USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 250 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0.371 (180deg=0.307) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.961 K(o=-0.96,f=-11!) USER MOD Single : A 32 THR OG1 : rot 126:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.364 -1.581 2.652 1.00 24.24 N ATOM 2 CA ALA A 1 1.042 -1.275 1.399 1.00 42.41 C ATOM 3 C ALA A 1 0.802 -2.368 0.363 1.00 25.14 C ATOM 4 O ALA A 1 1.344 -3.469 0.471 1.00 41.21 O ATOM 5 CB ALA A 1 2.533 -1.088 1.637 1.00 24.41 C ATOM 0 H1 ALA A 1 0.544 -0.821 3.339 1.00 24.24 H new ATOM 0 H2 ALA A 1 -0.659 -1.660 2.483 1.00 24.24 H new ATOM 0 H3 ALA A 1 0.722 -2.481 3.030 1.00 24.24 H new ATOM 0 HA ALA A 1 0.629 -0.345 1.009 1.00 42.41 H new ATOM 0 HB1 ALA A 1 3.026 -0.860 0.692 1.00 24.41 H new ATOM 0 HB2 ALA A 1 2.690 -0.266 2.336 1.00 24.41 H new ATOM 0 HB3 ALA A 1 2.953 -2.004 2.054 1.00 24.41 H new ATOM 11 N CYS A 2 -0.013 -2.059 -0.639 1.00 42.41 N ATOM 12 CA CYS A 2 -0.326 -3.015 -1.694 1.00 42.10 C ATOM 13 C CYS A 2 -0.993 -2.320 -2.878 1.00 31.24 C ATOM 14 O CYS A 2 -1.487 -1.199 -2.756 1.00 41.12 O ATOM 15 CB CYS A 2 -1.238 -4.119 -1.156 1.00 52.00 C ATOM 16 SG CYS A 2 -2.654 -3.507 -0.186 1.00 62.14 S ATOM 0 H CYS A 2 -0.469 -1.153 -0.743 1.00 42.41 H new ATOM 0 HA CYS A 2 0.608 -3.460 -2.036 1.00 42.10 H new ATOM 0 HB2 CYS A 2 -1.612 -4.707 -1.994 1.00 52.00 H new ATOM 0 HB3 CYS A 2 -0.648 -4.791 -0.533 1.00 52.00 H new ATOM 21 N LYS A 3 -1.004 -2.994 -4.023 1.00 34.35 N ATOM 22 CA LYS A 3 -1.612 -2.445 -5.229 1.00 3.43 C ATOM 23 C LYS A 3 -1.885 -3.544 -6.250 1.00 32.21 C ATOM 24 O LYS A 3 -1.066 -4.443 -6.443 1.00 42.41 O ATOM 25 CB LYS A 3 -0.701 -1.379 -5.843 1.00 12.33 C ATOM 26 CG LYS A 3 0.665 -1.905 -6.247 1.00 21.25 C ATOM 27 CD LYS A 3 0.700 -2.297 -7.714 1.00 61.02 C ATOM 28 CE LYS A 3 2.062 -2.021 -8.332 1.00 62.23 C ATOM 29 NZ LYS A 3 1.995 -1.960 -9.819 1.00 33.13 N ATOM 0 H LYS A 3 -0.598 -3.922 -4.141 1.00 34.35 H new ATOM 0 HA LYS A 3 -2.562 -1.988 -4.951 1.00 3.43 H new ATOM 0 HB2 LYS A 3 -1.191 -0.955 -6.719 1.00 12.33 H new ATOM 0 HB3 LYS A 3 -0.571 -0.568 -5.127 1.00 12.33 H new ATOM 0 HG2 LYS A 3 1.421 -1.143 -6.055 1.00 