USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 605 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 5 THR OG1 : rot -43:sc= -0.961 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : +bothHN:sc= 1.36 K(o=1.4,f=-6.9!) USER MOD Single : A 14 TYR OH : rot 30:sc= -0.0725 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -172:sc=-0.00651 (180deg=-0.0789) USER MOD Single : A 23 LYS NZ :NH3+ 169:sc= -0.015 (180deg=-0.156) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 45:sc= 0.807 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= -1.06 (180deg=-3.13!) USER MOD Single : A 37 THR OG1 : rot 90:sc= -0.028 USER MOD Single : A 42 THR OG1 : rot 45:sc= 0.233 USER MOD Single : A 43 THR OG1 : rot -104:sc= 0.877 USER MOD Single : A 47 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-0.78) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.083 USER MOD Single : A 50 GLN : amide:sc= -4.52! C(o=-4.5!,f=-5.2!) USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= 0.517 (180deg=-2.51!) USER MOD Single : A 55 HIS :FLIP no HE2:sc= -0.136 F(o=-0.87,f=-0.14) USER MOD Single : A 58 SER OG : rot -98:sc= 0.221 USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0516) USER MOD Single : A 67 GLN : amide:sc= -6.48! C(o=-6.5!,f=-9.4!) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.03 (180deg=-0.223) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= -0.296 (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 22 N PRO A 2 -15.414 5.234 -2.246 1.00 0.00 N ATOM 23 CA PRO A 2 -14.506 6.078 -3.030 1.00 0.00 C ATOM 24 C PRO A 2 -14.033 5.391 -4.308 1.00 0.00 C ATOM 25 O PRO A 2 -13.841 4.177 -4.338 1.00 0.00 O ATOM 26 CB PRO A 2 -13.335 6.329 -2.076 1.00 0.00 C ATOM 27 CG PRO A 2 -13.923 6.164 -0.721 1.00 0.00 C ATOM 28 CD PRO A 2 -14.955 5.085 -0.858 1.00 0.00 C ATOM 0 HA PRO A 2 -14.990 6.993 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.524 5.621 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.920 7.328 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.160 5.887 0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.372 7.094 -0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.531 4.097 -0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.771 5.216 -0.148 1.00 0.00 H new ATOM 36 N ARG A 3 -13.795 6.208 -5.333 1.00 0.00 N ATOM 37 CA ARG A 3 -13.588 5.751 -6.713 1.00 0.00 C ATOM 38 C ARG A 3 -12.601 4.586 -6.836 1.00 0.00 C ATOM 39 O ARG A 3 -12.835 3.643 -7.590 1.00 0.00 O ATOM 40 CB ARG A 3 -13.086 6.925 -7.561 1.00 0.00 C ATOM 41 CG ARG A 3 -13.033 6.630 -9.048 1.00 0.00 C ATOM 42 CD ARG A 3 -12.388 7.776 -9.806 1.00 0.00 C ATOM 43 NE ARG A 3 -12.420 7.566 -11.250 1.00 0.00 N ATOM 44 CZ ARG A 3 -11.478 7.998 -12.087 1.00 0.00 C ATOM 45 NH1 ARG A 3 -10.394 8.611 -11.622 1.00 0.00 N ATOM 46 NH2 ARG A 3 -11.617 7.805 -13.392 1.00 0.00 N ATOM 0 H ARG A 3 -13.739 7.221 -5.230 1.00 0.00 H new ATOM 0 HA ARG A 3 -14.551 5.384 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.735 7.785 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.090 7.207 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.470 5.712 -9.221 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.042 6.461 -9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.903 8.706 -9.564 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.354 7.890 -9.479 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.212 7.057 -11.642 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.279 8.753 -10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.677 8.939 -12.269 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.443 7.327 -13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.898 8.134 -14.036 1.00 0.00 H new ATOM 60 N ASP A 4 -11.507 4.648 -6.098 1.00 0.00 N ATOM 61 CA ASP A 4 -10.422 3.685 -6.263 1.00 0.00 C ATOM 62 C ASP A 4 -10.319 2.727 -5.085 1.00 0.00 C ATOM 63 O ASP A 4 -9.418 1.895 -5.049 1.00 0.00 O ATOM 64 CB ASP A 4 -9.086 4.406 -6.426 1.00 0.00 C ATOM 65 CG ASP A 4 -9.045 5.316 -7.635 1.00 0.00 C ATOM 66 OD1 ASP A 4 -8.867 4.803 -8.760 1.00 0.00 O ATOM 67 OD2 ASP A 4 -9.171 6.550 -7.461 1.00 0.00 O ATOM 0 H ASP A 4 -11.342 5.352 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.651 3.108 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.885 4.993 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.289 3.667 -6.508 1.00 0.00 H new ATOM 72 N THR A 5 -11.227 2.830 -4.124 1.00 0.00 N ATOM 73 CA THR A 5 -11.160 1.973 -2.949 1.00 0.00 C ATOM 74 C THR A 5 -11.429 0.516 -3.309 1.00 0.00 C ATOM 75 O THR A 5 -10.603 -0.352 -3.033 1.00 0.00 O ATOM 76 CB THR A 5 -12.135 2.420 -1.848 1.00 0.00 C ATOM 77 OG1 THR A 5 -11.801 3.742 -1.410 1.00 0.00 O ATOM 78 CG2 THR A 5 -12.081 1.461 -0.668 1.00 0.00 C ATOM 0 H THR A 5 -12.007 3.487 -4.133 1.00 0.00 H new ATOM 0 HA THR A 5 -10.145 2.063 -2.562 1.00 0.00 H new ATOM 0 HB THR A 5 -13.146 2.418 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.829 3.820 -1.316 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.777 1.792 0.102 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.356 0.460 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.070 1.443 -0.260 1.00 0.00 H new ATOM 86 N SER A 6 -12.568 0.257 -3.950 1.00 0.00 N ATOM 87 CA SER A 6 -12.945 -1.103 -4.315 1.00 0.00 C ATOM 88 C SER A 6 -11.877 -1.713 -5.218 1.00 0.00 C ATOM 89 O SER A 6 -11.537 -2.892 -5.101 1.00 0.00 O ATOM 90 CB SER A 6 -14.305 -1.112 -5.007 1.00 0.00 C ATOM 91 OG SER A 6 -14.761 -2.434 -5.235 1.00 0.00 O ATOM 0 H SER A 6 -13.243 0.971 -4.226 1.00 0.00 H new ATOM 0 HA SER A 6 -13.022 -1.704 -3.409 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.030 -0.576 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.235 -0.581 -5.956 1.00 0.00 H new ATOM 0 HG SER A 6 -15.635 -2.407 -5.678 1.00 0.00 H new ATOM 97 N ARG A 7 -11.347 -0.877 -6.105 1.00 0.00 N ATOM 98 CA ARG A 7 -10.207 -1.227 -6.944 1.00 0.00 C ATOM 99 C ARG A 7 -9.015 -1.655 -6.091 1.00 0.00 C ATOM 100 O ARG A 7 -8.441 -2.728 -6.280 1.00 0.00 O ATOM 101 CB ARG A 7 -9.826 -0.005 -7.788 1.00 0.00 C ATOM 102 CG ARG A 7 -8.379 0.014 -8.260 1.00 0.00 C ATOM 103 CD ARG A 7 -7.850 1.438 -8.342 1.00 0.00 C ATOM 104 NE ARG A 7 -6.446 1.481 -8.741 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.734 2.602 -8.877 1.00 0.00 C ATOM 106 NH1 ARG A 7 -6.312 3.789 -8.733 1.00 0.00 N ATOM 107 NH2 ARG A 7 -4.446 2.535 -9.191 1.00 0.00 N ATOM 0 H ARG A 7 -11.698 0.067 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.480 -2.063 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.479 0.036 -8.660 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.016 0.896 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.762 -0.568 -7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.306 -0.462 -9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.447 2.005 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.966 1.924 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.978 0.595 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.307 3.849 -8.517 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.761 4.641 -8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.001 1.627 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.901 3.391 -9.295 1.00 0.00 H new ATOM 121 N CYS A 8 -8.673 -0.807 -5.137 1.00 0.00 N ATOM 122 CA CYS A 8 -7.470 -0.970 -4.344 1.00 0.00 C ATOM 123 C CYS A 8 -7.549 -2.199 -3.448 1.00 0.00 C ATOM 124 O CYS A 8 -6.526 -2.817 -3.167 1.00 0.00 O ATOM 125 CB CYS A 8 -7.249 0.275 -3.503 1.00 0.00 C ATOM 126 SG CYS A 8 -5.528 0.502 -2.952 1.00 0.00 S ATOM 0 H CYS A 8 -9.224 0.015 -4.891 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.630 -1.113 -5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.553 1.149 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.897 0.229 -2.628 1.00 0.00 H new ATOM 131 N VAL A 9 -8.761 -2.553 -3.020 1.00 0.00 N ATOM 132 CA VAL A 9 -8.975 -3.705 -2.137 1.00 0.00 C ATOM 133 C VAL A 9 -8.296 -4.962 -2.679 1.00 0.00 C ATOM 134 O VAL A 9 -7.707 -5.744 -1.926 1.00 0.00 O ATOM 135 CB VAL A 9 -10.481 -3.987 -1.936 1.00 0.00 C ATOM 136 CG1 VAL A 9 -10.704 -5.225 -1.078 1.00 0.00 C ATOM 137 CG2 VAL A 9 -11.165 -2.786 -1.315 1.00 0.00 C ATOM 0 H VAL A 9 -9.616 -2.056 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.528 -3.449 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.919 -4.175 -2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.774 -5.395 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.252 -6.090 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.246 -5.077 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.225 -3.001 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.712 -2.570 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.050 -1.923 -1.970 1.00 0.00 H new ATOM 147 N GLY A 10 -8.371 -5.146 -3.984 1.00 0.00 N ATOM 148 CA GLY A 10 -7.731 -6.290 -4.604 1.00 0.00 C ATOM 149 C GLY A 10 -6.258 -6.057 -4.890 1.00 0.00 C ATOM 150 O GLY A 10 -5.487 -7.005 -5.032 1.00 0.00 O ATOM 0 H GLY A 10 -8.862 -4.526 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.837 -7.157 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.244 -6.527 -5.536 1.00 0.00 H new ATOM 154 N