USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 260 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 CYS SG : rot 180:sc= -4.06! USER MOD Set 1.2: A 23 CYS SG : rot 180:sc= -2.33! USER MOD Set 1.3: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 31 HIS : no HE2:sc= -8.88! C(o=-15!,f=-16!) USER MOD Set 2.1: A 17 CYS SG : rot 125:sc= -1.12! USER MOD Set 2.2: A 33 CYS SG : rot -63:sc= 0.703 USER MOD Single : A 3 CYS SG : rot -6:sc= 0.221 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -145:sc= -2.39! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.26! C(o=-2.3!,f=-3.7!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc=-0.000437 (180deg=-0.359) USER MOD ----------------------------------------------------------------- ATOM 32 N CYS A 3 -33.630 28.706 4.950 1.00 0.00 N ATOM 33 CA CYS A 3 -32.198 28.869 4.899 1.00 0.00 C ATOM 34 C CYS A 3 -31.831 30.027 3.944 1.00 0.00 C ATOM 35 O CYS A 3 -32.563 31.029 4.062 1.00 0.00 O ATOM 36 CB CYS A 3 -31.517 27.577 4.465 1.00 0.00 C ATOM 37 SG CYS A 3 -32.662 26.342 3.775 1.00 0.00 S ATOM 0 HA CYS A 3 -31.842 29.113 5.900 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -30.756 27.810 3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -31.002 27.143 5.322 1.00 0.00 H new ATOM 0 HG CYS A 3 -33.885 26.760 3.912 1.00 0.00 H new ATOM 42 N VAL A 4 -30.516 30.098 3.644 1.00 0.00 N ATOM 43 CA VAL A 4 -29.948 31.441 3.386 1.00 0.00 C ATOM 44 C VAL A 4 -28.467 31.298 3.094 1.00 0.00 C ATOM 45 O VAL A 4 -27.704 30.898 3.975 1.00 0.00 O ATOM 46 CB VAL A 4 -30.258 32.281 4.622 1.00 0.00 C ATOM 47 CG1 VAL A 4 -28.998 32.927 5.187 1.00 0.00 C ATOM 48 CG2 VAL A 4 -31.250 33.383 4.239 1.00 0.00 C ATOM 0 H VAL A 4 -29.871 29.311 3.577 1.00 0.00 H new ATOM 0 HA VAL A 4 -30.377 31.937 2.515 1.00 0.00 H new ATOM 0 HB VAL A 4 -30.680 31.626 5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -29.255 33.518 6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -28.285 32.151 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -28.552 33.575 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -31.478 33.989 5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -30.812 34.014 3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -32.168 32.932 3.862 1.00 0.00 H new ATOM 58 N LYS A 5 -28.087 31.444 1.819 1.00 0.00 N ATOM 59 CA LYS A 5 -26.744 31.095 1.385 1.00 0.00 C ATOM 60 C LYS A 5 -26.361 31.926 0.165 1.00 0.00 C ATOM 61 O LYS A 5 -27.103 31.948 -0.816 1.00 0.00 O ATOM 62 CB LYS A 5 -26.689 29.602 1.065 1.00 0.00 C ATOM 63 CG LYS A 5 -27.962 29.186 0.334 1.00 0.00 C ATOM 64 CD LYS A 5 -27.843 27.732 -0.111 1.00 0.00 C ATOM 65 CE LYS A 5 -29.185 27.029 0.087 1.00 0.00 C ATOM 66 NZ LYS A 5 -29.292 25.845 -0.781 1.00 0.00 N ATOM 0 H LYS A 5 -28.692 31.800 1.079 1.00 0.00 H new ATOM 0 HA LYS A 5 -26.031 31.310 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -25.817 29.384 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -26.582 29.027 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -28.825 29.307 0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -28.124 29.830 -0.531 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -27.546 27.684 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -27.067 27.227 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -29.293 26.731 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -29.998 27.721 -0.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -30.212 25.385 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -29.211 26.136 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -28.528 25.177 -0.552 1.00 0.00 H new ATOM 80 N LYS A 6 -25.119 32.418 0.147 1.00 0.00 N ATOM 81 CA LYS A 6 -24.569 33.062 -1.033 1.00 0.00 C ATOM 82 C LYS A 6 -25.160 34.460 -1.184 1.00 0.00 C ATOM 83 O LYS A 6 -26.247 34.611 -1.739 1.00 0.00 O ATOM 84 CB LYS A 6 -24.871 32.212 -2.267 1.00 0.00 C ATOM 85 CG LYS A 6 -23.648 32.191 -3.179 1.00 0.00 C ATOM 86 CD LYS A 6 -24.097 32.301 -4.633 1.00 0.00 C ATOM 87 CE LYS A 6 -25.102 31.191 -4.939 1.00 0.00 C ATOM 88 NZ LYS A 6 -25.426 31.156 -6.375 1.00 0.00 N ATOM 0 H LYS A 6 -24.480 32.379 0.941 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.488 