21.25 H new ATOM 0 HG3 LYS A 3 0.920 -2.769 -5.633 1.00 21.25 H new ATOM 0 HD2 LYS A 3 0.461 -3.356 -7.815 1.00 61.02 H new ATOM 0 HD3 LYS A 3 -0.066 -1.744 -8.258 1.00 61.02 H new ATOM 0 HE2 LYS A 3 2.451 -1.078 -7.947 1.00 62.23 H new ATOM 0 HE3 LYS A 3 2.762 -2.801 -8.032 1.00 62.23 H new ATOM 0 HZ1 LYS A 3 2.943 -1.770 -10.202 1.00 33.13 H new ATOM 0 HZ2 LYS A 3 1.648 -2.868 -10.188 1.00 33.13 H new ATOM 0 HZ3 LYS A 3 1.347 -1.199 -10.106 1.00 33.13 H new ATOM 43 N ASP A 4 -3.040 -3.466 -6.901 1.00 72.24 N ATOM 44 CA ASP A 4 -3.420 -4.454 -7.905 1.00 12.40 C ATOM 45 C ASP A 4 -2.577 -4.298 -9.167 1.00 30.23 C ATOM 46 O ASP A 4 -2.723 -3.326 -9.908 1.00 3.24 O ATOM 47 CB ASP A 4 -4.904 -4.318 -8.248 1.00 54.15 C ATOM 48 CG ASP A 4 -5.299 -2.887 -8.556 1.00 0.21 C ATOM 49 OD1 ASP A 4 -5.467 -2.562 -9.750 1.00 11.54 O ATOM 50 OD2 ASP A 4 -5.439 -2.092 -7.603 1.00 2.32 O ATOM 0 H ASP A 4 -3.730 -2.729 -6.752 1.00 72.24 H new ATOM 0 HA ASP A 4 -3.240 -5.446 -7.490 1.00 12.40 H new ATOM 0 HB2 ASP A 4 -5.134 -4.948 -9.107 1.00 54.15 H new ATOM 0 HB3 ASP A 4 -5.502 -4.685 -7.414 1.00 54.15 H new ATOM 55 N VAL A 5 -1.694 -5.263 -9.405 1.00 2.33 N ATOM 56 CA VAL A 5 -0.827 -5.233 -10.577 1.00 21.33 C ATOM 57 C VAL A 5 -1.567 -5.713 -11.820 1.00 52.00 C ATOM 58 O VAL A 5 -1.432 -5.135 -12.898 1.00 45.44 O ATOM 59 CB VAL A 5 0.426 -6.105 -10.370 1.00 71.21 C ATOM 60 CG1 VAL A 5 1.409 -5.907 -11.514 1.00 30.12 C ATOM 61 CG2 VAL A 5 1.080 -5.789 -9.033 1.00 73.54 C ATOM 0 H VAL A 5 -1.560 -6.075 -8.802 1.00 2.33 H new ATOM 0 HA VAL A 5 -0.520 -4.197 -10.718 1.00 21.33 H new ATOM 0 HB VAL A 5 0.122 -7.152 -10.361 1.00 71.21 H new ATOM 0 HG11 VAL A 5 2.288 -6.531 -11.351 1.00 30.12 H new ATOM 0 HG12 VAL A 5 0.934 -6.188 -12.454 1.00 30.12 H new ATOM 0 HG13 VAL A 5 1.710 -4.860 -11.558 1.00 30.12 H new ATOM 0 HG21 VAL A 5 1.963 -6.414 -8.903 1.00 73.54 H new ATOM 0 HG22 VAL A 5 1.372 -4.739 -9.010 1.00 73.54 H new ATOM 0 HG23 VAL A 5 0.374 -5.987 -8.227 1.00 73.54 H new ATOM 71 N PHE A 6 -2.351 -6.774 -11.662 1.00 74.24 N ATOM 72 CA PHE A 6 -3.114 -7.333 -12.773 1.00 10.13 C ATOM 73 C PHE A 6 -4.270 -6.414 -13.156 1.00 12.34 C ATOM 74 O PHE A 6 -4.699 -5.558 -12.381 