TYR A 11 -5.864 -4.794 -4.977 1.00 0.00 N ATOM 155 CA TYR A 11 -4.501 -4.443 -5.347 1.00 0.00 C ATOM 156 C TYR A 11 -3.600 -4.265 -4.135 1.00 0.00 C ATOM 157 O TYR A 11 -2.668 -5.038 -3.918 1.00 0.00 O ATOM 158 CB TYR A 11 -4.484 -3.168 -6.174 1.00 0.00 C ATOM 159 CG TYR A 11 -4.922 -3.380 -7.599 1.00 0.00 C ATOM 160 CD1 TYR A 11 -6.041 -2.740 -8.105 1.00 0.00 C ATOM 161 CD2 TYR A 11 -4.218 -4.231 -8.435 1.00 0.00 C ATOM 162 CE1 TYR A 11 -6.449 -2.941 -9.406 1.00 0.00 C ATOM 163 CE2 TYR A 11 -4.615 -4.438 -9.737 1.00 0.00 C ATOM 164 CZ TYR A 11 -5.733 -3.792 -10.220 1.00 0.00 C ATOM 165 OH TYR A 11 -6.138 -3.996 -11.519 1.00 0.00 O ATOM 0 H TYR A 11 -6.471 -3.994 -4.796 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.114 -5.274 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -5.136 -2.430 -5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.476 -2.752 -6.168 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.603 -2.072 -7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.343 -4.741 -8.059 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.324 -2.435 -9.785 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -4.054 -5.103 -10.377 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.525 -4.622 -11.958 1.00 0.00 H new ATOM 175 N HIS A 12 -3.871 -3.225 -3.359 1.00 0.00 N ATOM 176 CA HIS A 12 -2.979 -2.829 -2.281 1.00 0.00 C ATOM 177 C HIS A 12 -3.713 -2.876 -0.948 1.00 0.00 C ATOM 178 O HIS A 12 -3.278 -2.269 0.028 1.00 0.00 O ATOM 179 CB HIS A 12 -2.413 -1.419 -2.516 1.00 0.00 C ATOM 180 CG HIS A 12 -2.173 -1.077 -3.955 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.869 -0.092 -4.613 1.00 0.00 N ATOM 182 CD2 HIS A 12 -1.316 -1.597 -4.863 1.00 0.00 C ATOM 183 CE1 HIS A 12 -2.455 -0.019 -5.861 1.00 0.00 C ATOM 184 NE2 HIS A 12 -1.506 -0.919 -6.044 1.00 0.00 N ATOM 0 H HIS A 12 -4.702 -2.641 -3.457 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.146 -3.532 -2.260 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.103 -0.689 -2.093 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.474 -1.323 -1.971 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -3.595 0.493 -4.199 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.612 -2.398 -4.692 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.829 0.663 -6.610 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.000 -1.083 -6.914 1.00 0.00 H new ATOM 193 N GLY A 13 -4.833 -3.591 -0.920 1.00 0.00 N ATOM 194 CA GLY A 13 -5.545 -3.813 0.325 1.00 0.00 C ATOM 195 C GLY A 13 -6.723 -2.884 0.511 1.00 0.00 C ATOM 196 O GLY A 13 -7.118 -2.176 -0.412 1.00 0.00 O ATOM 0 H GLY A 13 -5.261 -4.022 -1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.896 -4.845 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.855 -3.685 1.159 1.00 0.00 H new ATOM 200 N TYR A 14 -7.285 -2.880 1.713 1.00 0.00 N ATOM 201 CA TYR A 14 -8.447 -2.054 2.010 1.00 0.00 C ATOM 202 C TYR A 14 -8.012 -0.609 2.182 1.00 0.00 C ATOM 203 O TYR A 14 -6.835 -0.297 2.051 1.00 0.00 O ATOM 204 CB TYR A 14 -9.169 -2.563 3.263 1.00 0.00 C ATOM 205 CG TYR A 14 -8.303 -2.625 4.502 1.00 0.00 C ATOM 206 CD1 TYR A 14 -7.715 -3.817 4.903 1.00 0.00 C ATOM 207 CD2 TYR A 14 -8.082 -1.493 5.274 1.00 0.00 C ATOM 208 CE1 TYR A 14 -6.932 -3.876 6.038 1.00 0.00 C ATOM 209 CE2 TYR A 14 -7.298 -1.546 6.407 1.00 0.00 C ATOM 210 CZ TYR A 14 -6.727 -2.738 6.785 1.00 0.00 C ATOM 211 OH TYR A 14 -5.954 -2.791 7.917 1.00 0.00 O ATOM 0 H TYR A 14 -6.954 -3.440 2.498 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.149 -2.114 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.023 -1.916 3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.564 -3.559 3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.873 -4.711 4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.531 -0.555 4.983 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.482 -4.811 6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.133 -0.655 6.995 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.273 -3.488 7.816 1.00 0.00 H new ATOM 221 N CYS A 15 -8.937 0.277 2.478 1.00 0.00 N ATOM 222 CA CYS A 15 -8.587 1.679 2.558 1.00 0.00 C ATOM 223 C CYS A 15 -9.226 2.359 3.759 1.00 0.00 C ATOM 224 O CYS A 15 -10.433 2.615 3.789 1.00 0.00 O ATOM 225 CB CYS A 15 -8.987 2.379 1.270 1.00 0.00 C ATOM 226 SG CYS A 15 -8.242 4.024 1.066 1.00 0.00 S ATOM 0 H CYS A 15 -9.916 0.060 2.664 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.507 1.750 2.690 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.701 1.754 0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.072 2.476 1.242 1.00 0.00 H new ATOM 231 N ILE A 16 -8.402 2.619 4.759 1.00 0.00 N ATOM 232 CA ILE A 16 -8.830 3.314 5.962 1.00 0.00 C ATOM 233 C ILE A 16 -8.488 4.786 5.838 1.00 0.00 C ATOM 234 O ILE A 16 -7.975 5.205 4.811 1.00 0.00 O ATOM 235 CB ILE A 16 -8.207 2.724 7.247 1.00 0.00 C ATOM 236 CG1 ILE A 16 -6.677 2.764 7.187 1.00 0.00 C ATOM 237 CG2 ILE A 16 -8.711 1.308 7.465 1.00 0.00 C ATOM 238 CD1 ILE A 16 -6.001 2.067 8.352 1.00 0.00 C ATOM 0 H ILE A 16 -7.417 2.354 4.761 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.908 3.184 6.053 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.515 3.336 8.095 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.347 2.301 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.351 3.804 7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.267 0.899 8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.796 1.319 7.565 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.432 0.687 6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.919 2.137 8.240 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.301 2.544 9.285 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.297 1.018 8.370 1.00 0.00 H new ATOM 250 N ARG A 17 -8.735 5.561 6.870 1.00 0.00 N ATOM 251 CA ARG A 17 -8.461 6.989 6.807 1.00 0.00 C ATOM 252 C ARG A 17 -6.961 7.280 6.908 1.00 0.00 C ATOM 253 O ARG A 17 -6.411 8.041 6.110 1.00 0.00 O ATOM 254 CB ARG A 17 -9.205 7.717 7.925 1.00 0.00 C ATOM 255 CG ARG A 17 -8.912 9.208 7.987 1.00 0.00 C ATOM 256 CD ARG A 17 -9.607 9.856 9.170 1.00 0.00 C ATOM 257 NE ARG A 17 -11.060 9.744 9.075 1.00 0.00 N ATOM 258 CZ ARG A 17 -11.886 9.836 10.115 1.00 0.00 C ATOM 259 NH1 ARG A 17 -11.409 10.059 11.333 1.00 0.00 N ATOM 260 NH2 ARG A 17 -13.193 9.710 9.935 1.00 0.00 N ATOM 0 H ARG A 17 -9.121 5.236 7.757 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.811 7.351 5.840 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.277 7.572 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.940 7.264 8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.836 9.367 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.241 9.684 7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.266 9.387 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.327 10.908 9.224 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.468 9.585 8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.404 10.161 11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.047 10.128 12.126 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.565 9.543 9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.827 9.780 10.731 1.00 0.00 H new ATOM 274 N SER A 18 -6.294 6.657 7.866 1.00 0.00 N ATOM 275 CA SER A 18 -4.935 7.044 8.202 1.00 0.00 C ATOM 276 C SER A 18 -3.974 5.866 8.096 1.00 0.00 C ATOM 277 O SER A 18 -4.387 4.731 7.893 1.00 0.00 O ATOM 278 CB SER A 18 -4.924 7.629 9.613 1.00 0.00 C ATOM 279 OG SER A 18 -5.760 8.774 9.695 1.00 0.00 O ATOM 0 H SER A 18 -6.668 5.887 8.420 1.00 0.00 H new ATOM 0 HA SER A 18 -4.594 7.795 7.489 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.261 6.876 10.325 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.905 7.897 9.891 1.00 0.00 H new ATOM 0 HG SER A 18 -5.738 9.130 10.608 1.00 0.00 H new ATOM 285 N LYS A 19 -2.683 6.154 8.252 1.00 0.00 N ATOM 286 CA LYS A 19 -1.622 5.170 8.073 1.00 0.00 C ATOM 287 C LYS A 19 -1.474 4.303 9.308 1.00 0.00 C ATOM 288 O LYS A 19 -0.437 3.683 9.541 1.00 0.00 O ATOM 289 CB LYS A 19 -0.304 5.880 7.785 1.00 0.00 C ATOM 290 CG LYS A 19 -0.329 6.757 6.544 1.00 0.00 C ATOM 291 CD LYS A 19 -1.175 8.013 6.717 1.00 0.00 C ATOM 292 CE LYS A 19 -1.262 8.820 5.436 1.00 0.00 C ATOM 293 NZ LYS A 19 0.067 9.321 5.001 1.00 0.00 N ATOM 0 H LYS A 19 -2.344 7.082 8.507 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.886 4.530 7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.039 6.494 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.482 5.133 7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.691 7.045 6.289 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.716 6.178 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.178 7.733 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.749 8.631 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.692 8.203 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.936 9.663 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.053 9.977 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.526 9.818 5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.660 8.520 4.704 1.00 0.00 H new ATOM 307 N VAL A 20 -2.534 4.271 10.079 1.00 0.00 N ATOM 