.00 C ATOM 0 HA PRO A 28 -12.607 -8.376 0.666 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.374 -6.899 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.732 -8.444 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.644 -7.791 0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.618 -9.046 1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.216 -9.475 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.567 -10.613 -0.179 1.00 0.00 H new ATOM 421 N PRO A 29 -12.506 -5.944 -0.116 1.00 0.00 N ATOM 422 CA PRO A 29 -12.792 -4.675 -0.807 1.00 0.00 C ATOM 423 C PRO A 29 -11.538 -3.798 -0.844 1.00 0.00 C ATOM 424 O PRO A 29 -10.519 -4.131 -0.272 1.00 0.00 O ATOM 425 CB PRO A 29 -13.881 -4.033 0.057 1.00 0.00 C ATOM 426 CG PRO A 29 -13.753 -4.669 1.461 1.00 0.00 C ATOM 427 CD PRO A 29 -13.004 -6.002 1.274 1.00 0.00 C ATOM 0 HA PRO A 29 -13.102 -4.809 -1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.751 -2.952 0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.870 -4.216 -0.364 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.208 -4.010 2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.736 -4.835 1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -12.185 -6.103 1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.665 -6.855 1.425 1.00 0.00 H new ATOM 435 N ASN A 30 -11.602 -2.680 -1.513 1.00 0.00 N ATOM 436 CA ASN A 30 -10.412 -1.790 -1.582 1.00 0.00 C ATOM 437 C ASN A 30 -10.859 -0.351 -1.848 1.00 0.00 C ATOM 438 O ASN A 30 -11.693 -0.097 -2.694 1.00 0.00 O ATOM 439 CB ASN A 30 -9.493 -2.254 -2.714 1.00 0.00 C ATOM 440 CG ASN A 30 -9.538 -3.780 -2.821 1.00 0.00 C ATOM 441 OD1 ASN A 30 -8.591 -4.453 -2.465 1.00 0.00 O ATOM 442 ND2 ASN A 30 -10.604 -4.359 -3.303 1.00 0.00 N ATOM 0 H ASN A 30 -12.426 -2.346 -2.013 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.875 -1.833 -0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.805 -1.804 -3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.472 -1.923 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.641 -5.375 -3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.400 -3.795 -3.602 1.00 0.00 H new ATOM 449 N ARG A 31 -10.306 0.592 -1.135 1.00 0.00 N ATOM 450 CA ARG A 31 -10.692 2.016 -1.351 1.00 0.00 C ATOM 451 C ARG A 31 -9.846 2.601 -2.484 1.00 0.00 C ATOM 452 O ARG A 31 -10.106 3.684 -2.972 1.00 0.00 O ATOM 453 CB ARG A 31 -10.451 2.812 -0.067 1.00 0.00 C ATOM 454 CG ARG A 31 -11.215 2.161 1.087 1.00 0.00 C ATOM 455 CD ARG A 31 -10.458 2.392 2.396 1.00 0.00 C ATOM 456 NE ARG A 31 -10.657 3.799 2.844 1.00 0.00 N ATOM 457 CZ ARG A 31 -11.186 4.041 4.011 1.00 0.00 C ATOM 458 NH1 ARG A 31 -10.886 3.284 5.032 1.00 0.00 N ATOM 459 NH2 ARG A 31 -12.013 5.040 4.162 1.00 0.00 N ATOM 0 H ARG A 31 -9.603 0.438 -0.412 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.748 2.073 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.385 2.843 0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.779 3.843 -0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.218 2.582 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.329 1.092 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.814 1.702 3.161 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.396 2.191 2.255 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.380 4.572 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.238 2.504 4.916 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.299 3.472 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.247 5.633 