1.00 31.20 O ATOM 75 CB PHE A 6 -3.649 -8.718 -12.405 1.00 73.43 C ATOM 76 CG PHE A 6 -2.746 -9.842 -12.828 1.00 51.42 C ATOM 77 CD1 PHE A 6 -1.370 -9.683 -12.816 1.00 63.32 C ATOM 78 CD2 PHE A 6 -3.274 -11.055 -13.238 1.00 63.42 C ATOM 79 CE1 PHE A 6 -0.536 -10.715 -13.204 1.00 43.14 C ATOM 80 CE2 PHE A 6 -2.445 -12.091 -13.627 1.00 43.30 C ATOM 81 CZ PHE A 6 -1.074 -11.920 -13.611 1.00 51.23 C ATOM 0 H PHE A 6 -2.475 -7.264 -10.776 1.00 74.24 H new ATOM 0 HA PHE A 6 -2.447 -7.424 -13.630 1.00 10.13 H new ATOM 0 HB2 PHE A 6 -3.796 -8.767 -11.326 1.00 73.43 H new ATOM 0 HB3 PHE A 6 -4.627 -8.855 -12.866 1.00 73.43 H new ATOM 0 HD1 PHE A 6 -0.944 -8.742 -12.500 1.00 63.32 H new ATOM 0 HD2 PHE A 6 -4.345 -11.193 -13.254 1.00 63.42 H new ATOM 0 HE1 PHE A 6 0.535 -10.579 -13.189 1.00 43.14 H new ATOM 0 HE2 PHE A 6 -2.869 -13.033 -13.943 1.00 43.30 H new ATOM 0 HZ PHE A 6 -0.424 -12.727 -13.916 1.00 51.23 H new ATOM 91 N PRO A 7 -4.787 -6.593 -14.380 1.00 53.22 N ATOM 92 CA PRO A 7 -5.900 -5.790 -14.895 1.00 13.43 C ATOM 93 C PRO A 7 -7.215 -6.100 -14.187 1.00 60.13 C ATOM 94 O PRO A 7 -7.481 -7.246 -13.826 1.00 63.13 O ATOM 95 CB PRO A 7 -5.978 -6.194 -16.369 1.00 62.10 C ATOM 96 CG PRO A 7 -5.390 -7.562 -16.418 1.00 33.22 C ATOM 97 CD PRO A 7 -4.325 -7.594 -15.357 1.00 15.35 C ATOM 0 HA PRO A 7 -5.738 -4.723 -14.740 1.00 13.43 H new ATOM 0 HB2 PRO A 7 -7.008 -6.193 -16.726 1.00 62.10 H new ATOM 0 HB3 PRO A 7 -5.421 -5.501 -17.000 1.00 62.10 H new ATOM 0 HG2 PRO A 7 -6.150 -8.320 -16.231 1.00 33.22 H new ATOM 0 HG3 PRO A 7 -4.968 -7.770 -17.401 1.00 33.22 H new ATOM 0 HD2 PRO A 7 -4.235 -8.583 -14.907 1.00 15.35 H new ATOM 0 HD3 PRO A 7 -3.346 -7.338 -15.762 1.00 15.35 H new ATOM 105 N ALA A 8 -8.034 -5.072 -13.993 1.00 12.11 N ATOM 106 CA ALA A 8 -9.322 -5.236 -13.331 1.00 34.21 C ATOM 107 C ALA A 8 -10.190 -6.254 -14.064 1.00 14.45 C ATOM 108 O ALA A 8 -10.900 -7.042 -13.439 1.00 65.35 O ATOM 109 CB ALA A 8 -10.041 -3.898 -13.235 1.00 61.40 C ATOM 0 H ALA A 8 -7.828 -4.117 -14.285 1.00 12.11 H new ATOM 0 HA ALA A 8 -9.140 -5.611 -12.324 1.00 34.21 H new ATOM 0 HB1 ALA A 8 -11.001 -4.036 -12.738 1.00 61.40 H new ATOM 0 HB2 ALA A 8 -9.433 -3.199 -12.661 