308 CA VAL A 20 -2.604 3.505 11.325 1.00 0.00 C ATOM 309 C VAL A 20 -2.832 2.016 11.039 1.00 0.00 C ATOM 310 O VAL A 20 -3.526 1.316 11.782 1.00 0.00 O ATOM 311 CB VAL A 20 -3.729 4.031 12.242 1.00 0.00 C ATOM 312 CG1 VAL A 20 -3.525 3.570 13.678 1.00 0.00 C ATOM 313 CG2 VAL A 20 -3.816 5.547 12.168 1.00 0.00 C ATOM 0 H VAL A 20 -3.392 4.780 9.865 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.649 3.629 11.836 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.673 3.617 11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.332 3.955 14.302 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.527 2.481 13.714 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.570 3.944 14.048 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.615 5.898 12.821 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.869 5.982 12.487 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.027 5.850 11.142 1.00 0.00 H new ATOM 323 N CYS A 21 -2.274 1.553 9.932 1.00 0.00 N ATOM 324 CA CYS A 21 -2.413 0.171 9.512 1.00 0.00 C ATOM 325 C CYS A 21 -1.877 -0.787 10.575 1.00 0.00 C ATOM 326 O CYS A 21 -0.807 -0.562 11.148 1.00 0.00 O ATOM 327 CB CYS A 21 -1.659 -0.027 8.201 1.00 0.00 C ATOM 328 SG CYS A 21 -2.135 1.154 6.900 1.00 0.00 S ATOM 0 H CYS A 21 -1.713 2.125 9.301 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.471 -0.049 9.371 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.589 0.065 8.389 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.833 -1.041 7.841 1.00 0.00 H new ATOM 333 N PRO A 22 -2.634 -1.858 10.861 1.00 0.00 N ATOM 334 CA PRO A 22 -2.211 -2.915 11.784 1.00 0.00 C ATOM 335 C PRO A 22 -1.107 -3.767 11.172 1.00 0.00 C ATOM 336 O PRO A 22 -0.600 -3.453 10.102 1.00 0.00 O ATOM 337 CB PRO A 22 -3.483 -3.738 11.991 1.00 0.00 C ATOM 338 CG PRO A 22 -4.277 -3.525 10.752 1.00 0.00 C ATOM 339 CD PRO A 22 -3.969 -2.125 10.295 1.00 0.00 C ATOM 0 HA PRO A 22 -1.800 -2.524 12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.252 -4.793 12.137 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.030 -3.406 12.874 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.008 -4.253 9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.343 -3.646 10.946 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.965 -2.051 9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.709 -1.413 10.661 1.00 0.00 H new ATOM 347 N LYS A 23 -0.711 -4.826 11.852 1.00 0.00 N ATOM 348 CA LYS A 23 0.341 -5.681 11.350 1.00 0.00 C ATOM 349 C LYS A 23 -0.177 -7.101 11.098 1.00 0.00 C ATOM 350 O LYS A 23 -1.020 -7.599 11.845 1.00 0.00 O ATOM 351 CB LYS A 23 1.523 -5.654 12.334 1.00 0.00 C ATOM 352 CG LYS A 23 2.303 -6.953 12.446 1.00 0.00 C ATOM 353 CD LYS A 23 1.687 -7.872 13.486 1.00 0.00 C ATOM 354 CE LYS A 23 2.403 -9.212 13.541 1.00 0.00 C ATOM 355 NZ LYS A 23 3.835 -9.058 13.904 1.00 0.00 N ATOM 0 H LYS A 23 -1.102 -5.112 12.750 1.00 0.00 H new ATOM 0 HA LYS A 23 0.689 -5.309 10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.209 -4.862 12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.146 -5.389 13.322 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.321 -7.454 11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.338 -6.738 12.713 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.730 -7.395 14.465 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.634 -8.031 13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.911 -9.857 14.269 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.325 -9.706 12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.242 -9.992 14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.350 -8.626 13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.917 -8.449 14.743 1.00 0.00 H new ATOM 369 N PRO A 24 0.309 -7.762 10.029 1.00 0.00 N ATOM 370 CA PRO A 24 1.183 -7.140 9.038 1.00 0.00 C ATOM 371 C PRO A 24 0.394 -6.413 7.950 1.00 0.00 C ATOM 372 O PRO A 24 -0.129 -7.037 7.028 1.00 0.00 O ATOM 373 CB PRO A 24 1.919 -8.343 8.456 1.00 0.00 C ATOM 374 CG PRO A 24 0.919 -9.451 8.511 1.00 0.00 C ATOM 375 CD PRO A 24 0.023 -9.167 9.694 1.00 0.00 C ATOM 0 HA PRO A 24 1.835 -6.378 9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.246 -8.153 7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.810 -8.583 9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.340 -9.496 7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.415 -10.415 8.623 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.028 -9.311 9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.244 -9.830 10.531 1.00 0.00 H new ATOM 383 N PHE A 25 0.347 -5.100 8.025 1.00 0.00 N ATOM 384 CA PHE A 25 -0.333 -4.299 7.024 1.00 0.00 C ATOM 385 C PHE A 25 0.448 -3.031 6.774 1.00 0.00 C ATOM 386 O PHE A 25 0.876 -2.357 7.711 1.00 0.00 O ATOM 387 CB PHE A 25 -1.768 -3.958 7.451 1.00 0.00 C ATOM 388 CG PHE A 25 -2.710 -5.120 7.390 1.00 0.00 C ATOM 389 CD1 PHE A 25 -3.584 -5.254 6.331 1.00 0.00 C ATOM 390 CD2 PHE A 25 -2.709 -6.083 8.384 1.00 0.00 C ATOM 391 CE1 PHE A 25 -4.446 -6.328 6.260 1.00 0.00 C ATOM 392 CE2 PHE A 25 -3.568 -7.159 8.321 1.00 0.00 C ATOM 393 CZ PHE A 25 -4.437 -7.280 7.256 1.00 0.00 C ATOM 0 H PHE A 25 0.775 -4.558 8.776 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.392 -4.883 6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.751 -3.569 8.469 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.147 -3.161 6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.593 -4.509 5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.028 -5.990 9.217 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.126 -6.423 5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.561 -7.905 9.102 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.111 -8.122 7.203 1.00 0.00 H new ATOM 403 N ALA A 26 0.641 -2.712 5.517 1.00 0.00 N ATOM 404 CA ALA A 26 1.442 -1.562 5.158 1.00 0.00 C ATOM 405 C ALA A 26 0.565 -0.444 4.635 1.00 0.00 C ATOM 406 O ALA A 26 -0.350 -0.693 3.843 1.00 0.00 O ATOM 407 CB ALA A 26 2.483 -1.946 4.119 1.00 0.00 C ATOM 0 H ALA A 26 0.257 -3.229 4.726 1.00 0.00 H new ATOM 0 HA ALA A 26 1.955 -1.208 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.078 -1.070 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.135 -2.720 4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.984 -2.324 3.227 1.00 0.00 H new ATOM 413 N ALA A 27 0.816 0.770 5.128 1.00 0.00 N ATOM 414 CA ALA A 27 0.229 1.964 4.563 1.00 0.00 C ATOM 415 C ALA A 27 0.688 2.121 3.125 1.00 0.00 C ATOM 416 O ALA A 27 1.696 2.765 2.836 1.00 0.00 O ATOM 417 CB ALA A 27 0.628 3.178 5.388 1.00 0.00 C ATOM 0 H ALA A 27 1.429 0.942 5.925 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.858 1.879 4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.182 4.074 4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.275 3.054 6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.713 3.277 5.388 1.00 0.00 H new ATOM 423 N PHE A 28 -0.065 1.526 2.228 1.00 0.00 N ATOM 424 CA PHE A 28 0.280 1.497 0.834 1.00 0.00 C ATOM 425 C PHE A 28 -0.288 2.730 0.156 1.00 0.00 C ATOM 426 O PHE A 28 -1.411 2.714 -0.357 1.00 0.00 O ATOM 427 CB PHE A 28 -0.258 0.213 0.195 1.00 0.00 C ATOM 428 CG PHE A 28 0.806 -0.644 -0.415 1.00 0.00 C ATOM 429 CD1 PHE A 28 1.539 -0.194 -1.497 1.00 0.00 C ATOM 430 CD2 PHE A 28 1.067 -1.904 0.091 1.00 0.00 C ATOM 431 CE1 PHE A 28 2.518 -0.985 -2.064 1.00 0.00 C ATOM 432 CE2 PHE A 28 2.042 -2.700 -0.470 1.00 0.00 C ATOM 433 CZ PHE A 28 2.770 -2.240 -1.548 1.00 0.00 C ATOM 0 H PHE A 28 -0.938 1.047 2.451 1.00 0.00 H new ATOM 0 HA PHE A 28 1.363 1.503 0.714 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.789 -0.365 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.985 0.476 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.344 0.787 -1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.500 -2.268 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.085 -0.623 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.236 -3.683 -0.066 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.536 -2.861 -1.988 1.00 0.00 H new ATOM 443 N GLY A 29 0.502 3.798 0.192 1.00 0.00 N ATOM 444 CA GLY A 29 0.119 5.057 -0.412 1.00 0.00 C ATOM 445 C GLY A 29 -1.301 5.453 -0.096 1.00 0.00 C ATOM 446 O GLY A 29 -1.724 5.443 1.061 1.00 0.00 O ATOM 0 H GLY A 29 1.419 3.810 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.794 5.840 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.239 4.987 -1.493 1.00 0.00 H new ATOM 450 N THR A 30 -2.032 5.789 -1.134 1.00 0.00 N ATOM 451 CA THR A 30 -3.425 6.156 -1.009 1.00 0.00 C ATOM 452 C THR A 30 -4.224 5.444 -2.094 1.00 0.00 C ATOM 453 O THR A 30 -3.713 5.219 -3.190 1.00 0.00 O ATOM 454 CB THR A 30 -3.593 7.683 -1.146 1.00 0.00 C ATOM 455 OG1 THR A 30 -3.063 8.119 -2.407 1.00 0.00 O ATOM 456 CG2 THR A 30 -2.871 8.412 -0.020 1.00 0.00 C ATOM 0 H THR A 30 -1.678 5.816 -2.090 1.00 0.00 H new ATOM 0 HA THR A 30 -3.791 5.858 -0.026 1.00 0.00 H new ATOM 0 HB THR A 30 -4.657 7.915 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.173 9.089 -2.490 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.004 9.487 -0.139 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.283 8.099 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.808 