3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.425 5.227 5.076 1.00 0.00 H new ATOM 473 N CYS A 32 -8.840 1.887 -2.911 1.00 0.00 N ATOM 474 CA CYS A 32 -7.980 2.382 -4.012 1.00 0.00 C ATOM 475 C CYS A 32 -7.233 1.190 -4.595 1.00 0.00 C ATOM 476 O CYS A 32 -7.157 0.141 -3.988 1.00 0.00 O ATOM 477 CB CYS A 32 -6.974 3.402 -3.471 1.00 0.00 C ATOM 478 SG CYS A 32 -5.877 2.591 -2.280 1.00 0.00 S ATOM 0 H CYS A 32 -8.579 0.974 -2.538 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.588 2.865 -4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.391 3.824 -4.290 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.499 4.229 -2.994 1.00 0.00 H new ATOM 483 N LEU A 33 -6.678 1.333 -5.758 1.00 0.00 N ATOM 484 CA LEU A 33 -5.939 0.197 -6.371 1.00 0.00 C ATOM 485 C LEU A 33 -4.958 0.757 -7.408 1.00 0.00 C ATOM 486 O LEU A 33 -3.756 0.613 -7.293 1.00 0.00 O ATOM 487 CB LEU A 33 -6.944 -0.741 -7.047 1.00 0.00 C ATOM 488 CG LEU A 33 -7.884 -1.364 -6.011 1.00 0.00 C ATOM 489 CD1 LEU A 33 -8.896 -2.258 -6.727 1.00 0.00 C ATOM 490 CD2 LEU A 33 -7.077 -2.211 -5.024 1.00 0.00 C ATOM 0 H LEU A 33 -6.702 2.187 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.387 -0.358 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.524 -0.189 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.412 -1.528 -7.582 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.402 -0.572 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.569 -2.705 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.473 -1.661 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.369 -3.046 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.750 -2.652 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.559 -3.004 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.347 -1.581 -4.516 1.00 0.00 H new ATOM 502 N LYS A 34 -5.475 1.423 -8.398 1.00 0.00 N ATOM 503 CA LYS A 34 -4.608 2.046 -9.447 1.00 0.00 C ATOM 504 C LYS A 34 -4.871 3.546 -9.442 1.00 0.00 C ATOM 505 O LYS A 34 -3.978 4.355 -9.588 1.00 0.00 O ATOM 506 CB LYS A 34 -4.967 1.505 -10.837 1.00 0.00 C ATOM 507 CG LYS A 34 -5.325 0.027 -10.748 1.00 0.00 C ATOM 508 CD LYS A 34 -4.183 -0.724 -10.076 1.00 0.00 C ATOM 509 CE LYS A 34 -4.763 -1.759 -9.122 1.00 0.00 C ATOM 510 NZ LYS A 34 -4.109 -3.080 -9.353 1.00 0.00 N ATOM 0 H LYS A 34 -6.476 1.567 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.564 1.817 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.806 2.066 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.127 1.643 -11.518 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.246 -0.103 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.505 -0.377 -11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.560 -1.211 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.543 -0.028 -9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.610 -1.442 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.839 -1.844 -9.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.508 -3.784 -8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.277 -3.384 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.086 -2.995 -9.187 1.00 0.00 H new ATOM 524 N ASP A 35 -6.110 3.908 -9.280 1.00 0.00 N ATOM 525 CA ASP A 35 -6.489 5.349 -9.264 1.00 0.00 C ATOM 526 C ASP A 35 -6.290 5.916 -7.857 1.00 0.00 C ATOM 527 O ASP A 35 -7.213 6.414 -7.243 1.00 0.00 O ATOM 528 CB ASP A 35 -7.960 5.491 -9.661 1.00 0.00 C ATOM 529 CG ASP A 35 -8.082 6.430 -10.863 1.00 0.00 C ATOM 530 OD1 ASP A 35 -7.060 6.757 -11.443 1.00 0.00 O ATOM 531 OD2 ASP A 35 -9.198 6.807 -11.182 1.00 0.00 O ATOM 0 H ASP A 35 -6.888 3.260 -9.156 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.863 5.896 -9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.376 4.514 -9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.537 5.881 -8.823 1.00 0.00 H new ATOM 536 N THR A 36 -5.095 5.843 -7.344 1.00 0.00 N ATOM 537 CA THR A 36 -4.832 6.377 -5.979 1.00 0.00 C ATOM 538 C THR A 36 -5.541 7.722 -5.811 1.00 0.00 C ATOM 539 O THR A 36 -5.355 8.636 -6.588 1.00 0.00 O ATOM 540 CB THR A 36 -3.324 6.569 -5.793 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.651 5.366 -6.134 1.00 0.00 O ATOM 542 CG2 THR A 36 -3.028 6.928 -4.338 1.00 0.00 C ATOM 0 H THR A 36 -4.286 5.435 -7.812 1.00 0.00 H new ATOM 0 HA THR A 36 -5.206 5.675 -5.234 1.00 0.00 H new ATOM 0 HB THR A 36 -2.977 7.376 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.686 5.487 -6.017 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.954 7.064 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.545 7.852 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.373 6.124 -3.687 1.00 0.00 H new ATOM 550 N ASP A 37 -6.353 7.850 -4.797 1.00 0.00 N ATOM 551 CA ASP A 37 -7.073 9.135 -4.578 1.00 0.00 C ATOM 552 C ASP A 37 -6.587 9.772 -3.275 1.00 0.00 C ATOM 553 O ASP A 37 -7.368 10.242 -2.471 1.00 0.00 O ATOM 554 CB ASP A 37 -8.577 8.867 -4.492 1.00 0.00 C ATOM 555 CG ASP A 37 -9.017 8.042 -5.701 1.00 0.00 C ATOM 556 OD1 ASP A 37 -9.367 8.639 -6.706 1.00 0.00 O ATOM 557 OD2 ASP A 37 -8.995 6.826 -5.604 1.00 0.00 O ATOM 0 H ASP A 37 -6.548 7.120 -4.112 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.875 9.813 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.810 8.334 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.124 9.809 -4.463 1.00 0.00 H new ATOM 562 N CYS A 38 -5.299 9.788 -3.059 1.00 0.00 N ATOM 563 CA CYS A 38 -4.758 10.392 -1.808 1.00 0.00 C ATOM 564 C CYS A 38 -4.196 11.786 -2.122 1.00 0.00 C ATOM 565 O CYS A 38 -3.248 11.906 -2.872 1.00 0.00 O ATOM 566 CB CYS A 38 -3.632 9.513 -1.248 1.00 0.00 C ATOM 567 SG CYS A 38 -3.947 7.773 -1.642 1.00 0.00 S ATOM 0 H CYS A 38 -4.598 9.409 -3.695 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.558 10.468 -1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.675 9.822 -1.669 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.562 9.643 -0.168 1.00 0.00 H new ATOM 572 N PRO A 39 -4.791 12.802 -1.543 1.00 0.00 N ATOM 573 CA PRO A 39 -4.355 14.193 -1.758 1.00 0.00 C ATOM 574 C PRO A 39 -3.102 14.494 -0.928 1.00 0.00 C ATOM 575 O PRO A 39 -3.174 14.706 0.267 1.00 0.00 O ATOM 576 CB PRO A 39 -5.545 15.022 -1.274 1.00 0.00 C ATOM 577 CG PRO A 39 -6.340 14.118 -0.303 1.00 0.00 C ATOM 578 CD PRO A 39 -5.943 12.666 -0.626 1.00 0.00 C ATOM 0 HA PRO A 39 -4.090 14.405 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.208 15.929 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.168 15.334 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.105 14.362 0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.413 14.263 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -5.672 12.117 0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.764 12.123 -1.095 1.00 0.00 H new ATOM 586 N GLY A 40 -1.956 14.513 -1.552 1.00 0.00 N ATOM 587 CA GLY A 40 -0.701 14.799 -0.799 1.00 0.00 C ATOM 588 C GLY A 40 0.417 13.884 -1.303 1.00 0.00 C ATOM 589 O GLY A 40 0.650 13.769 -2.490 1.00 0.00 O ATOM 0 H GLY A 40 -1.834 14.343 