USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=11 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 11:sc= -8.95! USER MOD Set 1.2: A 31 HIS : no HD1:sc= -4.13! C(o=-13!,f=-11!) USER MOD Set 2.1: A 3 CYS SG : rot 180:sc= -0.269! USER MOD Set 2.2: A 18 CYS SG : rot 127:sc= 0.035 USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= -0.0642 (180deg=-0.344) 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 17 CYS SG : rot -95:sc= -3.39! USER MOD Single : A 23 CYS SG : rot 164:sc= 0.00381 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.217) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.103) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 58:sc= 0.432 USER MOD ----------------------------------------------------------------- ATOM 32 N CYS A 3 82.296 2.495 -72.850 1.00 0.00 N ATOM 33 CA CYS A 3 81.356 2.835 -71.810 1.00 0.00 C ATOM 34 C CYS A 3 80.026 3.306 -72.438 1.00 0.00 C ATOM 35 O CYS A 3 79.643 2.601 -73.392 1.00 0.00 O ATOM 36 CB CYS A 3 81.927 3.903 -70.887 1.00 0.00 C ATOM 37 SG CYS A 3 81.483 5.602 -71.362 1.00 0.00 S ATOM 0 HA CYS A 3 81.165 1.946 -71.209 1.00 0.00 H new ATOM 0 HB2 CYS A 3 81.577 3.717 -69.872 1.00 0.00 H new ATOM 0 HB3 CYS A 3 83.013 3.813 -70.871 1.00 0.00 H new ATOM 0 HG CYS A 3 82.011 6.440 -70.520 1.00 0.00 H new ATOM 42 N VAL A 4 79.181 3.896 -71.563 1.00 0.00 N ATOM 43 CA VAL A 4 77.730 3.736 -71.808 1.00 0.00 C ATOM 44 C VAL A 4 76.967 4.460 -70.715 1.00 0.00 C ATOM 45 O VAL A 4 77.010 4.048 -69.555 1.00 0.00 O ATOM 46 CB VAL A 4 77.468 2.232 -71.859 1.00 0.00 C ATOM 47 CG1 VAL A 4 76.348 1.829 -70.908 1.00 0.00 C ATOM 48 CG2 VAL A 4 77.069 1.845 -73.285 1.00 0.00 C ATOM 0 H VAL A 4 79.447 4.444 -70.745 1.00 0.00 H new ATOM 0 HA VAL A 4 77.393 4.176 -72.747 1.00 0.00 H new ATOM 0 HB VAL A 4 78.379 1.716 -71.556 1.00 0.00 H new ATOM 0 HG11 VAL A 4 76.188 0.753 -70.970 1.00 0.00 H new ATOM 0 HG12 VAL A 4 76.623 2.097 -69.888 1.00 0.00 H new ATOM 0 HG13 VAL A 4 75.431 2.349 -71.185 1.00 0.00 H new ATOM 0 HG21 VAL A 4 76.880 0.773 -73.332 1.00 0.00 H new ATOM 0 HG22 VAL A 4 76.166 2.385 -73.570 1.00 0.00 H new ATOM 0 HG23 VAL A 4 77.876 2.101 -73.971 1.00 0.00 H new ATOM 58 N LYS A 5 76.412 5.631 -71.045 1.00 0.00 N ATOM 59 CA LYS A 5 75.833 6.509 -70.043 1.00 0.00 C ATOM 60 C LYS A 5 74.702 7.323 -70.661 1.00 0.00 C ATOM 61 O LYS A 5 74.957 8.327 -71.325 1.00 0.00 O ATOM 62 CB LYS A 5 76.925 7.427 -69.496 1.00 0.00 C ATOM 63 CG LYS A 5 76.444 8.077 -68.202 1.00 0.00 C ATOM 64 CD LYS A 5 76.198 9.564 -68.441 1.00 0.00 C ATOM 65 CE LYS A 5 77.408 10.363 -67.958 1.00 0.00 C ATOM 66 NZ LYS A 5 77.492 10.351 -66.488 1.00 0.00 N ATOM 0 H LYS A 5 76.355 5.986 -72.000 1.00 0.00 H new ATOM 0 HA LYS A 5 75.420 5.920 -69.224 1.00 0.00 H new ATOM 0 HB2 LYS A 5 77.836 6.857 -69.312 1.00 0.00 H new ATOM 0 HB3 LYS A 5 77.172 8.194 -70.230 1.00 0.00 H new ATOM 0 HG2 LYS A 5 75.528 7.596 -67.860 1.00 0.00 H new ATOM 0 HG3 LYS A 5 77.187 7.942 -67.416 1.00 0.00 H new ATOM 0 HD2 LYS A 5 76.026 9.749 -69.501 1.00 0.00 H new ATOM 0 HD3 LYS A 5 75.301 9.885 -67.911 1.00 0.00 H new ATOM 0 HE2 LYS A 5 78.320 9.942 -68.382 1.00 0.00 H new ATOM 0 HE3 LYS A 5 77.336 11.391 -68.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 77.968 11.216 -66.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 76.534 10.310 -66.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 78.034 9.519 -66.178 1.00 0.00 H new ATOM 80 N LYS A 6 73.464 7.009 -70.274 1.00 0.00 N ATOM 81 CA LYS A 6 72.306 7.758 -70.724 1.00 0.00 C ATOM 82 C LYS A 6 72.029 7.453 -72.194 1.00 0.00 C ATOM 83 O LYS A 6 72.649 8.057 -73.069 1.00 0.00 O ATOM 84 CB LYS A 6 72.549 9.254 -70.525 1.00 0.00 C ATOM 85 CG LYS A 6 71.210 9.987 -70.553 1.00 0.00 C ATOM 86 CD LYS A 6 71.358 11.347 -69.878 1.00 0.00 C ATOM 87 CE LYS A 6 70.115 12.190 -70.158 1.00 0.00 C ATOM 88 NZ LYS A 6 70.175 13.470 -69.433 1.00 0.00 N ATOM 0 H LYS A 6 73.245 6.235 -69.646 1.00 0.00 H new ATOM 0 HA LYS A 6 71.436 7.463 -70.138 1.00 0.00 H new ATOM 0 HB2 LYS A 6 73.054 9.430 -69.575 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.203 9.636 -71.309 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.875 10.115 -71.582 1.00 0.00 H new ATOM 0 HG3 LYS A 6 70.450 9.397 -70.042 1.00 0.00 H new ATOM 0 HD2 LYS A 6 71.490 11.220 -68.804 1.00 0.00 H new ATOM 0 HD3 LYS A 6 72.247 11.855 -70.250 1.00 0.00 H new ATOM 0 HE2 LYS A 6 70.031 12.377 -71.229 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.223 11.640 -69.