33.155 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -25.133 31.197 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -25.730 32.619 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.981 33.016 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.085 31.270 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -24.550 33.276 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -23.237 32.221 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -24.692 30.229 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -26.012 31.350 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.110 30.394 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.838 32.067 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.559 30.982 -6.922 1.00 0.00 H new ATOM 102 N ASP A 7 -24.329 35.481 -0.936 1.00 0.00 N ATOM 103 CA ASP A 7 -24.804 36.853 -0.970 1.00 0.00 C ATOM 104 C ASP A 7 -25.963 37.027 0.004 1.00 0.00 C ATOM 105 O ASP A 7 -26.621 38.068 -0.011 1.00 0.00 O ATOM 106 CB ASP A 7 -25.239 37.198 -2.395 1.00 0.00 C ATOM 107 CG ASP A 7 -24.135 36.867 -3.391 1.00 0.00 C ATOM 108 OD1 ASP A 7 -24.035 35.673 -3.749 1.00 0.00 O ATOM 109 OD2 ASP A 7 -23.460 37.824 -3.828 1.00 0.00 O ATOM 0 H ASP A 7 -23.339 35.377 -0.713 1.00 0.00 H new ATOM 0 HA ASP A 7 -24.003 37.528 -0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -26.143 36.644 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -25.487 38.258 -2.458 1.00 0.00 H new ATOM 114 N GLU A 8 -26.046 36.138 0.996 1.00 0.00 N ATOM 115 CA GLU A 8 -27.049 36.251 2.040 1.00 0.00 C ATOM 116 C GLU A 8 -26.394 36.738 3.329 1.00 0.00 C ATOM 117 O GLU A 8 -25.347 37.382 3.275 1.00 0.00 O ATOM 118 CB GLU A 8 -27.719 34.895 2.248 1.00 0.00 C ATOM 119 CG GLU A 8 -28.436 34.485 0.962 1.00 0.00 C ATOM 120 CD GLU A 8 -29.937 34.721 1.082 1.00 0.00 C ATOM 121 OE1 GLU A 8 -30.310 35.910 1.191 1.00 0.00 O ATOM 122 OE2 GLU A 8 -30.682 33.745 0.841 1.00 0.00 O ATOM 0 H GLU A 8 -25.427 35.333 1.092 1.00 0.00 H new ATOM 0 HA GLU A 8 -27.810 36.974 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -26.975 34.146 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -28.430 34.950 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -28.040 35.055 0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -28.244 33.433 0.753 1.00 0.00 H new ATOM 129 N LEU A 9 -27.137 36.661 4.436 1.00 0.00 N ATOM 130 CA LEU A 9 -26.700 37.242 5.693 1.00 0.00 C ATOM 131 C LEU A 9 -26.446 36.135 6.710 1.00 0.00 C ATOM 132 O LEU A 9 -27.077 35.083 6.651 1.00 0.00 O ATOM 133 CB LEU A 9 -27.771 38.207 6.201 1.00 0.00 C ATOM 134 CG LEU A 9 -27.231 38.980 7.400 1.00 0.00 C ATOM 135 CD1 LEU A 9 -27.363 40.479 7.141 1.00 0.00 C ATOM 136 CD2 LEU A 9 -28.028 38.608 8.647 1.00 0.00 C ATOM 0 H LEU A 9 -28.045 36.199 4.480 1.00 0.00 H new ATOM 0 HA LEU A 9 -25.771 37.793 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -28.058 38.898 5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -28.668 37.656 6.484 1.00 0.00 H new ATOM 0 HG LEU A 9 -26.181 38.728 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -26.977 41.032 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -26.794 40.746 6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -28.413 40.731 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -27.642 39.160 9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -29.078 38.859 8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -27.934 37.538 8.833 1.00 0.00 H new ATOM 148 N CYS A 10 -25.443 36.335 7.568 1.00 0.00 N ATOM 149 CA CYS A 10 -25.058 35.330 8.540 1.00 0.00 C ATOM 150 C CYS A 10 -26.062 35.312 9.688 1.00 0.00 C ATOM 151 O CYS A 10 -26.696 36.330 9.963 1.00 0.00 O ATOM 152 CB CYS A 10 -23.648 35.635 9.052 1.00 0.00 C ATOM 153 SG CYS A 10 -23.608 36.598 10.591 1.00 0.00 S ATOM 0 H CYS A 10 -24.886 37.189 7.603 1.00 0.00 H new ATOM 0 HA CYS A 10 -25.055 34.345 8.074 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -23.120 34.695 9.211 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -23.103 36.180 8.281 1.00 0.00 H new ATOM 0 HG CYS A 10 -22.373 36.803 10.943 1.00 0.00 H new ATOM 158 N ILE A 11 -26.362 34.113 10.197 