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.417 15.843 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.861 14.642 0.268 1.00 0.00 H new ATOM 593 N ILE A 41 1.109 13.230 -0.412 1.00 0.00 N ATOM 594 CA ILE A 41 2.208 12.322 -0.845 1.00 0.00 C ATOM 595 C ILE A 41 1.881 10.892 -0.414 1.00 0.00 C ATOM 596 O ILE A 41 2.630 10.264 0.308 1.00 0.00 O ATOM 597 CB ILE A 41 3.522 12.759 -0.197 1.00 0.00 C ATOM 598 CG1 ILE A 41 4.667 11.894 -0.729 1.00 0.00 C ATOM 599 CG2 ILE A 41 3.424 12.589 1.321 1.00 0.00 C ATOM 600 CD1 ILE A 41 4.777 12.058 -2.247 1.00 0.00 C ATOM 0 H ILE A 41 0.962 13.285 0.596 1.00 0.00 H new ATOM 0 HA ILE A 41 2.308 12.366 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 41 3.713 13.805 -0.437 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.604 12.183 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.492 10.848 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.361 12.900 1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.609 13.203 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.233 11.542 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.593 11.440 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.843 11.747 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.973 13.103 -2.487 1.00 0.00 H new ATOM 612 N LYS A 42 0.768 10.371 -0.849 1.00 0.00 N ATOM 613 CA LYS A 42 0.396 8.982 -0.461 1.00 0.00 C ATOM 614 C LYS A 42 0.467 8.074 -1.690 1.00 0.00 C ATOM 615 O LYS A 42 0.825 8.501 -2.770 1.00 0.00 O ATOM 616 CB LYS A 42 -1.028 8.973 0.098 1.00 0.00 C ATOM 617 CG LYS A 42 -1.020 8.387 1.513 1.00 0.00 C ATOM 618 CD LYS A 42 -1.457 9.459 2.513 1.00 0.00 C ATOM 619 CE LYS A 42 -0.283 10.399 2.796 1.00 0.00 C ATOM 620 NZ LYS A 42 -0.476 11.050 4.123 1.00 0.00 N ATOM 0 H LYS A 42 0.100 10.846 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 42 1.087 8.619 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.429 9.986 0.115 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.679 8.383 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.691 7.530 1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.022 8.027 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.300 10.022 2.114 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.795 8.993 3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.654 9.842 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.213 11.156 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.322 11.689 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.362 11.595 4.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.523 10.321 4.864 1.00 0.00 H new ATOM 634 N LYS A 43 0.131 6.824 -1.532 1.00 0.00 N ATOM 635 CA LYS A 43 0.178 5.887 -2.685 1.00 0.00 C ATOM 636 C LYS A 43 -0.623 4.634 -2.333 1.00 0.00 C ATOM 637 O LYS A 43 -0.396 4.008 -1.316 1.00 0.00 O ATOM 638 CB LYS A 43 1.631 5.509 -2.973 1.00 0.00 C ATOM 639 CG LYS A 43 1.751 5.003 -4.410 1.00 0.00 C ATOM 640 CD LYS A 43 1.385 3.520 -4.457 1.00 0.00 C ATOM 641 CE LYS A 43 0.622 3.224 -5.749 1.00 0.00 C ATOM 642 NZ LYS A 43 0.563 1.752 -5.967 1.00 0.00 N ATOM 0 H LYS A 43 -0.175 6.411 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.249 6.360 -3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.279 6.373 -2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.963 4.739 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.091 5.573 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.767 5.150 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.287 2.910 -4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.774 3.258 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.386 3.634 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.114 3.708 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.480 1.555 -6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.430 1.311 -5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.262 1.360 -5.470 1.00 0.00 H new ATOM 656 N CYS A 44 -1.570 4.268 -3.152 1.00 0.00 N ATOM 657 CA CYS A 44 -2.387 3.064 -2.840 1.00 0.00 C ATOM 658 C CYS A 44 -1.481 1.843 -2.652 1.00 0.00 C ATOM 659 O CYS A 44 -0.854 1.371 -3.579 1.00 0.00 O ATOM 660 CB CYS A 44 -3.386 2.802 -3.969 1.00 0.00 C ATOM 661 SG CYS A 44 -4.569 1.554 -3.418 1.00 0.00 S ATOM 0 H CYS A 44 -1.812 4.748 -4.019 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.934 3.243 -1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.905 3.723 -4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.865 2.460 -4.863 1.00 0.00 H new ATOM 666 N CYS A 45 -1.413 1.330 -1.450 1.00 0.00 N ATOM 667 CA CYS A 45 -0.557 0.138 -1.184 1.00 0.00 C ATOM 668 C CYS A 45 -1.411 -0.965 -0.555 1.00 0.00 C ATOM 669 O CYS A 45 -2.619 -0.969 -0.678 1.00 0.00 O ATOM 670 CB CYS A 45 0.572 0.534 -0.236 1.00 0.00 C ATOM 671 SG CYS A 45 2.173 0.148 -0.991 1.00 0.00 S ATOM 0 H CYS A 45 -1.917 1.688 -0.639 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.129 -0.231 -2.116 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.513 1.599 -0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.468 0.002 0.710 1.00 0.00 H new ATOM 676 N GLU A 46 -0.799 -1.905 0.110 1.00 0.00 N ATOM 677 CA GLU A 46 -1.588 -3.003 0.732 1.00 0.00 C ATOM 678 C GLU A 46 -1.435 -2.954 2.252 1.00 0.00 C ATOM 679 O GLU A 46 -0.369 -3.182 2.787 1.00 0.00 O ATOM 680 CB GLU A 46 -1.081 -4.344 0.204 1.00 0.00 C ATOM 681 CG GLU A 46 -0.764 -4.208 -1.285 1.00 0.00 C ATOM 682 CD GLU A 46 -0.778 -5.590 -1.941 1.00 0.00 C ATOM 683 OE1 GLU A 46 -1.722 -6.325 -1.707 1.00 0.00 O ATOM 684 OE2 GLU A 46 0.154 -5.888 -2.670 1.00 0.00 O ATOM 0 H GLU A 46 0.210 -1.960 0.249 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.642 -2.885 0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.190 -4.651 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.833 -5.118 0.359 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.496 -3.559 -1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.212 -3.741 -1.418 1.00 0.00 H new ATOM 691 N GLY A 47 -2.496 -2.660 2.951 1.00 0.00 N ATOM 692 CA GLY A 47 -2.416 -2.600 4.438 1.00 0.00 C ATOM 693 C GLY A 47 -2.835 -3.946 5.017 1.00 0.00 C ATOM 694 O GLY A 47 -3.809 -4.046 5.739 1.00 0.00 O ATOM 0 H GLY A 47 -3.415 -2.459 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.400 -2.357 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.064 -1.810 4.817 1.00 0.00 H new ATOM 698 N SER A 48 -2.110 -4.984 4.710 1.00 0.00 N ATOM 699 CA SER A 48 -2.475 -6.322 5.245 1.00 0.00 C ATOM 700 C SER A 48 -3.988 -6.518 5.101 1.00 0.00 C ATOM 701 O SER A 48 -4.739 -6.245 6.015 1.00 0.00 O ATOM 702 CB SER A 48 -2.093 -6.404 6.723 1.00 0.00 C ATOM 703 OG SER A 48 -3.044 -5.685 7.497 1.00 0.00 O ATOM 0 H SER A 48 -1.283 -4.963 4.113 1.00 0.00 H new ATOM 0 HA SER A 48 -1.944 -7.097 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.059 -7.445 7.044 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.096 -5.991 6.876 1.00 0.00 H new ATOM 0 HG SER A 48 -3.773 -5.379 6.918 1.00 0.00 H new ATOM 709 N CYS A 49 -4.435 -6.976 3.955 1.00 0.00 N ATOM 