8.172 -0.054 1.00 0.00 H new ATOM 464 N CYS A 31 -5.457 5.067 -1.801 1.00 0.00 N ATOM 465 CA CYS A 31 -6.258 4.343 -2.780 1.00 0.00 C ATOM 466 C CYS A 31 -6.904 5.304 -3.776 1.00 0.00 C ATOM 467 O CYS A 31 -6.504 5.367 -4.936 1.00 0.00 O ATOM 468 CB CYS A 31 -7.327 3.500 -2.083 1.00 0.00 C ATOM 469 SG CYS A 31 -8.442 4.458 -1.007 1.00 0.00 S ATOM 0 H CYS A 31 -5.921 5.245 -0.910 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.594 3.677 -3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.921 2.987 -2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.837 2.730 -1.487 1.00 0.00 H new ATOM 474 N SER A 32 -7.887 6.058 -3.313 1.00 0.00 N ATOM 475 CA SER A 32 -8.587 7.000 -4.160 1.00 0.00 C ATOM 476 C SER A 32 -8.248 8.416 -3.735 1.00 0.00 C ATOM 477 O SER A 32 -7.573 9.146 -4.454 1.00 0.00 O ATOM 478 CB SER A 32 -10.097 6.764 -4.078 1.00 0.00 C ATOM 479 OG SER A 32 -10.769 7.335 -5.186 1.00 0.00 O ATOM 0 H SER A 32 -8.217 6.033 -2.348 1.00 0.00 H new ATOM 0 HA SER A 32 -8.273 6.855 -5.194 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.298 5.693 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.485 7.194 -3.154 1.00 0.00 H new ATOM 0 HG SER A 32 -10.286 7.115 -6.010 1.00 0.00 H new ATOM 485 N TRP A 33 -8.718 8.797 -2.556 1.00 0.00 N ATOM 486 CA TRP A 33 -8.403 10.099 -2.005 1.00 0.00 C ATOM 487 C TRP A 33 -7.141 9.979 -1.169 1.00 0.00 C ATOM 488 O TRP A 33 -6.885 8.932 -0.577 1.00 0.00 O ATOM 489 CB TRP A 33 -9.546 10.622 -1.122 1.00 0.00 C ATOM 490 CG TRP A 33 -10.931 10.325 -1.631 1.00 0.00 C ATOM 491 CD1 TRP A 33 -12.006 9.956 -0.874 1.00 0.00 C ATOM 492 CD2 TRP A 33 -11.396 10.365 -2.989 1.00 0.00 C ATOM 493 NE1 TRP A 33 -13.103 9.760 -1.672 1.00 0.00 N ATOM 494 CE2 TRP A 33 -12.756 10.005 -2.972 1.00 0.00 C ATOM 495 CE3 TRP A 33 -10.800 10.667 -4.213 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -13.524 9.939 -4.129 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -11.564 10.602 -5.362 1.00 0.00 C ATOM 498 CH2 TRP A 33 -12.912 10.241 -5.313 1.00 0.00 C ATOM 0 H TRP A 33 -9.318 8.221 -1.966 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.259 10.801 -2.826 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -9.441 10.192 -0.126 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.438 11.701 -1.016 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -11.994 9.836 0.199 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -14.028 9.477 -1.349 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -9.758 10.947 -4.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -14.567 9.659 -4.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -11.111 10.834 -6.314 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -13.482 10.200 -6.229 1.00 0.00 H new ATOM 509 N ARG A 34 -6.357 11.043 -1.125 1.00 0.00 N ATOM 510 CA ARG A 34 -5.161 11.074 -0.293 1.00 0.00 C ATOM 511 C ARG A 34 -5.568 11.057 1.174 1.00 0.00 C ATOM 512 O ARG A 34 -4.823 10.624 2.053 1.00 0.00 O ATOM 513 CB ARG A 34 -4.341 12.324 -0.611 1.00 0.00 C ATOM 514 CG ARG A 34 -2.983 12.355 0.061 1.00 0.00 C ATOM 515 CD ARG A 34 -3.029 12.951 1.461 1.00 0.00 C ATOM 516 NE ARG A 34 -1.718 12.899 2.105 1.00 0.00 N ATOM 517 CZ ARG A 34 -1.530 12.791 3.417 1.00 0.00 C ATOM 518 NH1 ARG A 34 -2.567 12.758 4.246 1.00 0.00 N ATOM 519 NH2 ARG A 34 -0.297 12.719 3.901 1.00 0.00 N ATOM 0 H ARG A 34 -6.525 11.898 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.546 10.198 -0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.203 12.391 -1.690 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.906 13.205 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.587 11.341 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.293 12.934 -0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.369 13.985 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.755 12.408 2.066 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.892 12.949 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.516 12.816 3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.414 12.675 5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.502 12.747 3.268 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.148 12.636 4.907 1.00 0.00 H new ATOM 533 N GLN A 35 -6.766 11.557 1.400 1.00 0.00 N ATOM 534 CA GLN A 35 -7.396 11.581 2.717 1.00 0.00 C ATOM 535 C GLN A 35 -7.397 10.209 3.388 1.00 0.00 C ATOM 536 O GLN A 35 -7.446 10.116 4.614 1.00 0.00 O ATOM 537 CB GLN A 35 -8.837 12.076 2.592 1.00 0.00 C ATOM 538 CG GLN A 35 -8.955 13.386 1.842 1.00 0.00 C ATOM 539 CD GLN A 35 -10.355 13.967 1.884 1.00 0.00 C ATOM 540 OE1 GLN A 35 -10.700 14.719 2.796 1.00 0.00 O ATOM 541 NE2 GLN A 35 -11.164 13.644 0.888 1.00 0.00 N ATOM 0 H GLN A 35 -7.344 11.966 0.666 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.810 12.257 3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.432 11.318 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.261 12.196 3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.256 14.106 2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.662 13.232 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.841 13.018 0.151 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.111 14.022 0.857 1.00 0.00 H new ATOM 550 N LYS A 36 -7.373 9.153 2.590 1.00 0.00 N ATOM 551 CA LYS A 36 -7.345 7.794 3.119 1.00 0.00 C ATOM 552 C LYS A 36 -6.070 7.060 2.709 1.00 0.00 C ATOM 553 O LYS A 36 -5.352 7.492 1.809 1.00 0.00 O ATOM 554 CB LYS A 36 -8.572 7.031 2.636 1.00 0.00 C ATOM 555 CG LYS A 36 -8.855 7.251 1.168 1.00 0.00 C ATOM 556 CD LYS A 36 -10.244 6.798 0.756 1.00 0.00 C ATOM 557 CE LYS A 36 -11.361 7.581 1.437 1.00 0.00 C ATOM 558 NZ LYS A 36 -11.729 7.023 2.765 1.00 0.00 N ATOM 0 H LYS A 36 -7.372 9.209 1.572 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.357 7.851 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.428 5.966 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.440 7.340 3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.741 8.310 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.114 6.714 0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.346 6.899 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.357 5.739 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.050 8.619 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.241 7.585 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.746 6.805 2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.186 6.153 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.513 7.720 3.506 1.00 0.00 H new ATOM 572 N THR A 37 -5.809 5.945 3.376 1.00 0.00 N ATOM 573 CA THR A 37 -4.611 5.150 3.146 1.00 0.00 C ATOM 574 C THR A 37 -4.995 3.727 2.755 1.00 0.00 C ATOM 575 O THR A 37 -5.936 3.160 3.316 1.00 0.00 O ATOM 576 CB THR A 37 -3.743 5.106 4.420 1.00 0.00 C ATOM 577 OG1 THR A 37 -3.475 6.443 4.864 1.00 0.00 O ATOM 578 CG2 THR A 37 -2.429 4.371 4.177 1.00 0.00 C ATOM 0 H THR A 37 -6.425 5.565 4.095 1.00 0.00 H new ATOM 0 HA THR A 37 -4.043 5.611 2.338 1.00 0.00 H new ATOM 0 HB THR A 37 -4.294 4.562 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.178 6.729 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.843 4.360 5.096 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.637 3.347 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.866 4.880 3.395 1.00 0.00 H new ATOM 586 N CYS A 38 -4.280 3.151 1.797 1.00 0.00 N ATOM 587 CA CYS A 38 -4.547 1.787 1.388 1.00 0.00 C ATOM 588 C CYS A 38 -3.716 0.853 2.262 1.00 0.00 C ATOM 589 O CYS A 38 -2.580 1.166 2.581 1.00 0.00 O ATOM 590 CB CYS A 38 -4.202 1.616 -0.093 1.00 0.00 C ATOM 591 SG CYS A 38 -4.984 0.184 -0.895 1.00 0.00 S ATOM 0 H CYS A 38 -3.518 3.606 1.295 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.603 1.547 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.496 2.520 -0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.120 1.525 -0.192 1.00 0.00 H new ATOM 596 N CYS A 39 -4.283 -0.261 2.683 1.00 0.00 N ATOM 597 CA CYS A 39 -3.601 -1.150 3.610 1.00 0.00 C ATOM 598 C CYS A 39 -3.826 -2.606 3.244 1.00 0.00 C ATOM 599 O CYS A 39 -4.950 -3.105 3.307 1.00 0.00 O ATOM 600 CB CYS A 39 -4.094 -0.907 5.033 1.00 0.00 C ATOM 601 SG CYS A 39 -3.836 0.789 5.646 1.00 0.00 S ATOM 0 H CYS A 39 -5.212 -0.574 2.400 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.534 -0.936 3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.158 -1.138 5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.588 -1.602 5.703 1.00 0.00 H new ATOM 606 N VAL A 40 -2.756 -3.291 2.876 1.00 0.00 N ATOM 607 CA VAL A 40 -2.856 -4.693 2.501 1.00 0.00 C ATOM 608 C VAL A 40 -2.033 -5.551 3.453 1.00 0.00 C ATOM 609 O VAL A 40 -1.051 -5.075 4.030 1.00 0.00 O ATOM 610 CB VAL A 40 -2.414 -4.914 1.032 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.909 -4.838 0.864 1.00 0.00 C ATOM 612 CG2 VAL A 40 -2.970 -6.217 0.479 1.00 0.00 C ATOM 0 H VAL A 40 -1.814 -2.903 2.829 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.901 -4.994 2.577 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.835 -4.095 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.651 -4.999 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.557 -3.855 