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 69.320 14.026 -69.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 70.232 13.288 -68.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 71.015 14.002 -69.737 1.00 0.00 H new ATOM 102 N ASP A 7 70.903 6.774 -72.452 1.00 0.00 N ATOM 103 CA ASP A 7 70.562 6.384 -73.809 1.00 0.00 C ATOM 104 C ASP A 7 71.707 5.584 -74.418 1.00 0.00 C ATOM 105 O ASP A 7 71.728 5.366 -75.628 1.00 0.00 O ATOM 106 CB ASP A 7 70.280 7.640 -74.636 1.00 0.00 C ATOM 107 CG ASP A 7 69.194 8.484 -73.982 1.00 0.00 C ATOM 108 OD1 ASP A 7 68.013 8.244 -74.315 1.00 0.00 O ATOM 109 OD2 ASP A 7 69.570 9.390 -73.208 1.00 0.00 O ATOM 0 H ASP A 7 70.227 6.491 -71.743 1.00 0.00 H new ATOM 0 HA ASP A 7 69.671 5.757 -73.802 1.00 0.00 H new ATOM 0 HB2 ASP A 7 71.193 8.227 -74.737 1.00 0.00 H new ATOM 0 HB3 ASP A 7 69.971 7.357 -75.642 1.00 0.00 H new ATOM 114 N GLU A 8 72.590 5.058 -73.565 1.00 0.00 N ATOM 115 CA GLU A 8 73.616 4.133 -74.018 1.00 0.00 C ATOM 116 C GLU A 8 73.187 2.703 -73.698 1.00 0.00 C ATOM 117 O GLU A 8 72.365 2.507 -72.801 1.00 0.00 O ATOM 118 CB GLU A 8 74.942 4.468 -73.341 1.00 0.00 C ATOM 119 CG GLU A 8 75.845 5.199 -74.333 1.00 0.00 C ATOM 120 CD GLU A 8 75.111 6.371 -74.973 1.00 0.00 C ATOM 121 OE1 GLU A 8 75.224 7.482 -74.412 1.00 0.00 O ATOM 122 OE2 GLU A 8 74.545 6.154 -76.066 1.00 0.00 O ATOM 0 H GLU A 8 72.610 5.259 -72.565 1.00 0.00 H new ATOM 0 HA GLU A 8 73.748 4.223 -75.096 1.00 0.00 H new ATOM 0 HB2 GLU A 8 74.768 5.090 -72.463 1.00 0.00 H new ATOM 0 HB3 GLU A 8 75.427 3.556 -72.994 1.00 0.00 H new ATOM 0 HG2 GLU A 8 76.738 5.559 -73.822 1.00 0.00 H new ATOM 0 HG3 GLU A 8 76.178 4.507 -75.106 1.00 0.00 H new ATOM 129 N LEU A 9 73.513 1.771 -74.600 1.00 0.00 N ATOM 130 CA LEU A 9 72.946 0.434 -74.544 1.00 0.00 C ATOM 131 C LEU A 9 73.407 -0.271 -73.272 1.00 0.00 C ATOM 132 O LEU A 9 74.601 -0.274 -72.975 1.00 0.00 O ATOM 133 CB LEU A 9 73.368 -0.356 -75.781 1.00 0.00 C ATOM 134 CG LEU A 9 72.886 0.367 -77.035 1.00 0.00 C ATOM 135 CD1 LEU A 9 74.072 1.037 -77.724 1.00 0.00 C ATOM 136 CD2 LEU A 9 72.248 -0.639 -77.989 1.00 0.00 C ATOM 0 H LEU A 9 74.164 1.924 -75.371 1.00 0.00 H new ATOM 0 HA LEU A 9 71.858 0.501 -74.527 1.00 0.00 H new ATOM 0 HB2 LEU A 9 74.452 -0.464 -75.804 1.00 0.00 H new ATOM 0 HB3 LEU A 9 72.949 -1.361 -75.744 1.00 0.00 H new ATOM 0 HG LEU A 9 72.151 1.123 -76.758 1.00 0.00 H new ATOM 0 HD11 LEU A 9 73.728 1.554 -78.620 1.00 0.00 H new ATOM 0 HD12 LEU A 9 74.529 1.756 -77.044 1.00 0.00 H new ATOM 0 HD13 LEU A 9 74.807 0.281 -78.001 1.00 0.00 H new ATOM 0 HD21 LEU A 9 71.903 -0.123 -78.885 1.00 0.00 H new ATOM 0 HD22 LEU A 9 72.983 -1.395 -78.266 1.00 0.00 H new ATOM 0 HD23 LEU A 9 71.401 -1.119 -77.499 1.00 0.00 H new ATOM 148 N CYS A 10 72.511 -1.067 -72.679 1.00 0.00 N ATOM 149 CA CYS A 10 72.880 -1.951 -71.589 1.00 0.00 C ATOM 150 C CYS A 10 73.782 -3.062 -72.114 1.00 0.00 C ATOM 151 O CYS A 10 73.444 -3.704 -73.109 1.00 0.00 O ATOM 152 CB CYS A 10 71.613 -2.542 -70.965 1.00 0.00 C ATOM 153 SG CYS A 10 71.036 -4.061 -71.776 1.00 0.00 S ATOM 0 H CYS A 10 71.526 -1.111 -72.942 1.00 0.00 H new ATOM 0 HA CYS A 10 73.423 -1.391 -70.827 1.00 0.00 H new ATOM 0 HB2 CYS A 10 71.802 -2.753 -69.912 1.00 0.00 H new ATOM 0 HB3 CYS A 10 70.819 -1.797 -71.003 1.00 0.00 H new ATOM 0 HG CYS A 10 71.947 -4.486 -72.600 1.00 0.00 H new