1.00 0.00 N ATOM 159 CA ILE A 11 -27.433 33.938 11.161 1.00 0.00 C ATOM 160 C ILE A 11 -26.881 33.304 12.435 1.00 0.00 C ATOM 161 O ILE A 11 -26.918 32.079 12.563 1.00 0.00 O ATOM 162 CB ILE A 11 -28.523 33.059 10.553 1.00 0.00 C ATOM 163 CG1 ILE A 11 -28.885 33.572 9.164 1.00 0.00 C ATOM 164 CG2 ILE A 11 -29.757 33.074 11.449 1.00 0.00 C ATOM 165 CD1 ILE A 11 -29.521 34.955 9.281 1.00 0.00 C ATOM 0 H ILE A 11 -25.872 33.253 9.952 1.00 0.00 H new ATOM 0 HA ILE A 11 -27.862 34.907 11.415 1.00 0.00 H new ATOM 0 HB ILE A 11 -28.154 32.037 10.470 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -27.993 33.622 8.539 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -29.576 32.882 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -30.532 32.445 11.011 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -29.495 32.692 12.436 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -30.127 34.095 11.541 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -29.780 35.322 8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -30.423 34.891 9.890 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -28.815 35.642 9.749 1.00 0.00 H new ATOM 177 N PRO A 12 -26.728 34.117 13.484 1.00 0.00 N ATOM 178 CA PRO A 12 -26.066 33.626 14.704 1.00 0.00 C ATOM 179 C PRO A 12 -27.071 32.939 15.603 1.00 0.00 C ATOM 180 O PRO A 12 -26.689 32.226 16.531 1.00 0.00 O ATOM 181 CB PRO A 12 -25.444 34.857 15.385 1.00 0.00 C ATOM 182 CG PRO A 12 -25.766 36.075 14.505 1.00 0.00 C ATOM 183 CD PRO A 12 -26.578 35.567 13.305 1.00 0.00 C ATOM 0 HA PRO A 12 -25.296 32.888 14.478 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -25.851 34.989 16.388 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -24.366 34.734 15.492 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.334 36.816 15.067 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -24.849 36.561 14.171 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -27.552 36.055 13.262 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -26.067 35.791 12.369 1.00 0.00 H new ATOM 191 N TYR A 13 -28.363 33.204 15.384 1.00 0.00 N ATOM 192 CA TYR A 13 -29.409 32.689 16.247 1.00 0.00 C ATOM 193 C TYR A 13 -29.660 31.217 15.938 1.00 0.00 C ATOM 194 O TYR A 13 -30.674 30.883 15.328 1.00 0.00 O ATOM 195 CB TYR A 13 -30.688 33.506 16.033 1.00 0.00 C ATOM 196 CG TYR A 13 -30.766 34.733 16.914 1.00 0.00 C ATOM 197 CD1 TYR A 13 -29.718 35.663 16.911 1.00 0.00 C ATOM 198 CD2 TYR A 13 -31.886 34.942 17.728 1.00 0.00 C ATOM 199 CE1 TYR A 13 -29.790 36.801 17.725 1.00 0.00 C ATOM 200 CE2 TYR A 13 -31.958 36.080 18.542 1.00 0.00 C ATOM 201 CZ TYR A 13 -30.910 37.009 18.540 1.00 0.00 C ATOM 202 OH TYR A 13 -30.980 38.117 19.332 1.00 0.00 O ATOM 0 H TYR A 13 -28.702 33.776 14.610 1.00 0.00 H new ATOM 0 HA TYR A 13 -29.100 32.775 17.289 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -30.745 33.812 14.989 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -31.553 32.872 16.227 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -28.855 35.503 16.282 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -32.694 34.226 17.728 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -28.982 37.518 17.724 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -32.821 36.241 19.171 1.00 0.00 H new ATOM 0 HH TYR A 13 -31.823 38.109 19.832 1.00 0.00 H new ATOM 212 N TYR A 14 -28.847 30.337 16.528 1.00 0.00 N ATOM 213 CA TYR A 14 -29.072 28.907 16.439 1.00 0.00 C ATOM 214 C TYR A 14 -29.444 28.525 15.012 1.00 0.00 C ATOM 215 O TYR A 14 -30.029 27.467 14.786 1.00 0.00 O ATOM 216 CB TYR A 14 -30.183 28.509 17.416 1.00 0.00 C ATOM 217 CG TYR A 14 -29.699 28.390 18.845 1.00 0.00 C ATOM 218 CD1 TYR A 14 -29.498 29.544 19.612 1.00 0.00 C ATOM 219 CD2 TYR A 14 -29.452 27.127 19.397 1.00 0.00 C ATOM 220 CE1 TYR A 14 -29.048 29.434 20.935 1.00 0.00 C ATOM 221 CE2 TYR A 14 -29.003 27.018 20.719 1.00 0.00 C ATOM 222 CZ TYR A 14 -28.801 28.171 21.488 1.00 0.00 C ATOM 223 OH TYR A 14 -28.363 28.065 22.775 1.00 0.00 O ATOM 0 H TYR A 14 -28.026 30.599 17.073 1.00 0.00 H new ATOM 0 HA TYR A 14 -28.159 28.374 16.705 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -30.982 29.249 