1.00 61.40 H new ATOM 0 HB3 ALA A 8 -10.204 -3.500 -14.237 1.00 61.40 H new ATOM 115 N ALA A 9 -10.130 -6.229 -15.391 1.00 23.51 N ATOM 116 CA ALA A 9 -10.909 -7.151 -16.208 1.00 54.22 C ATOM 117 C ALA A 9 -10.713 -8.592 -15.750 1.00 65.03 C ATOM 118 O ALA A 9 -11.676 -9.346 -15.604 1.00 44.40 O ATOM 119 CB ALA A 9 -10.532 -7.005 -17.675 1.00 5.33 C ATOM 0 H ALA A 9 -9.550 -5.580 -15.923 1.00 23.51 H new ATOM 0 HA ALA A 9 -11.963 -6.900 -16.089 1.00 54.22 H new ATOM 0 HB1 ALA A 9 -11.122 -7.700 -18.273 1.00 5.33 H new ATOM 0 HB2 ALA A 9 -10.732 -5.985 -18.002 1.00 5.33 H new ATOM 0 HB3 ALA A 9 -9.472 -7.226 -17.802 1.00 5.33 H new ATOM 125 N THR A 10 -9.458 -8.971 -15.526 1.00 11.34 N ATOM 126 CA THR A 10 -9.135 -10.322 -15.086 1.00 63.23 C ATOM 127 C THR A 10 -9.470 -10.516 -13.612 1.00 4.12 C ATOM 128 O THR A 10 -10.174 -11.456 -13.243 1.00 30.12 O ATOM 129 CB THR A 10 -7.645 -10.644 -15.309 1.00 60.12 C ATOM 130 OG1 THR A 10 -7.333 -10.577 -16.705 1.00 42.41 O ATOM 131 CG2 THR A 10 -7.304 -12.027 -14.774 1.00 52.24 C ATOM 0 H THR A 10 -8.649 -8.361 -15.642 1.00 11.34 H new ATOM 0 HA THR A 10 -9.740 -11.002 -15.685 1.00 63.23 H new ATOM 0 HB THR A 10 -7.052 -9.906 -14.769 1.00 60.12 H new ATOM 0 HG1 THR A 10 -6.384 -10.781 -16.838 1.00 42.41 H new ATOM 0 HG21 THR A 10 -6.247 -12.232 -14.943 1.00 52.24 H new ATOM 0 HG22 THR A 10 -7.515 -12.066 -13.705 1.00 52.24 H new ATOM 0 HG23 THR A 10 -7.906 -12.775 -15.290 1.00 52.24 H new ATOM 139 N CYS A 11 -8.961 -9.620 -12.772 1.00 33.52 N ATOM 140 CA CYS A 11 -9.206 -9.692 -11.337 1.00 34.25 C ATOM 141 C CYS A 11 -10.661 -10.052 -11.051 1.00 35.25 C ATOM 142 O CYS A 11 -10.952 -11.113 -10.498 1.00 30.30 O ATOM 143 CB CYS A 11 -8.859 -8.359 -10.671 1.00 53.25 C ATOM 144 SG CYS A 11 -7.106 -7.887 -10.822 1.00 31.13 S ATOM 0 H CYS A 11 -8.376 -8.836 -13.061 1.00 33.52 H new ATOM 0 HA CYS A 11 -8.568 -10.474 -10.924 1.00 34.25 H new ATOM 0 HB2 CYS A 11 -9.475 -7.574 -11.111 1.00 53.25 H new ATOM 0 HB3 CYS A 11 -9.120 -8.414 -9.614 1.00 53.25 H new ATOM 149 N ARG A 12 -11.571 -9.161 -11.431 1.00 34.31 N ATOM 150 CA ARG A 12 -12.996 -9.384 -11.215 1.00 22.22 C ATOM 151 C ARG A 12 -13.415 -10.760 -11.726 1.00 