ATOM 158 N ILE A 11 74.778 -3.446 -71.312 1.00 0.00 N ATOM 159 CA ILE A 11 75.610 -4.595 -71.623 1.00 0.00 C ATOM 160 C ILE A 11 76.117 -5.226 -70.331 1.00 0.00 C ATOM 161 O ILE A 11 77.307 -5.130 -70.030 1.00 0.00 O ATOM 162 CB ILE A 11 76.773 -4.154 -72.507 1.00 0.00 C ATOM 163 CG1 ILE A 11 76.257 -3.260 -73.629 1.00 0.00 C ATOM 164 CG2 ILE A 11 77.465 -5.378 -73.097 1.00 0.00 C ATOM 165 CD1 ILE A 11 77.423 -2.836 -74.519 1.00 0.00 C ATOM 0 H ILE A 11 75.023 -2.972 -70.442 1.00 0.00 H new ATOM 0 HA ILE A 11 75.026 -5.341 -72.163 1.00 0.00 H new ATOM 0 HB ILE A 11 77.489 -3.594 -71.905 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.511 -3.792 -74.218 1.00 0.00 H new ATOM 0 HG13 ILE A 11 75.766 -2.381 -73.211 1.00 0.00 H new ATOM 0 HG21 ILE A 11 78.295 -5.058 -73.727 1.00 0.00 H new ATOM 0 HG22 ILE A 11 77.843 -6.006 -72.291 1.00 0.00 H new ATOM 0 HG23 ILE A 11 76.752 -5.946 -73.695 1.00 0.00 H new ATOM 0 HD11 ILE A 11 77.055 -2.197 -75.321 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.154 -2.287 -73.925 1.00 0.00 H new ATOM 0 HD13 ILE A 11 77.894 -3.721 -74.947 1.00 0.00 H new ATOM 177 N PRO A 12 75.286 -6.062 -69.704 1.00 0.00 N ATOM 178 CA PRO A 12 75.610 -6.540 -68.349 1.00 0.00 C ATOM 179 C PRO A 12 76.471 -7.783 -68.431 1.00 0.00 C ATOM 180 O PRO A 12 75.958 -8.901 -68.388 1.00 0.00 O ATOM 181 CB PRO A 12 74.268 -6.823 -67.655 1.00 0.00 C ATOM 182 CG PRO A 12 73.156 -6.497 -68.665 1.00 0.00 C ATOM 183 CD PRO A 12 73.839 -6.015 -69.953 1.00 0.00 C ATOM 0 HA PRO A 12 76.179 -5.802 -67.783 1.00 0.00 H new ATOM 0 HB2 PRO A 12 74.209 -7.865 -67.341 1.00 0.00 H new ATOM 0 HB3 PRO A 12 74.163 -6.214 -66.757 1.00 0.00 H new ATOM 0 HG2 PRO A 12 72.544 -7.377 -68.861 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.492 -5.728 -68.271 1.00 0.00 H new ATOM 0 HD2 PRO A 12 73.570 -6.652 -70.796 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.522 -5.003 -70.204 1.00 0.00 H new ATOM 191 N TYR A 13 77.793 -7.599 -68.485 1.00 0.00 N ATOM 192 CA TYR A 13 78.722 -8.713 -68.479 1.00 0.00 C ATOM 193 C TYR A 13 80.155 -8.197 -68.487 1.00 0.00 C ATOM 194 O TYR A 13 80.889 -8.380 -67.519 1.00 0.00 O ATOM 195 CB TYR A 13 78.460 -9.594 -69.706 1.00 0.00 C ATOM 196 CG TYR A 13 78.931 -11.020 -69.524 1.00 0.00 C ATOM 197 CD1 TYR A 13 79.941 -11.310 -68.598 1.00 0.00 C ATOM 198 CD2 TYR A 13 78.355 -12.048 -70.281 1.00 0.00 C ATOM 199 CE1 TYR A 13 80.376 -12.631 -68.430 1.00 0.00 C ATOM 200 CE2 TYR A 13 78.791 -13.368 -70.113 1.00 0.00 C ATOM 201 CZ TYR A 13 79.801 -13.660 -69.187 1.00 0.00 C ATOM 202 OH TYR A 13 80.225 -14.946 -69.023 1.00 0.00 O ATOM 0 H TYR A 13 78.237 -6.682 -68.533 1.00 0.00 H new ATOM 0 HA TYR A 13 78.578 -9.306 -67.576 1.00 0.00 H new ATOM 0 HB2 TYR A 13 77.392 -9.595 -69.923 1.00 0.00 H new ATOM 0 HB3 TYR A 13 78.961 -9.160 -70.571 1.00 0.00 H new ATOM 0 HD1 TYR A 13 80.384 -10.516 -68.014 1.00 0.00 H new ATOM 0 HD2 TYR A 13 77.575 -11.823 -70.994 1.00 0.00 H new ATOM 0 HE1 TYR A 13 81.155 -12.856 -67.717 1.00 0.00 H new ATOM 0 HE2 TYR A 13 78.349 -14.161 -70.697 1.00 0.00 H new ATOM 0 HH TYR A 13 79.722 -15.535 -69.623 1.00 0.00 H new ATOM 212 N TYR A 14 80.545 -7.538 -69.581 1.00 0.00 N ATOM 213 CA TYR A 14 81.895 -7.027 -69.724 1.00 0.00 C ATOM 214 C TYR A 14 81.908 -5.522 -69.493 1.00 0.00 C ATOM 215 O TYR A 14 82.969 -4.934 -69.292 1.00 0.00 O ATOM 216 CB TYR A 14 82.413 -7.362 -71.127 1.00 0.00 C ATOM 217 CG TYR A 14 83.828 -6.886 -71.368 1.00 0.00 C ATOM 218 CD1 TYR A 14 84.910 -7.640 -70.896 1.00 0.00 C ATOM 219 CD2 TYR A 14 84.056 -5.691 -72.062 1.00 0.00 C ATOM 220 CE1 TYR A 14 86.221 -7.199 -71.119 1.00 0.00 C ATOM 221 CE2 TYR A 14 85.367 -5.250 -72.285 1.00 0.00 C ATOM 222 CZ TYR A 14 86.449 -6.004 -71.813 1.00 0.00 C ATOM 223 OH TYR A 14 87.725 -5.575 -72.030 1.00 0.00 O ATOM 0 H TYR A 14 79.937 -7.349 -70.378 1.00 0.00 H new ATOM 0 HA TYR A 14 82.546 -7.492 -68.983 1.00 0.00 H new ATOM 0 HB2 TYR A 