17.369 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -30.611 27.557 17.103 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -29.689 30.517 19.185 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -29.608 26.238 18.804 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -28.892 30.323 21.528 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -28.812 26.044 21.146 1.00 0.00 H new ATOM 0 HH TYR A 14 -28.242 27.119 23.003 1.00 0.00 H new ATOM 233 N LEU A 15 -28.981 29.318 14.043 1.00 0.00 N ATOM 234 CA LEU A 15 -29.130 28.979 12.638 1.00 0.00 C ATOM 235 C LEU A 15 -27.753 28.896 11.989 1.00 0.00 C ATOM 236 O LEU A 15 -26.822 29.569 12.426 1.00 0.00 O ATOM 237 CB LEU A 15 -29.992 30.036 11.950 1.00 0.00 C ATOM 238 CG LEU A 15 -31.185 29.365 11.276 1.00 0.00 C ATOM 239 CD1 LEU A 15 -30.696 28.484 10.130 1.00 0.00 C ATOM 240 CD2 LEU A 15 -31.932 28.507 12.294 1.00 0.00 C ATOM 0 H LEU A 15 -28.499 30.201 14.213 1.00 0.00 H new ATOM 0 HA LEU A 15 -29.621 28.011 12.537 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -30.338 30.768 12.679 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -29.401 30.577 11.211 1.00 0.00 H new ATOM 0 HG LEU A 15 -31.856 30.130 10.885 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -31.549 28.005 9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -30.166 29.097 9.401 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -30.023 27.720 10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -32.784 28.028 11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -31.262 27.743 12.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -32.285 29.136 13.111 1.00 0.00 H new ATOM 252 N ASP A 16 -27.664 28.173 10.871 1.00 0.00 N ATOM 253 CA ASP A 16 -26.429 28.083 10.116 1.00 0.00 C ATOM 254 C ASP A 16 -26.729 28.175 8.625 1.00 0.00 C ATOM 255 O ASP A 16 -27.442 27.334 8.084 1.00 0.00 O ATOM 256 CB ASP A 16 -25.732 26.761 10.445 1.00 0.00 C ATOM 257 CG ASP A 16 -24.257 26.821 10.069 1.00 0.00 C ATOM 258 OD1 ASP A 16 -23.976 26.715 8.856 1.00 0.00 O ATOM 259 OD2 ASP A 16 -23.442 27.005 10.999 1.00 0.00 O ATOM 0 H ASP A 16 -28.439 27.643 10.474 1.00 0.00 H new ATOM 0 HA ASP A 16 -25.769 28.908 10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -25.833 26.546 11.509 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -26.216 25.945 9.908 1.00 0.00 H new ATOM 264 N CYS A 17 -26.167 29.190 7.962 1.00 0.00 N ATOM 265 CA CYS A 17 -26.299 29.321 6.523 1.00 0.00 C ATOM 266 C CYS A 17 -26.013 27.980 5.857 1.00 0.00 C ATOM 267 O CYS A 17 -25.522 27.060 6.507 1.00 0.00 O ATOM 268 CB CYS A 17 -25.334 30.398 6.019 1.00 0.00 C ATOM 269 SG CYS A 17 -24.654 30.077 4.366 1.00 0.00 S ATOM 0 H CYS A 17 -25.619 29.927 8.405 1.00 0.00 H new ATOM 0 HA CYS A 17 -27.316 29.620 6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -25.853 31.357 6.006 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -24.510 30.491 6.726 1.00 0.00 H new ATOM 0 HG CYS A 17 -24.886 31.098 3.596 1.00 0.00 H new ATOM 274 N CYS A 18 -26.461 27.829 4.608 1.00 0.00 N ATOM 275 CA CYS A 18 -26.376 26.556 3.917 1.00 0.00 C ATOM 276 C CYS A 18 -24.980 26.380 3.327 1.00 0.00 C ATOM 277 O CYS A 18 -24.051 27.071 3.746 1.00 0.00 O ATOM 278 CB CYS A 18 -27.439 26.501 2.817 1.00 0.00 C ATOM 279 SG CYS A 18 -28.959 25.635 3.303 1.00 0.00 S ATOM 0 H CYS A 18 -26.885 28.578 4.061 1.00 0.00 H new ATOM 0 HA CYS A 18 -26.557 25.744 4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -27.692 27.519 2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -27.016 26.008 1.941 1.00 0.00 H new ATOM 0 HG CYS A 18 -29.442 24.998 2.278 1.00 0.00 H new ATOM 284 N GLU A 19 -24.790 25.295 2.571 1.00 0.00 N ATOM 285 CA GLU A 19 -23.464 24.890 2.135 1.00 0.00 C ATOM 286 C GLU A 19 -23.360 25.019 0.620 1.00 0.00 C ATOM 287 O GLU A 19 -24.344 24.779 -0.078 1.00 0.00 O ATOM 288 CB GLU A 19 -23.217 23.447 2.574 1.00 0.00 C ATOM 289 CG GLU A 19 -24.118 22.510 1.771 1.00 0.00 C ATOM 290 CD GLU A 19 -24.170 21.129 2.413 1.00 0.00 C ATOM 291 OE1 GLU A 19 -24.505 21.078 3.616 1.00 0.00 O ATOM 292 OE2 GLU A 19 -23.958 20.150 1.666 1.00 0.00 O ATOM 0 H GLU A 19 -25.543 24.685 2.251 1.00 0.00 H new ATOM 