5.34 C ATOM 152 O ARG A 12 -14.219 -11.449 -11.097 1.00 40.41 O ATOM 153 CB ARG A 12 -13.816 -8.298 -11.913 1.00 45.34 C ATOM 154 CG ARG A 12 -13.607 -8.250 -13.418 1.00 65.12 C ATOM 155 CD ARG A 12 -13.798 -6.843 -13.963 1.00 34.40 C ATOM 156 NE ARG A 12 -15.124 -6.313 -13.654 1.00 45.20 N ATOM 157 CZ ARG A 12 -15.463 -5.040 -13.823 1.00 53.15 C ATOM 158 NH1 ARG A 12 -14.580 -4.172 -14.297 1.00 50.11 N ATOM 159 NH2 ARG A 12 -16.689 -4.633 -13.519 1.00 71.04 N ATOM 0 H ARG A 12 -11.347 -8.278 -11.890 1.00 34.31 H new ATOM 0 HA ARG A 12 -13.186 -9.340 -10.143 1.00 22.22 H new ATOM 0 HB2 ARG A 12 -14.873 -8.464 -11.707 1.00 45.34 H new ATOM 0 HB3 ARG A 12 -13.556 -7.329 -11.487 1.00 45.34 H new ATOM 0 HG2 ARG A 12 -12.604 -8.601 -13.658 1.00 65.12 H new ATOM 0 HG3 ARG A 12 -14.307 -8.928 -13.905 1.00 65.12 H new ATOM 0 HD2 ARG A 12 -13.037 -6.185 -13.543 1.00 34.40 H new ATOM 0 HD3 ARG A 12 -13.653 -6.850 -15.043 1.00 34.40 H new ATOM 0 HE ARG A 12 -15.827 -6.955 -13.289 1.00 45.20 H new ATOM 0 HH11 ARG A 12 -13.637 -4.481 -14.533 1.00 50.11 H new ATOM 0 HH12 ARG A 12 -14.844 -3.195 -14.426 1.00 50.11 H new ATOM 0 HH21 ARG A 12 -17.372 -5.298 -13.155 1.00 71.04 H new ATOM 0 HH22 ARG A 12 -16.949 -3.655 -13.649 1.00 71.04 H new ATOM 173 N HIS A 13 -12.864 -11.153 -12.870 1.00 21.44 N ATOM 174 CA HIS A 13 -13.180 -12.447 -13.465 1.00 51.21 C ATOM 175 C HIS A 13 -12.905 -13.580 -12.481 1.00 15.32 C ATOM 176 O HIS A 13 -13.695 -14.516 -12.362 1.00 22.33 O ATOM 177 CB HIS A 13 -12.366 -12.657 -14.742 1.00 52.43 C ATOM 178 CG HIS A 13 -13.123 -13.362 -15.826 1.00 3.14 C ATOM 179 ND1 HIS A 13 -13.531 -12.739 -16.986 1.00 60.32 N ATOM 180 CD2 HIS A 13 -13.543 -14.645 -15.921 1.00 14.15 C ATOM 181 CE1 HIS A 13 -14.172 -13.608 -17.747 1.00 64.44 C ATOM 182 NE2 HIS A 13 -14.193 -14.773 -17.124 1.00 4.42 N ATOM 0 H HIS A 13 -12.197 -10.595 -13.403 1.00 21.44 H new ATOM 0 HA HIS A 13 -14.241 -12.455 -13.713 1.00 51.21 H new ATOM 0 HB2 HIS A 13 -12.033 -11.688 -15.114 1.00 52.43 H new ATOM 0 HB3 HIS A 13 -11.471 -13.231 -14.502 1.00 52.43 H new ATOM 0 HD2 HIS A 13 -13.395 -15.423 -15.187 1.00 14.15 H new ATOM 0 HE1 HIS A 13 -14.605 -13.401 -18.714 1.00 64.44 H new ATOM 