14 82.369 -8.441 -71.276 1.00 0.00 H new ATOM 0 HB3 TYR A 14 81.753 -6.911 -71.868 1.00 0.00 H new ATOM 0 HD1 TYR A 14 84.734 -8.561 -70.360 1.00 0.00 H new ATOM 0 HD2 TYR A 14 83.221 -5.110 -72.425 1.00 0.00 H new ATOM 0 HE1 TYR A 14 87.056 -7.780 -70.756 1.00 0.00 H new ATOM 0 HE2 TYR A 14 85.543 -4.329 -72.821 1.00 0.00 H new ATOM 0 HH TYR A 14 87.706 -4.730 -72.527 1.00 0.00 H new ATOM 233 N LEU A 15 80.739 -4.888 -69.619 1.00 0.00 N ATOM 234 CA LEU A 15 80.644 -3.440 -69.551 1.00 0.00 C ATOM 235 C LEU A 15 79.613 -3.043 -68.500 1.00 0.00 C ATOM 236 O LEU A 15 78.449 -3.424 -68.605 1.00 0.00 O ATOM 237 CB LEU A 15 80.251 -2.897 -70.924 1.00 0.00 C ATOM 238 CG LEU A 15 80.893 -1.528 -71.131 1.00 0.00 C ATOM 239 CD1 LEU A 15 80.403 -0.567 -70.051 1.00 0.00 C ATOM 240 CD2 LEU A 15 82.411 -1.659 -71.045 1.00 0.00 C ATOM 0 H LEU A 15 79.848 -5.362 -69.769 1.00 0.00 H new ATOM 0 HA LEU A 15 81.607 -3.017 -69.267 1.00 0.00 H new ATOM 0 HB2 LEU A 15 80.575 -3.585 -71.705 1.00 0.00 H new ATOM 0 HB3 LEU A 15 79.166 -2.817 -70.999 1.00 0.00 H new ATOM 0 HG LEU A 15 80.617 -1.143 -72.112 1.00 0.00 H new ATOM 0 HD11 LEU A 15 80.862 0.411 -70.199 1.00 0.00 H new ATOM 0 HD12 LEU A 15 79.319 -0.472 -70.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 80.678 -0.952 -69.069 1.00 0.00 H new ATOM 0 HD21 LEU A 15 82.870 -0.681 -71.193 1.00 0.00 H new ATOM 0 HD22 LEU A 15 82.688 -2.045 -70.064 1.00 0.00 H new ATOM 0 HD23 LEU A 15 82.761 -2.344 -71.817 1.00 0.00 H new ATOM 252 N ASP A 16 79.999 -2.132 -67.603 1.00 0.00 N ATOM 253 CA ASP A 16 79.070 -1.557 -66.648 1.00 0.00 C ATOM 254 C ASP A 16 78.996 -0.048 -66.850 1.00 0.00 C ATOM 255 O ASP A 16 80.029 0.614 -66.934 1.00 0.00 O ATOM 256 CB ASP A 16 79.537 -1.889 -65.229 1.00 0.00 C ATOM 257 CG ASP A 16 80.772 -1.077 -64.863 1.00 0.00 C ATOM 258 OD1 ASP A 16 81.682 -1.014 -65.717 1.00 0.00 O ATOM 259 OD2 ASP A 16 80.766 -0.505 -63.751 1.00 0.00 O ATOM 0 H ASP A 16 80.953 -1.781 -67.524 1.00 0.00 H new ATOM 0 HA ASP A 16 78.075 -1.975 -66.800 1.00 0.00 H new ATOM 0 HB2 ASP A 16 78.736 -1.681 -64.520 1.00 0.00 H new ATOM 0 HB3 ASP A 16 79.761 -2.953 -65.154 1.00 0.00 H new ATOM 264 N CYS A 17 77.785 0.464 -67.085 1.00 0.00 N ATOM 265 CA CYS A 17 77.600 1.863 -67.425 1.00 0.00 C ATOM 266 C CYS A 17 78.399 2.738 -66.468 1.00 0.00 C ATOM 267 O CYS A 17 78.779 2.290 -65.389 1.00 0.00 O ATOM 268 CB CYS A 17 76.108 2.204 -67.354 1.00 0.00 C ATOM 269 SG CYS A 17 75.769 3.933 -66.917 1.00 0.00 S ATOM 0 H CYS A 17 76.921 -0.077 -67.044 1.00 0.00 H new ATOM 0 HA CYS A 17 77.958 2.049 -68.437 1.00 0.00 H new ATOM 0 HB2 CYS A 17 75.649 1.987 -68.319 1.00 0.00 H new ATOM 0 HB3 CYS A 17 75.631 1.554 -66.621 1.00 0.00 H new ATOM 0 HG CYS A 17 75.578 4.027 -65.635 1.00 0.00 H new ATOM 274 N CYS A 18 78.601 4.003 -66.844 1.00 0.00 N ATOM 275 CA CYS A 18 79.237 4.965 -65.962 1.00 0.00 C ATOM 276 C CYS A 18 78.182 5.659 -65.111 1.00 0.00 C ATOM 277 O CYS A 18 77.205 6.184 -65.642 1.00 0.00 O ATOM 278 CB CYS A 18 80.009 5.987 -66.804 1.00 0.00 C ATOM 279 SG CYS A 18 81.522 5.321 -67.557 1.00 0.00 S ATOM 0 H CYS A 18 78.331 4.378 -67.753 1.00 0.00 H new ATOM 0 HA CYS A 18 79.934 4.454 -65.298 1.00 0.00 H new ATOM 0 HB2 CYS A 18 79.356 6.362 -67.592 1.00 0.00 H new ATOM 0 HB3 CYS A 18 80.271 6.838 -66.176 1.00 0.00 H new ATOM 0 HG CYS A 18 81.509 5.555 -68.836 1.00 0.00 H new ATOM 284 N GLU A 19 78.315 5.548 -63.787 1.00 0.00 N ATOM 285 CA GLU A 19 77.331 6.094 -62.871 1.00 0.00 C ATOM 286 C GLU A 19 77.041 7.546 -63.233 1.00 0.00 C ATOM 287 O GLU A 19 77.940 8.252 -63.686 1.00 0.00 O ATOM 288 CB GLU A 19 77.860 5.990 -61.441 1.00 0.00 C ATOM 289 CG GLU A 19 77.243 4.773 -60.756 1.00 0.00 C ATOM 290 CD GLU A 19 76.547 5.174 -59.461 1.00 0.00 C ATOM 291 OE1 GLU A 19 77.196 5.894 -58.671 1.00 0.00 O ATOM 292 OE2 GLU A 19 75.356 4.821 -59.324 1.00 0.00 O ATOM 0 H GLU A 19 79.100 5.082 -63.332 1.00 0.00 H new ATOM 0 HA GLU A 