710 CA CYS A 49 -5.902 -7.189 3.728 1.00 0.00 C ATOM 711 C CYS A 49 -6.537 -5.894 3.219 1.00 0.00 C ATOM 712 O CYS A 49 -6.763 -4.964 3.967 1.00 0.00 O ATOM 713 CB CYS A 49 -6.586 -7.617 5.032 1.00 0.00 C ATOM 714 SG CYS A 49 -7.772 -8.943 4.704 1.00 0.00 S ATOM 0 H CYS A 49 -3.841 -7.213 3.160 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.032 -7.976 2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.839 -7.956 5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.096 -6.765 5.481 1.00 0.00 H new ATOM 719 N GLY A 50 -6.831 -5.829 1.948 1.00 0.00 N ATOM 720 CA GLY A 50 -7.456 -4.599 1.385 1.00 0.00 C ATOM 721 C GLY A 50 -6.379 -3.556 1.085 1.00 0.00 C ATOM 722 O GLY A 50 -5.333 -3.530 1.702 1.00 0.00 O ATOM 0 H GLY A 50 -6.665 -6.577 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.002 -4.843 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.180 -4.193 2.091 1.00 0.00 H new ATOM 726 N MET A 51 -6.634 -2.691 0.141 1.00 0.00 N ATOM 727 CA MET A 51 -5.636 -1.640 -0.205 1.00 0.00 C ATOM 728 C MET A 51 -6.178 -0.273 0.217 1.00 0.00 C ATOM 729 O MET A 51 -7.361 -0.106 0.437 1.00 0.00 O ATOM 730 CB MET A 51 -5.390 -1.632 -1.718 1.00 0.00 C ATOM 731 CG MET A 51 -5.509 -3.052 -2.280 1.00 0.00 C ATOM 732 SD MET A 51 -3.994 -3.973 -1.923 1.00 0.00 S ATOM 733 CE MET A 51 -3.542 -4.334 -3.639 1.00 0.00 C ATOM 0 H MET A 51 -7.494 -2.667 -0.407 1.00 0.00 H new ATOM 0 HA MET A 51 -4.701 -1.850 0.314 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.111 -0.977 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.399 -1.231 -1.931 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.367 -3.558 -1.838 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.680 -3.015 -3.356 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.967 -5.259 -3.677 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.446 -4.443 -4.238 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.940 -3.517 -4.036 1.00 0.00 H new ATOM 743 N ALA A 52 -5.324 0.708 0.324 1.00 0.00 N ATOM 744 CA ALA A 52 -5.795 2.064 0.723 1.00 0.00 C ATOM 745 C ALA A 52 -4.654 3.070 0.555 1.00 0.00 C ATOM 746 O ALA A 52 -3.630 2.765 -0.021 1.00 0.00 O ATOM 747 CB ALA A 52 -6.257 2.038 2.179 1.00 0.00 C ATOM 0 H ALA A 52 -4.322 0.629 0.153 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.631 2.361 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.601 3.031 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.073 1.324 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.426 1.740 2.819 1.00 0.00 H new ATOM 753 N CYS A 53 -4.826 4.271 1.037 1.00 0.00 N ATOM 754 CA CYS A 53 -3.761 5.301 0.885 1.00 0.00 C ATOM 755 C CYS A 53 -2.622 5.061 1.885 1.00 0.00 C ATOM 756 O CYS A 53 -2.800 5.165 3.083 1.00 0.00 O ATOM 757 CB CYS A 53 -4.366 6.681 1.142 1.00 0.00 C ATOM 758 SG CYS A 53 -5.335 7.198 -0.296 1.00 0.00 S ATOM 0 H CYS A 53 -5.662 4.583 1.531 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.357 5.241 -0.126 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.000 6.652 2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.575 7.405 1.339 1.00 0.00 H new ATOM 763 N PHE A 54 -1.448 4.763 1.395 1.00 0.00 N ATOM 764 CA PHE A 54 -0.284 4.539 2.297 1.00 0.00 C ATOM 765 C PHE A 54 0.892 5.388 1.810 1.00 0.00 C ATOM 766 O PHE A 54 1.161 5.461 0.627 1.00 0.00 O ATOM 767 CB PHE A 54 0.130 3.071 2.253 1.00 0.00 C ATOM 768 CG PHE A 54 -0.960 2.210 2.831 1.00 0.00 C ATOM 769 CD1 PHE A 54 -1.308 2.349 4.175 1.00 0.00 C ATOM 770 CD2 PHE A 54 -1.614 1.269 2.028 