0 HA GLU A 19 -22.708 25.533 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -22.171 23.183 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -23.420 23.340 3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -25.123 22.927 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -23.747 22.428 0.750 1.00 0.00 H new ATOM 299 N PRO A 20 -22.186 25.407 0.116 1.00 0.00 N ATOM 300 CA PRO A 20 -20.962 25.342 0.931 1.00 0.00 C ATOM 301 C PRO A 20 -20.690 26.677 1.592 1.00 0.00 C ATOM 302 O PRO A 20 -19.561 26.949 2.002 1.00 0.00 O ATOM 303 CB PRO A 20 -19.821 24.952 -0.025 1.00 0.00 C ATOM 304 CG PRO A 20 -20.415 24.898 -1.441 1.00 0.00 C ATOM 305 CD PRO A 20 -21.911 25.220 -1.320 1.00 0.00 C ATOM 0 HA PRO A 20 -21.059 24.611 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.011 25.680 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -19.399 23.986 0.253 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -19.919 25.616 -2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -20.268 23.912 -1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -22.161 26.120 -1.883 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -22.516 24.410 -1.728 1.00 0.00 H new ATOM 313 N LEU A 21 -21.717 27.525 1.696 1.00 0.00 N ATOM 314 CA LEU A 21 -21.546 28.871 2.214 1.00 0.00 C ATOM 315 C LEU A 21 -21.595 28.859 3.739 1.00 0.00 C ATOM 316 O LEU A 21 -21.730 27.787 4.335 1.00 0.00 O ATOM 317 CB LEU A 21 -22.633 29.774 1.633 1.00 0.00 C ATOM 318 CG LEU A 21 -22.367 29.985 0.145 1.00 0.00 C ATOM 319 CD1 LEU A 21 -23.623 29.648 -0.653 1.00 0.00 C ATOM 320 CD2 LEU A 21 -21.981 31.441 -0.101 1.00 0.00 C ATOM 0 H LEU A 21 -22.674 27.296 1.426 1.00 0.00 H new ATOM 0 HA LEU A 21 -20.572 29.260 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -23.614 29.322 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -22.643 30.732 2.152 1.00 0.00 H new ATOM 0 HG LEU A 21 -21.552 29.334 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -23.431 29.799 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -23.897 28.607 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.440 30.296 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -21.791 31.592 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -22.795 32.092 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -21.081 31.680 0.466 1.00 0.00 H new ATOM 332 N GLU A 22 -21.186 29.976 4.352 1.00 0.00 N ATOM 333 CA GLU A 22 -20.918 30.003 5.781 1.00 0.00 C ATOM 334 C GLU A 22 -21.581 31.222 6.412 1.00 0.00 C ATOM 335 O GLU A 22 -22.688 31.590 6.022 1.00 0.00 O ATOM 336 CB GLU A 22 -19.407 30.031 6.006 1.00 0.00 C ATOM 337 CG GLU A 22 -19.039 29.038 7.107 1.00 0.00 C ATOM 338 CD GLU A 22 -17.583 29.210 7.525 1.00 0.00 C ATOM 339 OE1 GLU A 22 -17.195 30.375 7.758 1.00 0.00 O ATOM 340 OE2 GLU A 22 -16.872 28.182 7.532 1.00 0.00 O ATOM 0 H GLU A 22 -21.036 30.866 3.877 1.00 0.00 H new ATOM 0 HA GLU A 22 -21.331 29.111 6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.886 29.777 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.088 31.035 6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.690 29.186 7.969 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -19.203 28.020 6.755 1.00 0.00 H new ATOM 347 N CYS A 23 -21.006 31.704 7.517 1.00 0.00 N ATOM 348 CA CYS A 23 -21.635 32.739 8.318 1.00 0.00 C ATOM 349 C CYS A 23 -20.560 33.569 9.013 1.00 0.00 C ATOM 350 O CYS A 23 -19.762 33.016 9.771 1.00 0.00 O ATOM 351 CB CYS A 23 -22.562 32.082 9.345 1.00 0.00 C ATOM 352 SG CYS A 23 -22.683 32.979 10.919 1.00 0.00 S ATOM 0 H CYS A 23 -20.103 31.388 7.872 1.00 0.00 H new ATOM 0 HA CYS A 23 -22.224 33.400 7.683 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -23.559 31.992 8.913 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -22.208 31.070 9.543 1.00 0.00 H new ATOM 0 HG CYS A 23 -23.490 32.346 11.718 1.00 0.00 H new ATOM 357 N LYS A 24 -20.386 34.815 8.560 1.00 0.00 N ATOM 358 CA LYS A 24 -19.245 35.617 8.967 1.00 0.00 C ATOM 359 C LYS A 24 -19.668 37.075 9.126 1.00 0.00 C ATOM 360 O LYS A 24 -20.258 37.642 8.206 1.00 0.00 O ATOM 361 CB LYS A 24 -18.139 35.488 7.921 1.00 0.00 C ATOM 362 CG LYS A 24 -16.999 36.442 8.266 