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.435 -5.605 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.642 -6.343 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.607 -7.051 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.059 -6.192 0.513 1.00 0.00 H new ATOM 622 N ASP A 41 -2.477 -6.791 3.656 1.00 0.00 N ATOM 623 CA ASP A 41 -1.778 -7.744 4.515 1.00 0.00 C ATOM 624 C ASP A 41 -0.435 -8.083 3.906 1.00 0.00 C ATOM 625 O ASP A 41 -0.306 -9.020 3.125 1.00 0.00 O ATOM 626 CB ASP A 41 -2.616 -9.011 4.690 1.00 0.00 C ATOM 627 CG ASP A 41 -1.932 -10.089 5.520 1.00 0.00 C ATOM 628 OD1 ASP A 41 -1.168 -10.901 4.951 1.00 0.00 O ATOM 629 OD2 ASP A 41 -2.190 -10.162 6.739 1.00 0.00 O ATOM 0 H ASP A 41 -3.327 -7.161 3.231 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.622 -7.296 5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.562 -8.747 5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.853 -9.418 3.707 1.00 0.00 H new ATOM 634 N THR A 42 0.558 -7.308 4.266 1.00 0.00 N ATOM 635 CA THR A 42 1.850 -7.384 3.630 1.00 0.00 C ATOM 636 C THR A 42 2.712 -8.479 4.250 1.00 0.00 C ATOM 637 O THR A 42 3.495 -8.231 5.171 1.00 0.00 O ATOM 638 CB THR A 42 2.547 -6.015 3.718 1.00 0.00 C ATOM 639 OG1 THR A 42 2.511 -5.541 5.073 1.00 0.00 O ATOM 640 CG2 THR A 42 1.853 -5.009 2.808 1.00 0.00 C ATOM 0 H THR A 42 0.494 -6.609 5.006 1.00 0.00 H new ATOM 0 HA THR A 42 1.708 -7.644 2.581 1.00 0.00 H new ATOM 0 HB THR A 42 3.583 -6.127 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.749 -6.271 5.682 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.357 -4.045 2.880 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.893 -5.363 1.778 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.813 -4.899 3.114 1.00 0.00 H new ATOM 648 N THR A 43 2.548 -9.697 3.742 1.00 0.00 N ATOM 649 CA THR A 43 3.303 -10.838 4.227 1.00 0.00 C ATOM 650 C THR A 43 4.290 -11.392 3.198 1.00 0.00 C ATOM 651 O THR A 43 5.499 -11.190 3.311 1.00 0.00 O ATOM 652 CB THR A 43 2.341 -11.960 4.650 1.00 0.00 C ATOM 653 OG1 THR A 43 1.203 -11.984 3.772 1.00 0.00 O ATOM 654 CG2 THR A 43 1.879 -11.760 6.074 1.00 0.00 C ATOM 0 H THR A 43 1.894 -9.915 2.990 1.00 0.00 H new ATOM 0 HA THR A 43 3.885 -10.482 5.077 1.00 0.00 H new ATOM 0 HB THR A 43 2.871 -12.910 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.430 -11.588 4.227 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.199 -12.565 6.352 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.741 -11.766 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.363 -10.804 6.158 1.00 0.00 H new ATOM 685 N PHE A 46 3.549 -9.332 -1.035 1.00 0.00 N ATOM 686 CA PHE A 46 3.076 -7.971 -0.817 1.00 0.00 C ATOM 687 C PHE A 46 4.200 -6.929 -0.812 1.00 0.00 C ATOM 688 O PHE A 46 3.952 -5.751 -0.568 1.00 0.00 O ATOM 689 CB PHE A 46 2.274 -7.929 0.468 1.00 0.00 C ATOM 690 CG PHE A 46 1.082 -8.835 0.423 1.00 0.00 C ATOM 691 CD1 PHE A 46 1.196 -10.167 0.792 1.00 0.00 C ATOM 692 CD2 PHE A 46 -0.147 -8.364 0.001 1.00 0.00 C ATOM 693 CE1 PHE A 46 0.105 -11.008 0.742 1.00 0.00 C ATOM 694 CE2 PHE A 46 -1.245 -9.202 -0.049 1.00 0.00 C ATOM 695 CZ PHE A 46 -1.118 -10.526 0.320 1.00 0.00 C ATOM 0 HA PHE A 46 2.441 -7.699 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.914 -8.215 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.944 -6.907 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.150 -10.550 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.250 -7.330 -0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.207 -12.043 1.033 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.201 -8.821 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.974 -11.184 0.279 1.00 0.00 H new ATOM 705 N HIS A 47 5.435 -7.380 -1.041 1.00 0.00 N ATOM 706 CA HIS A 47 6.605 -6.506 -1.293 1.00 0.00 C ATOM 707 C HIS A 47 6.344 -5.478 -2.422 1.00 0.00 C ATOM 708 O HIS A 47 7.260 -4.773 -2.838 1.00 0.00 O ATOM 709 CB HIS A 47 7.849 -7.329 -1.656 1.00 0.00 C ATOM 710 CG HIS A 47 8.298 -8.307 -0.610 1.00 0.00 C ATOM 711 ND1 HIS A 47 8.694 -7.945 0.662 1.00 0.00 N ATOM 712 CD2 HIS A 47 8.433 -9.652 -0.670 1.00 0.00 C ATOM 713 CE1 HIS A 47 9.053 -9.024 1.331 1.00 0.00 C ATOM 714 NE2 HIS A 47 8.904 -10.072 0.549 1.00 0.00 N ATOM 0 H HIS A 47 5.664 -8.374 -1.059 1.00 0.00 H new ATOM 0 HA HIS A 47 6.778 -5.965 -0.363 1.00 0.00 H new ATOM 0 HB2 HIS A 47 7.647 -7.875 -2.578 1.00 0.00 H new ATOM 0 HB3 HIS A 47 8.670 -6.643 -1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.211 -10.280 -1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.410 -9.044 2.350 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.106 -11.038 0.807 1.00 0.00 H new ATOM 723 N THR A 48 5.110 -5.478 -2.929 1.00 0.00 N ATOM 724 CA THR A 48 4.600 -4.696 -4.069 1.00 0.00 C ATOM 725 C THR A 48 4.989 -3.193 -4.103 1.00 0.00 C ATOM 726 O THR A 48 4.544 -2.459 -4.980 1.00 0.00 O ATOM 727 CB THR A 48 3.071 -4.792 -4.008 1.00 0.00 C ATOM 728 OG1 THR A 48 2.685 -6.156 -3.783 1.00 0.00 O ATOM 729 CG2 THR A 48 2.402 -4.273 -5.270 1.00 0.00 C ATOM 0 H THR A 48 4.382 -6.068 -2.526 1.00 0.00 H new ATOM 0 HA THR A 48 5.053 -5.120 -4.965 1.00 0.00 H new ATOM 0 HB THR A 48 2.738 -4.161 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.708 -6.217 -3.742 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.320 -4.365 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.666 -3.226 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.740 -4.856 -6.127 1.00 0.00 H new ATOM 737 N CYS A 49 5.795 -2.746 -3.159 1.00 0.00 N ATOM 738 CA CYS A 49 6.254 -1.352 -3.070 1.00 0.00 C ATOM 739 C CYS A 49 6.556 -0.711 -4.435 1.00 0.00 C ATOM 740 O CYS A 49 6.229 0.457 -4.654 1.00 0.00 O ATOM 741 CB CYS A 49 7.500 -1.280 -2.181 1.00 0.00 C ATOM 742 SG CYS A 49 9.080 -1.028 -3.060 1.00 0.00 S ATOM 0 H CYS A 49 6.161 -3.341 -2.416 1.00 0.00 H new ATOM 0 HA CYS A 49 5.433 -0.781 -2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.368 -0.468 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.568 -2.203 -1.605 1.00 0.00 H new ATOM 747 N GLN A 50 7.161 -1.469 -5.351 1.00 0.00 N ATOM 748 CA GLN A 50 7.535 -0.942 -6.659 1.00 0.00 C ATOM 749 C GLN A 50 6.320 -0.494 -7.477 1.00 0.00 C ATOM 750 O GLN A 50 6.451 0.326 -8.382 1.00 0.00 O ATOM 751 CB GLN A 50 8.362 -1.967 -7.448 1.00 0.00 C ATOM 752 CG GLN A 50 7.700 -3.328 -7.634 1.00 0.00 C ATOM 753 CD GLN A 50 7.786 -4.201 -6.398 1.00 0.00 C ATOM 754 OE1 GLN A 50 8.715 -4.077 -5.601 1.00 0.00 O ATOM 755 NE2 GLN A 50 6.833 -5.098 -6.236 1.00 0.00 N ATOM 0 H GLN A 50 7.401 -2.450 -5.209 1.00 0.00 H new ATOM 0 HA GLN A 50 8.148 -0.059 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.585 -1.552 -8.431 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.315 -2.111 -6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.652 -3.183 -7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.171 -3.844 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.079 -5.170 -6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.850 -5.720 -5.428 1.00 0.00 H new ATOM 764 N ASP A 51 5.139 -1.009 -7.142 1.00 0.00 N ATOM 765 CA ASP A 51 3.902 -0.612 -7.823 1.00 0.00 C ATOM 766 C ASP A 51 3.601 0.854 -7.551 1.00 0.00 C ATOM 767 O ASP A 51 3.081 1.571 -8.402 1.00 0.00 O ATOM 768 CB ASP A 51 2.727 -1.467 -7.346 1.00 0.00 C ATOM 769 CG ASP A 51 1.428 -1.120 -8.045 1.00 0.00 C ATOM 770 OD1 ASP A 51 1.202 -1.606 -9.173 1.00 0.00 O ATOM 771 OD2 ASP A 51 0.612 -0.380 -7.462 1.00 0.00 O ATOM 0 H ASP A 51 5.009 -1.702 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 51 4.040 -0.762 -8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.956 -2.519 -7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.602 -1.338 -6.271 1.00 0.00 H new ATOM 776 N LYS A 52 3.951 1.290 -6.352 1.00 0.00 N ATOM 777 CA LYS A 52 3.753 2.672 -5.942 1.00 0.00 C ATOM 778 C LYS A 52 4.941 3.521 -6.356 1.00 0.00 C ATOM 779 O LYS A 52 4.999 4.717 -6.069 1.00 0.00 O ATOM 780 CB LYS A 52 3.584 2.756 -4.426 1.00 0.00 C ATOM 781 CG LYS A 52 2.390 1.987 -3.897 1.00 0.00 C ATOM 782 CD LYS A 52 1.064 2.551 -4.390 1.00 0.00 C ATOM 783 CE LYS A 52 0.656 3.812 -3.637 1.00 0.00 C ATOM 784 NZ LYS A 52 1.381 5.032 -4.096 1.00 0.00 N ATOM 0 H LYS A 52 4.378 0.700 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 52 2.853 3.046 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.488 2.378 -3.948 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.486 3.803 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.472 0.943 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.405 2.005 -2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.140 2.774 -5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.286 1.796 -4.278 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.416 3.968 -3.757 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.840 3.667 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.731 5.844 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.177 5.224 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.741 4.880 -5.060 1.00 0.00 H new ATOM 798 N GLY A 53 5.887 2.891 -7.036 1.00 0.00 N ATOM 799 CA GLY A 53 7.130 3.549 -7.350 1.00 0.00 C ATOM 800 C GLY A 53 8.021 3.622 -6.133 1.00 0.00 C ATOM 801 