1.00 0.00 C ATOM 771 CE1 PHE A 54 -2.315 1.549 4.725 1.00 0.00 C ATOM 772 CE2 PHE A 54 -2.621 0.465 2.576 1.00 0.00 C ATOM 773 CZ PHE A 54 -2.971 0.605 3.925 1.00 0.00 C ATOM 0 H PHE A 54 -1.246 4.665 0.400 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.560 4.813 3.315 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.333 2.773 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.053 2.928 2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.799 3.075 4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.343 1.163 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.586 1.659 5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.127 -0.262 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.747 -0.015 4.348 1.00 0.00 H new ATOM 783 N VAL A 55 1.603 6.020 2.702 1.00 0.00 N ATOM 784 CA VAL A 55 2.762 6.843 2.262 1.00 0.00 C ATOM 785 C VAL A 55 3.797 5.920 1.604 1.00 0.00 C ATOM 786 O VAL A 55 4.125 4.886 2.152 1.00 0.00 O ATOM 787 CB VAL A 55 3.387 7.543 3.471 1.00 0.00 C ATOM 788 CG1 VAL A 55 3.727 6.508 4.548 1.00 0.00 C ATOM 789 CG2 VAL A 55 4.668 8.262 3.036 1.00 0.00 C ATOM 0 H VAL A 55 1.433 6.003 3.708 1.00 0.00 H new ATOM 0 HA VAL A 55 2.432 7.599 1.549 1.00 0.00 H new ATOM 0 HB VAL A 55 2.679 8.266 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.172 7.010 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.817 5.994 4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.434 5.783 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.115 8.761 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.373 7.536 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.429 9.001 2.271 1.00 0.00 H new ATOM 799 N PRO A 56 4.272 6.310 0.444 1.00 0.00 N ATOM 800 CA PRO A 56 5.264 5.522 -0.311 1.00 0.00 C ATOM 801 C PRO A 56 6.676 5.770 0.229 1.00 0.00 C ATOM 802 O PRO A 56 7.590 6.073 -0.512 1.00 0.00 O ATOM 803 CB PRO A 56 5.137 6.060 -1.736 1.00 0.00 C ATOM 804 CG PRO A 56 4.534 7.478 -1.612 1.00 0.00 C ATOM 805 CD PRO A 56 3.862 7.559 -0.229 1.00 0.00 C ATOM 0 HA PRO A 56 5.094 4.448 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.109 6.093 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.496 5.416 -2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.310 8.237 -1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.809 7.660 -2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.194 8.438 0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.778 7.628 -0.316 1.00 0.00 H new ATOM 813 N GLN A 57 6.862 5.639 1.511 1.00 0.00 N ATOM 814 CA GLN A 57 8.210 5.862 2.101 1.00 0.00 C ATOM 815 C GLN A 57 8.590 7.338 1.969 1.00 0.00 C ATOM 816 O GLN A 57 8.984 7.919 2.966 1.00 0.00 O ATOM 817 CB GLN A 57 9.228 5.002 1.353 1.00 0.00 C ATOM 818 CG GLN A 57 9.678 3.843 2.246 1.00 0.00 C ATOM 819 CD GLN A 57 11.198 3.879 2.409 1.00 0.00 C ATOM 820 OE1 GLN A 57 11.787 4.937 2.505 1.00 0.00 O ATOM 821 NE2 GLN A 57 11.864 2.757 2.444 1.00 0.00 N ATOM 822 OXT GLN A 57 8.482 7.862 0.872 1.00 0.00 O ATOM 0 H GLN A 57 6.134 5.386 2.180 1.00 0.00 H new ATOM 0 HA GLN A 57 8.200 5.588 3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.787 4.616 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.088 5.607 1.065 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.196 3.914 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.372 2.893 1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.370 1.868 2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.878 2.769 2.552 1.00 0.00 H new TER 831 GLN A 57