1.00 0.00 C ATOM 363 CD LYS A 24 -15.914 36.344 7.198 1.00 0.00 C ATOM 364 CE LYS A 24 -14.603 36.896 7.755 1.00 0.00 C ATOM 365 NZ LYS A 24 -13.494 36.666 6.814 1.00 0.00 N ATOM 0 H LYS A 24 -21.022 35.282 7.914 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.868 35.262 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -17.772 34.462 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -18.532 35.717 6.930 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -17.372 37.464 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -16.586 36.194 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.783 35.306 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.210 36.904 6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.706 37.964 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.380 36.420 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.614 37.049 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.384 35.645 6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.700 37.141 5.912 1.00 0.00 H new ATOM 379 N LYS A 25 -19.124 37.738 10.150 1.00 0.00 N ATOM 380 CA LYS A 25 -19.284 39.173 10.305 1.00 0.00 C ATOM 381 C LYS A 25 -18.068 39.889 9.729 1.00 0.00 C ATOM 382 O LYS A 25 -16.985 39.834 10.305 1.00 0.00 O ATOM 383 CB LYS A 25 -19.454 39.501 11.788 1.00 0.00 C ATOM 384 CG LYS A 25 -19.789 40.982 11.946 1.00 0.00 C ATOM 385 CD LYS A 25 -19.425 41.437 13.357 1.00 0.00 C ATOM 386 CE LYS A 25 -20.140 40.552 14.376 1.00 0.00 C ATOM 387 NZ LYS A 25 -20.800 41.368 15.409 1.00 0.00 N ATOM 0 H LYS A 25 -18.569 37.296 10.882 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.169 39.510 9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.247 38.890 12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.539 39.264 12.331 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.241 41.570 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.850 41.148 11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.346 41.380 13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.711 42.479 13.500 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.879 39.932 13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.423 39.877 14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.279 40.745 16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.088 41.941 15.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.499 41.995 14.962 1.00 0.00 H new ATOM 401 N VAL A 26 -18.243 40.514 8.562 1.00 0.00 N ATOM 402 CA VAL A 26 -17.135 41.133 7.857 1.00 0.00 C ATOM 403 C VAL A 26 -16.829 42.495 8.472 1.00 0.00 C ATOM 404 O VAL A 26 -15.672 42.911 8.496 1.00 0.00 O ATOM 405 CB VAL A 26 -17.494 41.278 6.379 1.00 0.00 C ATOM 406 CG1 VAL A 26 -17.528 39.899 5.727 1.00 0.00 C ATOM 407 CG2 VAL A 26 -18.864 41.936 6.251 1.00 0.00 C ATOM 0 H VAL A 26 -19.144 40.601 8.091 1.00 0.00 H new ATOM 0 HA VAL A 26 -16.247 40.508 7.945 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.747 41.896 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -17.784 40.001 4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.549 39.429 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -18.275 39.280 6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -19.121 42.040 5.197 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -19.612 41.318 6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -18.840 42.921 6.717 1.00 0.00 H new ATOM 417 N ASN A 27 -17.817 43.067 9.164 1.00 0.00 N ATOM 418 CA ASN A 27 -17.627 44.319 9.872 1.00 0.00 C ATOM 419 C ASN A 27 -18.808 44.578 10.801 1.00 0.00 C ATOM 420 O ASN A 27 -19.762 43.801 10.816 1.00 0.00 O ATOM 421 CB ASN A 27 -17.482 45.455 8.857 1.00 0.00 C ATOM 422 CG ASN A 27 -16.044 45.563 8.368 1.00 0.00 C ATOM 423 OD1 ASN A 27 -15.109 45.372 9.142 1.00 0.00 O ATOM 424 ND2 ASN A 27 -15.873 45.780 7.062 1.00 0.00 N ATOM 0 H ASN A 27 -18.756 42.676 9.245 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.722 44.264 10.477 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -18.146 45.280 8.011 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -17.788 46.397 9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.933 45.792 