19 76.402 5.528 -62.946 1.00 0.00 H new ATOM 0 HB2 GLU A 19 78.947 5.904 -61.449 1.00 0.00 H new ATOM 0 HB3 GLU A 19 77.617 6.896 -60.885 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.527 4.297 -61.426 1.00 0.00 H new ATOM 0 HG3 GLU A 19 78.019 4.037 -60.544 1.00 0.00 H new ATOM 299 N PRO A 20 75.804 7.995 -63.010 1.00 0.00 N ATOM 300 CA PRO A 20 74.875 7.245 -62.149 1.00 0.00 C ATOM 301 C PRO A 20 74.048 6.293 -62.990 1.00 0.00 C ATOM 302 O PRO A 20 73.402 5.393 -62.452 1.00 0.00 O ATOM 303 CB PRO A 20 73.991 8.289 -61.448 1.00 0.00 C ATOM 304 CG PRO A 20 74.396 9.667 -61.993 1.00 0.00 C ATOM 305 CD PRO A 20 75.536 9.443 -62.996 1.00 0.00 C ATOM 0 HA PRO A 20 75.403 6.640 -61.412 1.00 0.00 H new ATOM 0 HB2 PRO A 20 72.937 8.093 -61.643 1.00 0.00 H new ATOM 0 HB3 PRO A 20 74.129 8.247 -60.368 1.00 0.00 H new ATOM 0 HG2 PRO A 20 73.549 10.153 -62.476 1.00 0.00 H new ATOM 0 HG3 PRO A 20 74.719 10.321 -61.183 1.00 0.00 H new ATOM 0 HD2 PRO A 20 75.254 9.795 -63.988 1.00 0.00 H new ATOM 0 HD3 PRO A 20 76.426 9.999 -62.702 1.00 0.00 H new ATOM 313 N LEU A 21 73.926 6.590 -64.289 1.00 0.00 N ATOM 314 CA LEU A 21 73.017 5.864 -65.157 1.00 0.00 C ATOM 315 C LEU A 21 73.305 4.368 -65.073 1.00 0.00 C ATOM 316 O LEU A 21 74.355 3.980 -64.559 1.00 0.00 O ATOM 317 CB LEU A 21 73.171 6.371 -66.589 1.00 0.00 C ATOM 318 CG LEU A 21 72.380 7.665 -66.755 1.00 0.00 C ATOM 319 CD1 LEU A 21 73.307 8.767 -67.261 1.00 0.00 C ATOM 320 CD2 LEU A 21 71.251 7.449 -67.759 1.00 0.00 C ATOM 0 H LEU A 21 74.450 7.331 -64.755 1.00 0.00 H new ATOM 0 HA LEU A 21 71.988 6.031 -64.837 1.00 0.00 H new ATOM 0 HB2 LEU A 21 74.223 6.543 -66.814 1.00 0.00 H new ATOM 0 HB3 LEU A 21 72.813 5.620 -67.293 1.00 0.00 H new ATOM 0 HG LEU A 21 71.958 7.957 -65.793 1.00 0.00 H new ATOM 0 HD11 LEU A 21 72.742 9.692 -67.380 1.00 0.00 H new ATOM 0 HD12 LEU A 21 74.112 8.923 -66.543 1.00 0.00 H new ATOM 0 HD13 LEU A 21 73.730 8.474 -68.222 1.00 0.00 H new ATOM 0 HD21 LEU A 21 70.687 8.374 -67.877 1.00 0.00 H new ATOM 0 HD22 LEU A 21 71.671 7.155 -68.721 1.00 0.00 H new ATOM 0 HD23 LEU A 21 70.588 6.663 -67.397 1.00 0.00 H new ATOM 332 N GLU A 22 72.273 3.553 -65.313 1.00 0.00 N ATOM 333 CA GLU A 22 72.347 2.129 -65.035 1.00 0.00 C ATOM 334 C GLU A 22 72.466 1.355 -66.344 1.00 0.00 C ATOM 335 O GLU A 22 73.142 1.810 -67.266 1.00 0.00 O ATOM 336 CB GLU A 22 71.100 1.700 -64.264 1.00 0.00 C ATOM 337 CG GLU A 22 70.882 2.644 -63.083 1.00 0.00 C ATOM 338 CD GLU A 22 71.778 2.261 -61.911 1.00 0.00 C ATOM 339 OE1 GLU A 22 72.114 1.060 -61.829 1.00 0.00 O ATOM 340 OE2 GLU A 22 71.956 3.133 -61.032 1.00 0.00 O ATOM 0 H GLU A 22 71.381 3.862 -65.699 1.00 0.00 H new ATOM 0 HA GLU A 22 73.227 1.915 -64.428 1.00 0.00 H new ATOM 0 HB2 GLU A 22 70.230 1.715 -64.921 1.00 0.00 H new ATOM 0 HB3 GLU A 22 71.213 0.676 -63.909 1.00 0.00 H new ATOM 0 HG2 GLU A 22 71.092 3.669 -63.388 1.00 0.00 H new ATOM 0 HG3 GLU A 22 69.837 2.611 -62.774 1.00 0.00 H new ATOM 347 N CYS A 23 71.969 0.116 -66.350 1.00 0.00 N ATOM 348 CA CYS A 23 72.192 -0.788 -67.465 1.00 0.00 C ATOM 349 C CYS A 23 71.315 -2.023 -67.309 1.00 0.00 C ATOM 350 O CYS A 23 71.411 -2.727 -66.306 1.00 0.00 O ATOM 351 CB CYS A 23 73.674 -1.174 -67.504 1.00 0.00 C ATOM 352 SG CYS A 23 73.986 -2.843 -68.149 1.00 0.00 S ATOM 0 H CYS A 23 71.411 -0.278 -65.593 1.00 0.00 H new ATOM 0 HA CYS A 23 71.928 -0.299 -68.403 1.00 0.00 H new ATOM 0 HB2 CYS A 23 74.211 -0.452 -68.119 1.00 0.00 H new ATOM 0 HB3 CYS A 23 74.084 -1.102 -66.497 1.00 0.00 H new ATOM 0 HG CYS A 23 75.242 -2.959 -68.464 1.00 0.00 H new ATOM 357 N LYS A 24 70.378 -2.213 -68.242 1.00 0.00 N ATOM 358 CA LYS A 24 69.433 -3.311 -68.162 1.00 0.00 C ATOM 359 C LYS A 24 68.498 -3.277 -69.365 1.00 0.00 C ATOM 360 O LYS A 24 68.916 -2.906 -70.460 1.00 0.00 O ATOM 361 CB LYS A 24 68.643 -3.205 -66.858 1.00 0.00 C ATOM 362 CG LYS A 24 68.540 -4.584 -66.214 1.00 0.00 C ATOM 363 CD LYS A 24 67.143 -4.772 -65.629 1.00 0.00 C ATOM 364 CE LYS A 24 67.203 -5.790 -64.491 1.00 0.00 C ATOM 365 NZ LYS A 24 67.762 -7.069 -64.960 1.00 0.00 N ATOM 0 H LYS A 24 70.260 -1.615 -69.060 1.00 0.00 H new ATOM 0 HA LYS A 24 69.969 -4.260 -68.172 1.00 0.00 H new ATOM 0 HB2 LYS A 24 69.135 -2.510 -66.178 1.00 0.00 H new ATOM 0 HB3 LYS A 24 67.647 -2.808 -67.055 1.00 0.00 H new ATOM 0 HG2 LYS A 24 68.743 -5.358 -66.954 1.00 0.00 H new ATOM 0 HG3 LYS A 24 69.291 -4.688 -65.430 1.00 0.00 H new ATOM 0 HD2 LYS A 24 66.760 -3.820 -65.261 1.00 0.00 H new ATOM 0 HD3 LYS A 24 66.456 -5.115 -66.403 1.00 0.00 H new ATOM 0 HE2 LYS A 24 67.814 -5.397 -63.678 1.00 0.00 H new ATOM 0 HE3 LYS A 24 66.203 -5.951 -64.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 67.519 -7.822 -64.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 67.366 -7.300 -65.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 68.796 -6.990 -65.033 1.00 0.00 H new ATOM 379 N LYS A 25 67.278 -3.790 -69.188 1.00 0.00 N ATOM 380 CA LYS A 25 66.348 -3.939 -70.292 1.00 0.00 C ATOM 381 C LYS A 25 65.305 -2.826 -70.238 1.00 0.00 C ATOM 382 O LYS A 25 64.422 -2.862 -69.381 1.00 0.00 O ATOM 383 CB LYS A 25 65.678 -5.310 -70.206 1.00 0.00 C ATOM 384 CG LYS A 25 66.705 -6.396 -70.513 1.00 0.00 C ATOM 385 CD LYS A 25 66.146 -7.755 -70.101 1.00 0.00 C ATOM 386 CE LYS A 25 65.944 -8.620 -71.344 1.00 0.00 C ATOM 387 NZ LYS A 25 64.740 -9.457 -71.211 1.00 0.00 N ATOM 0 H LYS A 25 66.918 -4.107 -68.288 1.00 0.00 H new ATOM 0 HA LYS A 25 66.882 -3.867 -71.239 1.00 0.00 H new ATOM 0 HB2 LYS A 25 65.259 -5.461 -69.211 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.850 -5.367 -70.912 1.00 0.00 H new ATOM 0 HG2 LYS A 25 66.943 -6.396 -71.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 67.633 -6.195 -69.978 1.00 0.00 H new ATOM 0 HD2 LYS A 25 66.830 -8.247 -69.409 1.00 0.00 H new ATOM 0 HD3 LYS A 25 65.199 -7.627 -69.576 1.00 0.00 H new ATOM 0 HE2 LYS A 25 65.854 -7.984 -72.224 1.00 0.00 H new ATOM 0 HE3 LYS A 25 66.817 -9.254 -71.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 64.537 -9.920 -72.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 64.899 -10.181 -70.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 63.932 -8.862 -70.937 1.00 0.00 H new ATOM 401 N VAL A 26 65.278 -1.983 -71.275 1.00 0.00 N ATOM 402 CA VAL A 26 64.194 -1.030 -71.450 1.00 0.00 C ATOM 403 C VAL A 26 62.997 -1.741 -72.081 1.00 0.00 C ATOM 404 O VAL A 26 61.868 -1.544 -71.627 1.00 0.00 O ATOM 405 CB VAL A 26 64.667 0.124 -72.327 1.00 0.00 C ATOM 406 CG1 VAL A 26 64.858 -0.368 -73.759 1.00 0.00 C ATOM 407 CG2 VAL A 26 63.625 1.240 -72.307 1.00 0.00 C ATOM 0 H VAL A 26 65.995 -1.946 -72.000 1.00 0.00 H new ATOM 0 HA VAL A 26 63.891 -0.625 -70.484 1.00 0.00 H new ATOM 0 HB VAL A 26 65.614 0.504 -71.945 1.00 0.00 H new ATOM 0 HG11 VAL A 26 65.196 0.458 -74.385 1.00 0.00 H new ATOM 0 HG12 VAL A 26 65.603 -1.164 -73.774 1.00 0.00 H new ATOM 0 HG13 VAL A 26 63.912 -0.750 -74.142 1.00 0.00 H new ATOM 0 HG21 VAL A 26 63.963 2.065 -72.934 1.00 0.00 H new ATOM 0 HG22 VAL A 26 62.677 0.860 -72.688 1.00 0.00 H new ATOM 0 HG23 VAL A 26 63.490 1.593 -71.285 1.00 0.00 H new ATOM 417 N ASN A 27 63.286 -2.770 -72.886 1.00 0.00 N ATOM 418 CA ASN A 27 62.261 -3.717 -73.302 1.00 0.00 C ATOM 419 C ASN A 27 62.856 -5.121 -73.358 1.00 0.00 C ATOM 420 O ASN A 27 64.044 -5.298 -73.085 1.00 0.00 O ATOM 421 CB ASN A 27 61.707 -3.302 -74.663 1.00 0.00 C ATOM 422 CG ASN A 27 60.202 -3.071 -74.593 1.00 0.00 C ATOM 423 OD1 ASN A 27 59.758 -1.951 -74.348 1.00 0.00 O ATOM 424 ND2 ASN A 27 59.424 -4.103 -74.928 1.00 0.00 N ATOM 0 H ASN A 27 64.216 -2.962 -73.257 1.00 0.00 H new ATOM 0 HA ASN A 27 61.442 -3.719 -72.582 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.203 -2.391 -74.999 1.00 0.00 H new ATOM 0 HB3 ASN A 27 61.926 -4.075 -75.400 1.00 0.00 H new ATOM 0 HD21 ASN A 27 58.413 -3.981 -74.990 1.00 0.00 H new ATOM 0 HD22 ASN A 27 