O GLY A 53 8.562 4.680 -5.817 1.00 0.00 O ATOM 0 H GLY A 53 5.812 1.932 -7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.640 3.010 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.931 4.554 -7.721 1.00 0.00 H new ATOM 805 N GLY A 54 8.133 2.503 -5.423 1.00 0.00 N ATOM 806 CA GLY A 54 8.995 2.439 -4.261 1.00 0.00 C ATOM 807 C GLY A 54 10.424 2.784 -4.608 1.00 0.00 C ATOM 808 O GLY A 54 11.040 2.143 -5.459 1.00 0.00 O ATOM 0 H GLY A 54 7.638 1.636 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.629 3.126 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.956 1.437 -3.833 1.00 0.00 H new ATOM 812 N HIS A 55 10.948 3.805 -3.953 1.00 0.00 N ATOM 813 CA HIS A 55 12.272 4.316 -4.268 1.00 0.00 C ATOM 814 C HIS A 55 13.336 3.545 -3.510 1.00 0.00 C ATOM 815 O HIS A 55 13.030 2.777 -2.600 1.00 0.00 O ATOM 816 CB HIS A 55 12.376 5.805 -3.929 1.00 0.00 C ATOM 817 CG HIS A 55 11.609 6.701 -4.855 1.00 0.00 C ATOM 818 ND1 HIS A 55 10.277 6.890 -5.005 1.00 0.00 N flip ATOM 819 CD2 HIS A 55 12.218 7.562 -5.741 1.00 0.00 C flip ATOM 820 CE1 HIS A 55 10.107 7.856 -5.967 1.00 0.00 C flip ATOM 821 NE2 HIS A 55 11.295 8.244 -6.392 1.00 0.00 N flip ATOM 0 H HIS A 55 10.475 4.299 -3.196 1.00 0.00 H new ATOM 0 HA HIS A 55 12.433 4.187 -5.338 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.018 5.960 -2.911 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.426 6.097 -3.945 1.00 0.00 H new ATOM 0 HD1 HIS A 55 9.537 6.405 -4.498 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.284 7.663 -5.881 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.158 8.235 -6.317 1.00 0.00 H new ATOM 830 N CYS A 56 14.579 3.775 -3.874 1.00 0.00 N ATOM 831 CA CYS A 56 15.695 3.107 -3.240 1.00 0.00 C ATOM 832 C CYS A 56 16.677 4.136 -2.733 1.00 0.00 C ATOM 833 O CYS A 56 17.223 4.920 -3.509 1.00 0.00 O ATOM 834 CB CYS A 56 16.369 2.151 -4.221 1.00 0.00 C ATOM 835 SG CYS A 56 15.344 0.698 -4.629 1.00 0.00 S ATOM 0 H CYS A 56 14.844 4.426 -4.613 1.00 0.00 H new ATOM 0 HA CYS A 56 15.332 2.521 -2.396 1.00 0.00 H new ATOM 0 HB2 CYS A 56 16.606 2.690 -5.139 1.00 0.00 H new ATOM 0 HB3 CYS A 56 17.315 1.813 -3.797 1.00 0.00 H new ATOM 840 N VAL A 57 16.876 4.159 -1.428 1.00 0.00 N ATOM 841 CA VAL A 57 17.744 5.149 -0.830 1.00 0.00 C ATOM 842 C VAL A 57 18.882 4.487 -0.073 1.00 0.00 C ATOM 843 O VAL A 57 18.694 3.495 0.638 1.00 0.00 O ATOM 844 CB VAL A 57 16.964 6.101 0.101 1.00 0.00 C ATOM 845 CG1 VAL A 57 15.831 6.766 -0.657 1.00 0.00 C ATOM 846 CG2 VAL A 57 16.435 5.379 1.331 1.00 0.00 C ATOM 0 H VAL A 57 16.451 3.508 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 57 18.164 5.743 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 57 17.656 6.868 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.289 7.435 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.238 7.338 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.151 6.004 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 57 15.892 6.084 1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.765 4.577 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 57 17.269 4.958 1.893 1.00 0.00 H new ATOM 856 N SER A 58 20.068 5.022 -0.282 1.00 0.00 N ATOM 857 CA SER A 58 21.262 4.546 0.361 1.00 0.00 C ATOM 858 C SER A 58 21.277 4.989 1.817 1.00 0.00 C ATOM 859 O SER A 58 20.630 5.970 2.174 1.00 0.00 O ATOM 860 CB SER A 58 22.455 5.092 -0.421 1.00 0.00 C ATOM 861 OG SER A 58 22.119 6.304 -1.073 1.00 0.00 O ATOM 0 H SER A 58 20.225 5.809 -0.912 1.00 0.00 H new ATOM 0 HA SER A 58 21.306 3.457 0.364 1.00 0.00 H new ATOM 0 HB2 SER A 58 23.293 5.258 0.256 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.780 4.356 -1.157 1.00 0.00 H new ATOM 0 HG SER A 58 21.890 6.120 -2.008 1.00 0.00 H new ATOM 867 N PRO A 59 21.988 4.244 2.682 1.00 0.00 N ATOM 868 CA PRO A 59 22.023 4.502 4.132 1.00 0.00 C ATOM 869 C PRO A 59 22.479 5.918 4.519 1.00 0.00 C ATOM 870 O PRO A 59 22.485 6.263 5.702 1.00 0.00 O ATOM 871 CB PRO A 59 23.010 3.457 4.672 1.00 0.00 C ATOM 872 CG PRO A 59 23.724 2.912 3.479 1.00 0.00 C ATOM 873 CD PRO A 59 22.781 3.056 2.321 1.00 0.00 C ATOM 0 HA PRO A 59 21.019 4.430 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.711 3.908 5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.486 2.666 5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 59 24.650 3.458 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 59 23.995 1.867 3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 59 23.315 3.198 1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 59 22.153 2.173 2.200 1.00 0.00 H new ATOM 881 N LYS A 60 22.865 6.731 3.536 1.00 0.00 N ATOM 882 CA LYS A 60 23.235 8.120 3.796 1.00 0.00 C ATOM 883 C LYS A 60 22.080 9.069 3.466 1.00 0.00 C ATOM 884 O LYS A 60 22.136 10.256 3.786 1.00 0.00 O ATOM 885 CB LYS A 60 24.471 8.527 2.985 1.00 0.00 C ATOM 886 CG LYS A 60 24.248 8.538 1.477 1.00 0.00 C ATOM 887 CD LYS A 60 25.360 9.285 0.748 1.00 0.00 C ATOM 888 CE LYS A 60 26.720 8.630 0.939 1.00 0.00 C ATOM 889 NZ LYS A 60 26.791 7.288 0.301 1.00 0.00 N ATOM 0 H LYS A 60 22.929 6.453 2.557 1.00 0.00 H new ATOM 0 HA LYS A 60 23.467 8.195 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 60 24.790 9.520 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 60 25.286 7.842 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 60 24.196 7.513 1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.289 9.005 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 60 25.127 9.330 -0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 60 25.401 10.313 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 60 27.493 9.272 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 60 26.930 8.536 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 27.763 6.923 0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 26.142 6.637 0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 26.518 7.364 -0.700 1.00 0.00 H new ATOM 903 N ILE A 61 21.036 8.547 2.833 1.00 0.00 N ATOM 904 CA ILE A 61 19.915 9.368 2.393 1.00 0.00 C ATOM 905 C ILE A 61 18.956 9.612 3.544 1.00 0.00 C ATOM 906 O ILE A 61 18.707 8.721 4.357 1.00 0.00 O ATOM 907 CB ILE A 61 19.137 8.692 1.246 1.00 0.00 C ATOM 908 CG1 ILE A 61 20.079 8.337 0.097 1.00 0.00 C ATOM 909 CG2 ILE A 61 18.004 9.585 0.754 1.00 0.00 C ATOM 910 CD1 ILE A 61 20.532 9.514 -0.737 1.00 0.00 C ATOM 0 H ILE A 61 20.943 7.556 2.612 1.00 0.00 H new ATOM 0 HA ILE A 61 20.327 10.312 2.038 1.00 0.00 H new ATOM 0 HB ILE A 61 18.698 7.772 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.958 7.840 0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.581 7.618 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.471 9.085 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.314 9.783 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.415 10.527 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.197 9.165 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.664 10.001 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.062 10.226 -0.104 1.00 0.00 H new ATOM 922 N ARG A 62 18.420 10.816 3.609 1.00 0.00 N ATOM 923 CA ARG A 62 17.447 11.148 4.634 1.00 0.00 C ATOM 924 C ARG A 62 16.056 11.204 4.028 1.00 0.00 C ATOM 925 O ARG A 62 15.573 12.256 3.612 1.00 0.00 O ATOM 926 CB ARG A 62 17.788 12.475 5.318 1.00 0.00 C ATOM 927 CG ARG A 62 19.037 12.413 6.181 1.00 0.00 C ATOM 928 CD ARG A 62 20.313 12.438 5.347 1.00 0.00 C ATOM 929 NE ARG A 62 20.463 13.694 4.612 1.00 0.00 N ATOM 930 CZ ARG A 62 21.323 13.881 3.608 1.00 0.00 C ATOM 931 NH1 ARG A 62 22.093 12.886 3.185 1.00 0.00 N ATOM 932 NH2 ARG A 62 21.404 15.068 3.021 1.00 0.00 N ATOM 0 H ARG A 62 18.640 11.578 2.968 1.00 0.00 H new ATOM 0 HA ARG A 62 17.474 10.368 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 62 17.921 13.243 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 62 16.945 12.782 5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 62 19.041 13.255 6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.016 11.505 6.783 1.00 0.00 H new ATOM 0 HD2 ARG A 62 21.175 12.294 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 62 20.303 11.605 4.644 1.00 0.00 H new ATOM 0 HE ARG A 62 19.871 14.479 4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 62 22.031 11.969 3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 62 22.747 13.038 2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 62 20.810 15.835 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 62 22.060 15.214 2.254 1.00 0.00 H new ATOM 946 N CYS A 63 15.426 10.052 3.989 1.00 0.00 N ATOM 947 CA CYS A 63 14.111 9.902 3.397 1.00 0.00 C ATOM 948 C CYS A 63 13.214 9.117 4.332 1.00 0.00 C ATOM 949 O CYS A 63 13.707 8.347 5.161 1.00 0.00 O ATOM 950 CB CYS A 63 14.240 9.187 2.051 1.00 0.00 C ATOM 951 SG CYS A 63 12.654 8.782 1.248 1.00 0.00 S ATOM 0 H CYS A 63 15.811 9.187 4.368 1.00 0.00 H new ATOM 0 HA CYS A 63 13.667 10.884 3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 63 14.823 9.814 1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 63 14.803 8.265 2.197 1.00 0.00 H new ATOM 956 N LEU A 64 11.905 9.315 4.217 1.00 0.00 N ATOM 957 CA LEU A 64 10.974 8.498 4.971 1.00 0.00 C ATOM 958 C LEU A 64 10.923 7.119 4.341 1.00 0.00 C ATOM 