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -16.682 45.933 6.460 1.00 0.00 H new ATOM 431 N TRP A 28 -18.811 45.748 11.446 1.00 0.00 N ATOM 432 CA TRP A 28 -19.976 46.197 12.189 1.00 0.00 C ATOM 433 C TRP A 28 -20.871 47.040 11.288 1.00 0.00 C ATOM 434 O TRP A 28 -21.811 47.666 11.776 1.00 0.00 O ATOM 435 CB TRP A 28 -19.527 46.993 13.417 1.00 0.00 C ATOM 436 CG TRP A 28 -20.069 46.497 14.726 1.00 0.00 C ATOM 437 CD1 TRP A 28 -19.480 45.581 15.515 1.00 0.00 C ATOM 438 CD2 TRP A 28 -21.307 46.878 15.403 1.00 0.00 C ATOM 439 NE1 TRP A 28 -20.150 45.522 16.721 1.00 0.00 N ATOM 440 CE2 TRP A 28 -21.313 46.270 16.688 1.00 0.00 C ATOM 441 CE3 TRP A 28 -22.404 47.691 15.079 1.00 0.00 C ATOM 442 CZ2 TRP A 28 -22.363 46.456 17.595 1.00 0.00 C ATOM 443 CZ3 TRP A 28 -23.458 47.892 15.980 1.00 0.00 C ATOM 444 CH2 TRP A 28 -23.446 47.272 17.237 1.00 0.00 C ATOM 0 H TRP A 28 -18.021 46.393 11.465 1.00 0.00 H new ATOM 0 HA TRP A 28 -20.550 45.334 12.528 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -18.438 46.979 13.463 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -19.827 48.033 13.287 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -18.619 44.986 15.248 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -19.828 44.994 17.532 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -22.437 48.173 14.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -22.339 45.975 18.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -24.285 48.529 15.704 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -24.265 47.422 17.925 1.00 0.00 H new ATOM 455 N TRP A 29 -20.667 46.939 9.972 1.00 0.00 N ATOM 456 CA TRP A 29 -21.599 47.517 9.016 1.00 0.00 C ATOM 457 C TRP A 29 -22.634 46.467 8.623 1.00 0.00 C ATOM 458 O TRP A 29 -23.801 46.809 8.428 1.00 0.00 O ATOM 459 CB TRP A 29 -20.827 48.013 7.791 1.00 0.00 C ATOM 460 CG TRP A 29 -20.731 49.506 7.673 1.00 0.00 C ATOM 461 CD1 TRP A 29 -21.615 50.297 7.039 1.00 0.00 C ATOM 462 CD2 TRP A 29 -19.702 50.397 8.207 1.00 0.00 C ATOM 463 NE1 TRP A 29 -21.110 51.579 6.967 1.00 0.00 N ATOM 464 CE2 TRP A 29 -19.952 51.706 7.712 1.00 0.00 C ATOM 465 CE3 TRP A 29 -18.578 50.232 9.031 1.00 0.00 C ATOM 466 CZ2 TRP A 29 -19.129 52.793 8.033 1.00 0.00 C ATOM 467 CZ3 TRP A 29 -17.742 51.308 9.354 1.00 0.00 C ATOM 468 CH2 TRP A 29 -18.016 52.593 8.862 1.00 0.00 C ATOM 0 H TRP A 29 -19.868 46.464 9.552 1.00 0.00 H new ATOM 0 HA TRP A 29 -22.119 48.365 9.462 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -19.819 47.599 7.821 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -21.306 47.621 6.894 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -22.570 49.979 6.648 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -21.536 52.336 6.433 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -18.352 49.252 9.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -19.350 53.777 7.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -16.881 51.148 9.986 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -17.374 53.422 9.120 1.00 0.00 H new ATOM 479 N ASP A 30 -22.274 45.192 8.790 1.00 0.00 N ATOM 480 CA ASP A 30 -23.224 44.104 8.634 1.00 0.00 C ATOM 481 C ASP A 30 -22.476 42.777 8.562 1.00 0.00 C ATOM 482 O ASP A 30 -21.255 42.764 8.427 1.00 0.00 O ATOM 483 CB ASP A 30 -24.056 44.331 7.373 1.00 0.00 C ATOM 484 CG ASP A 30 -25.538 44.460 7.711 1.00 0.00 C ATOM 485 OD1 ASP A 30 -25.950 43.807 8.694 1.00 0.00 O ATOM 486 OD2 ASP A 30 -26.246 45.099 6.903 1.00 0.00 O ATOM 0 H ASP A 30 -21.329 44.894 9.033 1.00 0.00 H new ATOM 0 HA ASP A 30 -23.896 44.073 9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -23.715 45.234 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -23.908 43.502 6.681 1.00 0.00 H new ATOM 491 N HIS A 31 -23.228 41.674 8.502 1.00 0.00 N ATOM 492 CA HIS A 31 -22.642 40.369 8.255 1.00 0.00 C ATOM 493 C HIS A 31 -22.928 39.941 6.821 1.00 0.00 C ATOM 494 O HIS A 31 -23.338 40.760 6.001 1.00 0.00 O ATOM 495 CB HIS A 31 -23.225 39.358 9.246 1.00 0.00 C ATOM 496 CG HIS A 31 -23.264 39.889 10.655 1.00 0.00 C ATOM 497 ND1 HIS A 31 -23.930 41.058 10.983 1.00 0.00 N ATOM 498 CD2 HIS A 31 -22.618 39.494 11.805 1.00 0.00 C ATOM 499 CE1 HIS A 