59.840 -5.014 -75.122 1.00 0.00 H new ATOM 431 N TRP A 28 61.986 -6.129 -73.488 1.00 0.00 N ATOM 432 CA TRP A 28 62.404 -7.511 -73.331 1.00 0.00 C ATOM 433 C TRP A 28 63.122 -7.991 -74.587 1.00 0.00 C ATOM 434 O TRP A 28 64.043 -8.803 -74.482 1.00 0.00 O ATOM 435 CB TRP A 28 61.181 -8.385 -73.036 1.00 0.00 C ATOM 436 CG TRP A 28 60.900 -8.583 -71.576 1.00 0.00 C ATOM 437 CD1 TRP A 28 60.120 -9.545 -71.053 1.00 0.00 C ATOM 438 CD2 TRP A 28 61.395 -7.803 -70.442 1.00 0.00 C ATOM 439 NE1 TRP A 28 60.261 -9.548 -69.679 1.00 0.00 N ATOM 440 CE2 TRP A 28 61.002 -8.464 -69.247 1.00 0.00 C ATOM 441 CE3 TRP A 28 62.153 -6.631 -70.302 1.00 0.00 C ATOM 442 CZ2 TRP A 28 61.340 -7.973 -67.979 1.00 0.00 C ATOM 443 CZ3 TRP A 28 62.505 -6.132 -69.041 1.00 0.00 C ATOM 444 CH2 TRP A 28 62.095 -6.797 -67.876 1.00 0.00 C ATOM 0 H TRP A 28 60.996 -6.007 -73.700 1.00 0.00 H new ATOM 0 HA TRP A 28 63.099 -7.586 -72.495 1.00 0.00 H new ATOM 0 HB2 TRP A 28 60.306 -7.934 -73.504 1.00 0.00 H new ATOM 0 HB3 TRP A 28 61.325 -9.360 -73.502 1.00 0.00 H new ATOM 0 HD1 TRP A 28 59.484 -10.210 -71.618 1.00 0.00 H new ATOM 0 HE1 TRP A 28 59.869 -10.259 -69.062 1.00 0.00 H new ATOM 0 HE3 TRP A 28 62.473 -6.101 -71.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 61.022 -8.496 -67.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 63.095 -5.231 -68.966 1.00 0.00 H new ATOM 0 HH2 TRP A 28 62.360 -6.405 -66.905 1.00 0.00 H new ATOM 455 N TRP A 29 62.889 -7.303 -75.708 1.00 0.00 N ATOM 456 CA TRP A 29 63.680 -7.514 -76.907 1.00 0.00 C ATOM 457 C TRP A 29 64.583 -6.312 -77.146 1.00 0.00 C ATOM 458 O TRP A 29 65.010 -6.072 -78.273 1.00 0.00 O ATOM 459 CB TRP A 29 62.739 -7.732 -78.099 1.00 0.00 C ATOM 460 CG TRP A 29 62.437 -9.172 -78.388 1.00 0.00 C ATOM 461 CD1 TRP A 29 62.490 -10.176 -77.494 1.00 0.00 C ATOM 462 CD2 TRP A 29 62.036 -9.781 -79.655 1.00 0.00 C ATOM 463 NE1 TRP A 29 62.358 -11.381 -78.155 1.00 0.00 N ATOM 464 CE2 TRP A 29 62.031 -11.192 -79.485 1.00 0.00 C ATOM 465 CE3 TRP A 29 61.707 -9.292 -80.929 1.00 0.00 C ATOM 466 CZ2 TRP A 29 61.704 -12.067 -80.529 1.00 0.00 C ATOM 467 CZ3 TRP A 29 61.385 -10.155 -81.984 1.00 0.00 C ATOM 468 CH2 TRP A 29 61.376 -11.544 -81.788 1.00 0.00 C ATOM 0 H TRP A 29 62.158 -6.598 -75.803 1.00 0.00 H new ATOM 0 HA TRP A 29 64.309 -8.396 -76.787 1.00 0.00 H new ATOM 0 HB2 TRP A 29 61.803 -7.207 -77.909 1.00 0.00 H new ATOM 0 HB3 TRP A 29 63.184 -7.280 -78.986 1.00 0.00 H new ATOM 0 HD1 TRP A 29 62.616 -10.058 -76.428 1.00 0.00 H new ATOM 0 HE1 TRP A 29 62.485 -12.294 -77.718 1.00 0.00 H new ATOM 0 HE3 TRP A 29 61.702 -8.226 -81.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 61.705 -13.135 -80.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 61.142 -9.749 -82.955 1.00 0.00 H new ATOM 0 HH2 TRP A 29 61.118 -12.206 -82.601 1.00 0.00 H new ATOM 479 N ASP A 30 64.939 -5.608 -76.066 1.00 0.00 N ATOM 480 CA ASP A 30 65.714 -4.385 -76.191 1.00 0.00 C ATOM 481 C ASP A 30 66.781 -4.327 -75.103 1.00 0.00 C ATOM 482 O ASP A 30 66.518 -4.724 -73.967 1.00 0.00 O ATOM 483 CB ASP A 30 64.777 -3.181 -76.092 1.00 0.00 C ATOM 484 CG ASP A 30 64.198 -2.834 -77.458 1.00 0.00 C ATOM 485 OD1 ASP A 30 64.978 -2.322 -78.290 1.00 0.00 O ATOM 486 OD2 ASP A 30 62.976 -3.035 -77.623 1.00 0.00 O ATOM 0 H ASP A 30 64.702 -5.867 -75.108 1.00 0.00 H new ATOM 0 HA ASP A 30 66.214 -4.367 -77.159 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.969 -3.400 -75.394 1.00 0.00 H new ATOM 0 HB3 ASP A 30 65.319 -2.324 -75.693 1.00 0.00 H new ATOM 491 N HIS A 31 67.872 -3.610 -75.384 1.00 0.00 N ATOM 492 CA HIS A 31 68.860 -3.290 -74.368 1.00 0.00 C ATOM 493 C HIS A 31 69.095 -1.784 -74.344 1.00 0.00 C ATOM 494 O HIS A 31 68.873 -1.114 -75.352 1.00 0.00 O ATOM 495 CB HIS A 31 70.160 -4.035 -74.675 1.00 0.00 C ATOM 496 CG HIS A 31 70.126 -5.471 -74.217 1.00 0.00 C ATOM 497 ND1 HIS A 31 71.146 -6.360 -74.516 1.00 0.00 N ATOM 498 CD2 HIS A 31 69.315 -6.123 -73.316 1.00 0.00 C ATOM 499 CE1 HIS A 31 71.025 -7.405 -73.681 1.00 0.00 C ATOM 500 NE2 HIS A 31 69.873 -7.365 -73.006 1.00 0.00 N ATOM 0 H HIS A 31 68.088 -3.242 -76.311 1.00 0.00 H new ATOM 0 HA HIS A 31 68.501 -3.601 -73.387 1.00 0.00 H new ATOM 0 HB2 HIS A 31 70.348 -4.004 -75.748 1.00 0.00 H new ATOM 0 HB3 HIS A 31 70.991 -3.522 -74.191 1.00 0.00 H new ATOM 0 HD2 HIS A 31 68.392 -5.735 -72.912 1.00 0.00 H new ATOM 0 HE1 HIS A 31 71.767 -8.182 -73.569 1.00 0.00 H new ATOM 0 HE2 HIS A 31 69.485 -8.085 -72.397 1.00 0.00 H new ATOM 508 N LYS A 32 69.322 -1.237 -73.147 1.00 0.00 N ATOM 509 CA LYS A 32 69.401 0.201 -72.968 1.00 0.00 C ATOM 510 C LYS A 32 69.699 0.527 -71.507 1.00 0.00 C ATOM 511 O LYS A 32 69.319 -0.235 -70.619 1.00 0.00 O ATOM 512 CB LYS A 32 68.081 0.837 -73.401 1.00 0.00 C ATOM 513 CG LYS A 32 68.356 2.204 -74.021 1.00 0.00 C ATOM 514 CD LYS A 32 69.258 2.038 -75.240 1.00 0.00 C ATOM 515 CE LYS A 32 68.915 3.107 -76.275 1.00 0.00 C ATOM 516 NZ LYS A 32 69.717 2.930 -77.498 1.00 0.00 N ATOM 0 H LYS A 32 69.453 -1.776 -72.291 1.00 0.00 H new ATOM 0 HA LYS A 32 70.207 0.603 -73.582 1.00 0.00 H new ATOM 0 HB2 LYS A 32 67.574 0.194 -74.121 1.00 0.00 H new ATOM 0 HB3 LYS A 32 67.416 0.941 -72.543 1.00 0.00 H new ATOM 0 HG2 LYS A 32 67.419 2.679 -74.311 1.00 0.00 H new ATOM 0 HG3 LYS A 32 68.832 2.858 -73.290 1.00 0.00 H new ATOM 0 HD2 LYS A 32 70.304 2.123 -74.946 1.00 0.00 H new ATOM 0 HD3 LYS A 32 69.128 1.045 -75.670 1.00 0.00 H new ATOM 0 HE2 LYS A 32 67.854 3.055 -76.520 1.00 0.00 H new ATOM 0 HE3 LYS A 32 69.097 4.097 -75.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 69.467 3.668 -78.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 70.728 3.003 -77.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 69.523 1.994 -77.908 1.00 0.00 H new ATOM 530 N CYS A 33 70.155 1.758 -71.259 1.00 0.00 N ATOM 531 CA CYS A 33 70.317 2.254 -69.905 1.00 0.00 C ATOM 532 C CYS A 33 68.951 2.503 -69.276 1.00 0.00 C ATOM 533 O CYS A 33 67.925 2.277 -69.915 1.00 0.00 O ATOM 534 CB CYS A 33 71.139 3.546 -69.937 1.00 0.00 C ATOM 535 SG CYS A 33 72.919 3.275 -70.175 1.00 0.00 S ATOM 0 H CYS A 33 70.417 2.425 -71.985 1.00 0.00 H new ATOM 0 HA CYS A 33 70.842 1.513 -69.302 1.00 0.00 H new ATOM 0 HB2 CYS A 33 70.767 4.183 -70.740 1.00 0.00 H new ATOM 0 HB3 CYS A 33 70.985 4.087 -69.004 1.00 0.00 H new ATOM 0 HG CYS A 33 73.115 2.632 -71.287 1.00 0.00 H new ATOM 540 N ILE A 34 68.944 2.854 -67.987 1.00 0.00 N ATOM 541 CA ILE A 34 67.704 2.946 -67.234 1.00 0.00 C ATOM 542 C ILE A 34 67.760 4.150 -66.299 1.00 0.00 C ATOM 543 O ILE A 34 66.807 4.925 -66.239 1.00 0.00 O ATOM 544 CB ILE A 34 67.497 1.656 -66.446 1.00 0.00 C ATOM 545 CG1 ILE A 34 67.330 0.485 -67.406 1.00 0.00 C ATOM 546 CG2 ILE A 34 66.260 1.784 -65.564 1.00 0.00 C ATOM 547 CD1 ILE A 34 68.694 -0.135 -67.699 1.00 0.00 C ATOM 0 H ILE A 34 69.783 3.077 -67.451 1.00 0.00 H new ATOM 0 HA ILE A 34 66.864 3.079 -67.915 1.00 0.00 H new ATOM 0 HB ILE A 34 68.368 1.478 -65.816 1.00 0.00 H new ATOM 0 HG12 ILE A 34 66.665 -0.262 -66.972 1.00 0.00 H new ATOM 0 HG13 ILE A 34 66.867 0.824 -68.333 1.00 0.00 H new ATOM 0 HG21 ILE A 34 66.116 0.861 -65.003 1.00 0.00 H new ATOM 0 HG22 ILE A 34 66.393 2.614 -64.869 1.00 0.00 H new ATOM 0 HG23 ILE A 34 65.386 1.970 -66.188 1.00 0.00 H new ATOM 0 HD11 ILE A 34 68.573 -0.973 -68.386 1.00 0.00 H new ATOM 0 HD12 ILE A 34 69.345 0.614 -68.151 1.00 0.00 H new ATOM 0 HD13 ILE A 34 69.140 -0.489 -66.770 1.00 0.00 H new ATOM 559 N GLY A 35 68.771 4.177 -65.426 1.00 0.00 N ATOM 560 CA GLY A 35 68.853 5.184 -64.386 1.00 0.00 C ATOM 561 C GLY A 35 69.049 6.560 -65.010 1.00 0.00 C ATOM 562 O GLY A 35 68.494 6.765 -66.112 1.00 0.00 O ATOM 563 OXT GLY A 35 69.613 7.424 -64.304 1.00 0.00 O ATOM 0 H GLY A 35 69.541 3.508 -65.426 1.00 0.00 H new ATOM 0 HA2 GLY A 35 67.943 5.174 -63.785 1.00 0.00 H new ATOM 0 HA3 GLY A 35 69.681 4.959 -63.714 1.00 0.00 H new