959 O LEU A 64 10.062 6.816 3.511 1.00 0.00 O ATOM 960 CB LEU A 64 9.588 9.127 5.021 1.00 0.00 C ATOM 961 CG LEU A 64 9.427 10.232 6.067 1.00 0.00 C ATOM 962 CD1 LEU A 64 10.235 11.464 5.696 1.00 0.00 C ATOM 963 CD2 LEU A 64 7.965 10.576 6.243 1.00 0.00 C ATOM 0 H LEU A 64 11.475 10.021 3.620 1.00 0.00 H new ATOM 0 HA LEU A 64 11.319 8.421 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.354 9.538 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.856 8.345 5.222 1.00 0.00 H new ATOM 0 HG LEU A 64 9.813 9.862 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.100 12.231 6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.291 11.200 5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.895 11.846 4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.864 11.363 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.556 10.922 5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.420 9.691 6.572 1.00 0.00 H new ATOM 975 N GLU A 65 11.860 6.295 4.760 1.00 0.00 N ATOM 976 CA GLU A 65 12.075 4.986 4.166 1.00 0.00 C ATOM 977 C GLU A 65 11.178 3.915 4.769 1.00 0.00 C ATOM 978 O GLU A 65 10.439 4.177 5.721 1.00 0.00 O ATOM 979 CB GLU A 65 13.562 4.574 4.221 1.00 0.00 C ATOM 980 CG GLU A 65 14.305 4.907 5.516 1.00 0.00 C ATOM 981 CD GLU A 65 13.808 4.141 6.725 1.00 0.00 C ATOM 982 OE1 GLU A 65 12.974 4.687 7.480 1.00 0.00 O ATOM 983 OE2 GLU A 65 14.275 3.002 6.943 1.00 0.00 O ATOM 0 H GLU A 65 12.498 6.512 5.525 1.00 0.00 H new ATOM 0 HA GLU A 65 11.793 5.074 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.626 3.499 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.082 5.056 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.366 4.699 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.212 5.975 5.712 1.00 0.00 H new ATOM 990 N GLU A 66 11.219 2.738 4.139 1.00 0.00 N ATOM 991 CA GLU A 66 10.447 1.553 4.527 1.00 0.00 C ATOM 992 C GLU A 66 9.105 1.511 3.820 1.00 0.00 C ATOM 993 O GLU A 66 8.057 1.824 4.386 1.00 0.00 O ATOM 994 CB GLU A 66 10.285 1.412 6.040 1.00 0.00 C ATOM 995 CG GLU A 66 11.613 1.344 6.760 1.00 0.00 C ATOM 996 CD GLU A 66 11.598 0.371 7.915 1.00 0.00 C ATOM 997 OE1 GLU A 66 11.883 -0.825 7.692 1.00 0.00 O ATOM 998 OE2 GLU A 66 11.298 0.795 9.052 1.00 0.00 O ATOM 0 H GLU A 66 11.807 2.578 3.321 1.00 0.00 H new ATOM 0 HA GLU A 66 11.029 0.690 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.711 2.257 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.710 0.512 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.390 1.052 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.873 2.336 7.129 1.00 0.00 H new ATOM 1005 N GLN A 67 9.173 1.153 2.551 1.00 0.00 N ATOM 1006 CA GLN A 67 7.998 0.877 1.757 1.00 0.00 C ATOM 1007 C GLN A 67 7.703 -0.615 1.858 1.00 0.00 C ATOM 1008 O GLN A 67 6.840 -1.030 2.631 1.00 0.00 O ATOM 1009 CB GLN A 67 8.251 1.295 0.302 1.00 0.00 C ATOM 1010 CG GLN A 67 7.087 1.999 -0.396 1.00 0.00 C ATOM 1011 CD GLN A 67 5.917 1.100 -0.753 1.00 0.00 C ATOM 1012 OE1 GLN A 67 5.603 0.146 -0.053 1.00 0.00 O ATOM 1013 NE2 GLN A 67 5.283 1.390 -1.880 1.00 0.00 N ATOM 0 H GLN A 67 10.051 1.046 2.043 1.00 0.00 H new ATOM 0 HA GLN A 67 7.139 1.441 2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.118 1.955 0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.511 0.406 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.727 2.800 0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 67 7.459 2.466 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.574 2.194 -2.437 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.504 0.810 -2.191 1.00 0.00 H new ATOM 1022 N LEU A 68 8.482 -1.412 1.123 1.00 0.00 N ATOM 1023 CA LEU A 68 8.369 -2.870 1.138 1.00 0.00 C ATOM 1024 C LEU A 68 9.407 -3.496 0.222 1.00 0.00 C ATOM 1025 O LEU A 68 9.778 -2.917 -0.794 1.00 0.00 O ATOM 1026 CB LEU A 68 6.977 -3.317 0.695 1.00 0.00 C ATOM 1027 CG LEU A 68 6.051 -3.733 1.829 1.00 0.00 C ATOM 1028 CD1 LEU A 68 4.610 -3.541 1.425 1.00 0.00 C ATOM 1029 CD2 LEU A 68 6.296 -5.175 2.242 1.00 0.00 C ATOM 0 H LEU A 68 9.210 -1.063 0.500 1.00 0.00 H new ATOM 0 HA LEU A 68 8.540 -3.202 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.508 -2.503 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.082 -4.154 0.004 1.00 0.00 H new ATOM 0 HG LEU A 68 6.266 -3.098 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.959 -3.842 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.435 -2.491 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.394 -4.150 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.619 -5.441 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.118 -5.832 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.327 -5.287 2.578 1.00 0.00 H new ATOM 1041 N GLY A 69 9.885 -4.668 0.595 1.00 0.00 N ATOM 1042 CA GLY A 69 10.780 -5.404 -0.267 1.00 0.00 C ATOM 1043 C GLY A 69 12.223 -4.979 -0.113 1.00 0.00 C ATOM 1044 O GLY A 69 12.535 -4.073 0.666 1.00 0.00 O ATOM 0 H GLY A 69 9.669 -5.125 1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.694 -6.468 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.474 -5.266 -1.304 1.00 0.00 H new ATOM 1048 N LEU A 70 13.103 -5.641 -0.846 1.00 0.00 N ATOM 1049 CA LEU A 70 14.515 -5.316 -0.817 1.00 0.00 C ATOM 1050 C LEU A 70 14.930 -4.685 -2.140 1.00 0.00 C ATOM 1051 O LEU A 70 14.566 -5.162 -3.217 1.00 0.00 O ATOM 1052 CB LEU A 70 15.340 -6.579 -0.549 1.00 0.00 C ATOM 1053 CG LEU A 70 16.499 -6.418 0.445 1.00 0.00 C ATOM 1054 CD1 LEU A 70 17.203 -7.749 0.650 1.00 0.00 C ATOM 1055 CD2 LEU A 70 17.491 -5.365 -0.026 1.00 0.00 C ATOM 0 H LEU A 70 12.860 -6.410 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 70 14.699 -4.602 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.672 -7.355 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.745 -6.934 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 70 16.082 -6.084 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.023 -7.622 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.495 -8.478 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.597 -8.103 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.299 -5.276 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.902 -5.659 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.984 -4.405 -0.124 1.00 0.00 H new ATOM 1067 N CYS A 71 15.682 -3.605 -2.044 1.00 0.00 N ATOM 1068 CA CYS A 71 16.206 -2.904 -3.206 1.00 0.00 C ATOM 1069 C CYS A 71 17.360 -3.675 -3.844 1.00 0.00 C ATOM 1070 O CYS A 71 17.890 -4.598 -3.228 1.00 0.00 O ATOM 1071 CB CYS A 71 16.659 -1.507 -2.797 1.00 0.00 C ATOM 1072 SG CYS A 71 15.286 -0.320 -2.634 1.00 0.00 S ATOM 0 H CYS A 71 15.949 -3.185 -1.154 1.00 0.00 H new ATOM 0 HA CYS A 71 15.413 -2.824 -3.950 1.00 0.00 H new ATOM 0 HB2 CYS A 71 17.191 -1.569 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 71 17.368 -1.132 -3.535 1.00 0.00 H new ATOM 1077 N PRO A 72 17.717 -3.359 -5.108 1.00 0.00 N ATOM 1078 CA PRO A 72 18.868 -3.967 -5.786 1.00 0.00 C ATOM 1079 C PRO A 72 20.095 -4.074 -4.879 1.00 0.00 C ATOM 1080 O PRO A 72 20.675 -5.156 -4.737 1.00 0.00 O ATOM 1081 CB PRO A 72 19.126 -3.007 -6.943 1.00 0.00 C ATOM 1082 CG PRO A 72 17.776 -2.483 -7.288 1.00 0.00 C ATOM 1083 CD PRO A 72 17.012 -2.403 -5.990 1.00 0.00 C ATOM 0 HA PRO A 72 18.671 -4.993 -6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 72 19.803 -2.204 -6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 72 19.584 -3.518 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 72 17.848 -1.503 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.272 -3.141 -7.996 1.00 0.00 H new ATOM 0 HD2 PRO A 72 17.026 -1.394 -5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.966 -2.678 -6.124 1.00 0.00 H new ATOM 1091 N LEU A 73 20.480 -2.962 -4.255 1.00 0.00 N ATOM 1092 CA LEU A 73 21.558 -2.981 -3.272 1.00 0.00 C ATOM 1093 C LEU A 73 21.043 -3.561 -1.965 1.00 0.00 C ATOM 1094 O LEU A 73 19.847 -3.539 -1.689 1.00 0.00 O ATOM 1095 CB LEU A 73 22.122 -1.588 -2.995 1.00 0.00 C ATOM 1096 CG LEU A 73 22.828 -0.870 -4.151 1.00 0.00 C ATOM 1097 CD1 LEU A 73 23.659 -1.843 -4.969 1.00 0.00 C ATOM 1098 CD2 LEU A 73 21.837 -0.111 -5.020 1.00 0.00 C ATOM 0 H LEU A 73 20.064 -2.044 -4.412 1.00 0.00 H new ATOM 0 HA LEU A 73 22.358 -3.594 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.303 -0.954 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 73 22.827 -1.668 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 73 23.509 -0.135 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 73 24.149 -1.308 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 73 24.413 -2.303 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 73 23.012 -2.617 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 73 22.370 0.387 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.111 -0.808 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 73 21.319 0.633 -4.416 1.00 0.00 H new ATOM 1110 N LYS A 74 21.959 -4.029 -1.144 1.00 0.00 N ATOM 1111 CA LYS A 74 21.596 -4.830 0.018 1.00 0.00 C ATOM 1112 C LYS A 74 21.525 -4.002 1.293 1.00 0.00 C ATOM 1113 O LYS A 74 20.858 -4.388 2.253 1.00 0.00 O ATOM 1114 CB LYS A 74 22.580 -5.986 0.188 1.00 0.00 C ATOM 1115 CG LYS A 74 22.605 -6.934 -1.002 1.00 0.00 C ATOM 1116 CD LYS A 74 21.224 -7.507 -1.281 1.00 0.00 C ATOM 1117 CE LYS A 74 21.242 -8.479 -2.450 1.00 0.00 C ATOM 1118 NZ LYS A 74 22.141 -9.634 -2.201 1.00 0.00 N ATOM 0 H LYS A 74 22.961 -3.872 -1.255 1.00 0.00 H new ATOM 0 HA LYS A 74 20.597 -5.228 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.581 -5.583 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.319 -6.547 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 74 22.966 -6.405 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 74 23.306 -7.746 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.855 -8.016 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.530 -6.694 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.231 -8.841 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.564 -7.957 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.949 -10.380 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.131 -9.327 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.973 -10.005 -1.244 1.00 0.00 H new ATOM 1132 N ARG A 75 22.203 -2.867 1.304 1.00 0.00 N ATOM 1133 CA ARG A 75 22.184 -1.983 2.462 1.00 0.00 C ATOM 1134 C ARG A 75 21.177 -0.860 2.264 1.00 0.00 C ATOM 1135 O ARG A 75 21.075 0.056 3.082 1.00 0.00 O ATOM 1136 CB ARG A 75 23.574 -1.407 2.715 1.00 0.00 C ATOM 1137 CG ARG A 75 24.555 -2.431 3.257 1.00 0.00 C ATOM 1138 CD ARG A 75 25.949 -1.852 3.397 1.00 0.00 C ATOM 1139 NE ARG A 75 26.586 -1.621 2.102 1.00 0.00 N ATOM 1140 CZ ARG A 75 27.836 -1.185 1.956 1.00 0.00 C ATOM 1141 NH1 ARG A 75 28.572 -0.896 3.024 1.00 0.00 N ATOM 1142 NH2 ARG A 75 28.352 -1.038 0.743 1.00 0.00 N ATOM 0 H ARG A 75 22.773 -2.534 0.527 1.00 0.00 H new ATOM 0 HA ARG A 75 21.883 -2.566 3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 75 23.965 -0.996 1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 75 23.495 -0.580 3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 75 24.210 -2.788 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 75 24.584 -3.294 2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 75 25.896 -0.912 3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 75 26.565 -2.531 3.986 1.00 0.00 H new ATOM 0 HE ARG A 75 26.041 -1.805 1.260 1.00 0.00 H new ATOM 0 HH11 ARG A 75 28.180 -1.008 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 75 29.529 -0.562 2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 75 27.791 -1.259 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 75 29.309 -0.704 0.633 1.00 0.00 H new ATOM 1156 N TRP A 76 20.433 -0.941 1.174 1.00 0.00 N ATOM 1157 CA TRP A 76 19.462 0.082 0.831 1.00 0.00 C ATOM 1158 C TRP A 76 18.067 -0.318 1.268 1.00 0.00 C ATOM 1159 O TRP A 76 17.712 -1.497 1.263 1.00 0.00 O ATOM 1160 CB TRP A 76 19.468 0.332 -0.672 1.00 0.00 C ATOM 1161 CG TRP A 76 20.725 0.975 -1.164 1.00 0.00 C ATOM 1162 CD1 TRP A 76 22.006 0.621 -0.858 1.00 0.00 C ATOM 1163 CD2 TRP A 76 20.821 2.099 -2.038 1.00 0.00 C ATOM 1164 NE1 TRP A 76 22.888 1.425 -1.521 1.00 0.00 N ATOM 1165 CE2 TRP A 76 22.186 2.346 -2.245 1.00 0.00 C ATOM 1166 CE3 TRP A 76 19.885 2.913 -2.673 1.00 0.00 C ATOM 1167 CZ2 TRP A 76 22.635 3.372 -3.061 1.00 0.00 C ATOM 1168 CZ3 TRP A 76 20.331 3.944 -3.469 1.00 0.00 C ATOM 1169 CH2 TRP A 76 21.697 4.164 -3.658 1.00 0.00 C ATOM 0 H TRP A 76 20.484 -1.711 0.507 1.00 0.00 H new ATOM 0 HA TRP A 76 19.743 0.995 1.355 1.00 0.00 H new ATOM 0 HB2 TRP A 76 19.327 -0.616 -1.191 1.00 0.00 H new ATOM 0 HB3 TRP A 76 18.620 0.966 -0.930 1.00 0.00 H new ATOM 0 HD1 TRP A 76 22.283 -0.180 -0.188 1.00 0.00 H new ATOM 0 HE1 TRP A 76 23.904 1.350 -1.482 1.00 0.00 H new ATOM 0 HE3 TRP A 76 18.827 2.738 -2.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 23.690 3.539 -3.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 19.615 4.591 -3.954 1.00 0.00 H new ATOM 0 HH2 TRP A 76 22.018 4.978 -4.290 1.00 0.00 H new ATOM 1180 N THR A 77 17.285 0.673 1.635 1.00 0.00 N ATOM 1181 CA THR A 77 15.917 0.451 2.048 1.00 0.00 C ATOM 1182 C THR A 77 14.954 0.982 0.992 1.00 0.00 C ATOM 1183 O THR A 77 15.146 2.084 0.468 1.00 0.00 O ATOM 1184 CB THR A 77 15.635 1.154 3.387 1.00 0.00 C ATOM 1185 OG1 THR A 77 16.658 0.823 4.336 1.00 0.00 O ATOM 1186 CG2 THR A 77 14.275 0.751 3.942 1.00 0.00 C ATOM 0 H THR A 77 17.577 1.650 1.656 1.00 0.00 H new ATOM 0 HA THR A 77 15.770 -0.622 2.169 1.00 0.00 H new ATOM 0 HB THR A 77 15.631 2.230 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 77 16.474 1.275 5.186 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.102 1.263 4.889 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.496 1.028 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.253 -0.327 4.103 1.00 0.00 H new ATOM 1194 N CYS A 78 13.939 0.193 0.660 1.00 0.00 N ATOM 1195 CA CYS A 78 12.885 0.658 -0.224 1.00 0.00 C ATOM 1196 C CYS A 78 12.110 1.750 0.496 1.00 0.00 C ATOM 1197 O CYS A 78 11.621 1.539 1.602 1.00 0.00 O ATOM 1198 CB CYS A 78 11.951 -0.492 -0.624 1.00 0.00 C ATOM 1199 SG CYS A 78 10.674 -0.030 -1.843 1.00 0.00 S ATOM 0 H CYS A 78 13.826 -0.766 0.989 1.00 0.00 H new ATOM 0 HA CYS A 78 13.323 1.050 -1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.550 -1.306 -1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 78 11.461 -0.875 0.271 1.00 0.00 H new ATOM 1204 N CYS A 79 12.028 2.916 -0.110 1.00 0.00 N ATOM 1205 CA CYS A 79 11.429 4.069 0.538 1.00 0.00 C ATOM 1206 C CYS A 79 10.152 4.495 -0.162 1.00 0.00 C ATOM 1207 O CYS A 79 10.058 4.464 -1.392 1.00 0.00 O ATOM 1208 CB CYS A 79 12.441 5.210 0.586 1.00 0.00 C ATOM 1209 SG CYS A 79 11.727 6.853 0.924 1.00 0.00 S ATOM 0 H CYS A 79 12.370 3.093 -1.055 1.00 0.00 H new ATOM 0 HA CYS A 79 11.157 3.796 1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 79 13.182 4.987 1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 79 12.970 5.248 -0.367 1.00 0.00 H new ATOM 1214 N LYS A 80 9.167 4.889 0.629 1.00 0.00 N ATOM 1215 CA LYS A 80 7.859 5.213 0.100 1.00 0.00 C ATOM 1216 C LYS A 80 7.831 6.625 -0.459 1.00 0.00 C ATOM 1217 O LYS A 80 7.662 7.589 0.285 1.00 0.00 O ATOM 1218 CB LYS A 80 6.808 5.059 1.200 1.00 0.00 C ATOM 1219 CG LYS A 80 5.383 4.991 0.686 1.00 0.00 C ATOM 1220 CD LYS A 80 4.383 4.739 1.809 1.00 0.00 C ATOM 1221 CE LYS A 80 4.665 3.444 2.568 1.00 0.00 C ATOM 1222 NZ LYS A 80 5.584 3.647 3.722 1.00 0.00 N ATOM 0 H LYS A 80 9.252 4.991 1.640 1.00 0.00 H new ATOM 0 HA LYS A 80 7.634 4.525 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.022 4.154 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.895 5.898 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.134 5.925 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.303 4.197 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.407 5.577 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.377 4.700 1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.725 3.025 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.100 2.714 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.371 2.969 3.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.960 4.616 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.064 3.497 4.610 1.00 0.00 H new ATOM 1236 N GLU A 81 8.020 6.718 -1.775 1.00 0.00 N ATOM 1237 CA GLU A 81 7.800 7.951 -2.534 1.00 0.00 C ATOM 1238 C GLU A 81 8.487 9.165 -1.901 1.00 0.00 C ATOM 1239 O GLU A 81 7.908 9.865 -1.067 1.00 0.00 O ATOM 1240 CB GLU A 81 6.300 8.189 -2.683 1.00 0.00 C ATOM 1241 CG GLU A 81 5.608 7.119 -3.517 1.00 0.00 C ATOM 1242 CD GLU A 81 4.100 7.146 -3.381 1.00 0.00 C ATOM 1243 OE1 GLU A 81 3.522 6.130 -2.940 1.00 0.00 O ATOM 1244 OE2 GLU A 81 3.485 8.188 -3.699 1.00 0.00 O ATOM 0 H GLU A 81 8.332 5.935 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 81 8.253 7.825 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.843 8.223 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.136 9.163 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.875 7.254 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.977 6.138 -3.218 1.00 0.00 H new ATOM 1251 N ILE A 82 9.721 9.410 -2.326 1.00 0.00 N ATOM 1252 CA ILE A 82 10.532 10.494 -1.782 1.00 0.00 C ATOM 1253 C ILE A 82 9.937 11.845 -2.165 1.00 0.00 C ATOM 1254 O ILE A 82 10.089 12.246 -3.340 1.00 0.00 O ATOM 1255 CB ILE A 82 11.988 10.431 -2.297 1.00 0.00 C ATOM 1256 CG1 ILE A 82 12.568 9.025 -2.125 1.00 0.00 C ATOM 1257 CG2 ILE A 82 12.851 11.453 -1.567 1.00 0.00 C ATOM 1258 CD1 ILE A 82 13.974 8.879 -2.669 1.00 0.00 C ATOM 1259 OXT ILE A 82 9.323 12.497 -1.297 1.00 0.00 O ATOM 0 H ILE A 82 10.186 8.867 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 82 10.537 10.378 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 82 11.984 10.669 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.569 8.768 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.917 8.309 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.874 11.398 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.455 12.454 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.842 11.240 -0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 82 14.320 7.857 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 82 13.977 9.104 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 82 14.638 9.571 -2.151 1.00 0.00 H new