31 -23.535 41.414 12.216 1.00 0.00 C ATOM 500 NE2 HIS A 31 -22.813 40.454 12.800 1.00 0.00 N ATOM 0 H HIS A 31 -24.241 41.667 8.622 1.00 0.00 H new ATOM 0 HA HIS A 31 -21.562 40.416 8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -24.234 39.089 8.934 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -22.630 38.445 9.221 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -24.598 41.557 10.396 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -22.049 38.583 11.920 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -23.772 42.361 12.679 1.00 0.00 H new ATOM 508 N LYS A 32 -22.573 38.697 6.489 1.00 0.00 N ATOM 509 CA LYS A 32 -22.702 38.204 5.131 1.00 0.00 C ATOM 510 C LYS A 32 -22.253 36.749 5.063 1.00 0.00 C ATOM 511 O LYS A 32 -21.425 36.318 5.862 1.00 0.00 O ATOM 512 CB LYS A 32 -21.862 39.073 4.195 1.00 0.00 C ATOM 513 CG LYS A 32 -22.780 39.995 3.398 1.00 0.00 C ATOM 514 CD LYS A 32 -22.158 41.386 3.316 1.00 0.00 C ATOM 515 CE LYS A 32 -23.218 42.391 2.869 1.00 0.00 C ATOM 516 NZ LYS A 32 -23.921 41.912 1.666 1.00 0.00 N ATOM 0 H LYS A 32 -22.194 38.018 7.149 1.00 0.00 H new ATOM 0 HA LYS A 32 -23.745 38.256 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -21.148 39.662 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.284 38.444 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.934 39.594 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.759 40.050 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.755 41.674 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.325 41.383 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.935 42.552 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -22.749 43.353 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.376 42.715 1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.239 41.465 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -24.645 41.217 1.940 1.00 0.00 H new ATOM 530 N CYS A 33 -22.754 36.016 4.066 1.00 0.00 N ATOM 531 CA CYS A 33 -22.326 34.650 3.835 1.00 0.00 C ATOM 532 C CYS A 33 -20.915 34.641 3.259 1.00 0.00 C ATOM 533 O CYS A 33 -20.366 35.694 2.944 1.00 0.00 O ATOM 534 CB CYS A 33 -23.304 33.968 2.874 1.00 0.00 C ATOM 535 SG CYS A 33 -24.699 33.150 3.697 1.00 0.00 S ATOM 0 H CYS A 33 -23.457 36.354 3.409 1.00 0.00 H new ATOM 0 HA CYS A 33 -22.317 34.103 4.778 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -23.692 34.712 2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -22.761 33.231 2.283 1.00 0.00 H new ATOM 0 HG CYS A 33 -24.254 32.193 4.456 1.00 0.00 H new ATOM 540 N ILE A 34 -20.299 33.457 3.214 1.00 0.00 N ATOM 541 CA ILE A 34 -18.908 33.338 2.813 1.00 0.00 C ATOM 542 C ILE A 34 -18.737 32.121 1.911 1.00 0.00 C ATOM 543 O ILE A 34 -19.539 31.191 1.970 1.00 0.00 O ATOM 544 CB ILE A 34 -18.031 33.216 4.057 1.00 0.00 C ATOM 545 CG1 ILE A 34 -18.494 34.210 5.116 1.00 0.00 C ATOM 546 CG2 ILE A 34 -16.576 33.488 3.691 1.00 0.00 C ATOM 547 CD1 ILE A 34 -19.686 33.629 5.873 1.00 0.00 C ATOM 0 H ILE A 34 -20.747 32.572 3.451 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.606 34.225 2.257 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.116 32.205 4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.680 34.426 5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -18.772 35.154 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.954 33.400 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.247 32.764 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.485 34.495 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -20.017 34.339 6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.501 33.436 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -19.392 32.696 6.354 1.00 0.00 H new ATOM 559 N GLY A 35 -17.599 32.051 1.217 1.00 0.00 N ATOM 560 CA GLY A 35 -17.279 30.909 0.384 1.00 0.00 C ATOM 561 C GLY A 35 -16.784 29.757 1.249 1.00 0.00 C ATOM 562 O GLY A 35 -16.271 30.057 2.349 1.00 0.00 O ATOM 563 OXT GLY A 35 -16.791 28.619 0.731 1.00 0.00 O ATOM 0 H GLY A 35 -16.886 32.780 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -18.160 30.600 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.516 31.182 -0.344 1.00 0.00 H new