0 HE2 HIS A 13 -14.622 -15.628 -17.479 1.00 4.42 H new ATOM 190 N ALA A 14 -11.781 -13.487 -11.778 1.00 70.45 N ATOM 191 CA ALA A 14 -11.403 -14.504 -10.804 1.00 52.42 C ATOM 192 C ALA A 14 -12.338 -14.484 -9.600 1.00 13.23 C ATOM 193 O ALA A 14 -12.822 -15.527 -9.159 1.00 12.41 O ATOM 194 CB ALA A 14 -9.963 -14.299 -10.360 1.00 5.13 C ATOM 0 H ALA A 14 -11.116 -12.718 -11.865 1.00 70.45 H new ATOM 0 HA ALA A 14 -11.489 -15.480 -11.282 1.00 52.42 H new ATOM 0 HB1 ALA A 14 -9.694 -15.065 -9.633 1.00 5.13 H new ATOM 0 HB2 ALA A 14 -9.302 -14.371 -11.224 1.00 5.13 H new ATOM 0 HB3 ALA A 14 -9.859 -13.314 -9.905 1.00 5.13 H new ATOM 200 N LYS A 15 -12.589 -13.291 -9.070 1.00 65.13 N ATOM 201 CA LYS A 15 -13.466 -13.134 -7.917 1.00 32.44 C ATOM 202 C LYS A 15 -14.868 -13.650 -8.226 1.00 12.14 C ATOM 203 O LYS A 15 -15.415 -14.470 -7.488 1.00 65.44 O ATOM 204 CB LYS A 15 -13.533 -11.664 -7.497 1.00 21.44 C ATOM 205 CG LYS A 15 -12.170 -11.008 -7.361 1.00 61.02 C ATOM 206 CD LYS A 15 -11.280 -11.766 -6.390 1.00 11.30 C ATOM 207 CE LYS A 15 -11.855 -11.753 -4.982 1.00 4.03 C ATOM 208 NZ LYS A 15 -12.113 -10.368 -4.501 1.00 11.44 N ATOM 0 H LYS A 15 -12.196 -12.418 -9.422 1.00 65.13 H new ATOM 0 HA LYS A 15 -13.054 -13.721 -7.096 1.00 32.44 H new ATOM 0 HB2 LYS A 15 -14.121 -11.112 -8.230 1.00 21.44 H new ATOM 0 HB3 LYS A 15 -14.059 -11.590 -6.545 1.00 21.44 H new ATOM 0 HG2 LYS A 15 -11.688 -10.962 -8.338 1.00 61.02 H new ATOM 0 HG3 LYS A 15 -12.292 -9.981 -7.018 1.00 61.02 H new ATOM 0 HD2 LYS A 15 -11.165 -12.796 -6.728 1.00 11.30 H new ATOM 0 HD3 LYS A 15 -10.285 -11.320 -6.382 1.00 11.30 H new ATOM 0 HE2 LYS A 15 -12.784 -12.323 -4.964 1.00 4.03 H new ATOM 0 HE3 LYS A 15 -11.163 -12.250 -4.303 1.00 4.03 H new ATOM 0 HZ1 LYS A 15 -12.424 -10.397 -3.509 1.00 11.44 H new ATOM 0 HZ2 LYS A 15 -11.240 -9.807 -4.574 1.00 11.44 H new ATOM 0 HZ3 LYS A 15 -12.855 -9.931 -5.084 1.00 11.44 H new ATOM 222 N SER A 16 -15.444 -13.164 -9.321 1.00 34.35 N ATOM 223 CA SER A 16 -16.784 -13.575 -9.726 1.00 1.45 C ATOM 224 C SER A 16 -16.972 -15.077 -9.536 1.00 55.41 C ATOM 225 O SER A 16 -17.890 -15.516 -8.843 1.00 71.42 O ATOM 226 CB SER A 16 -17.036 -13.198 -11.187 1.00 3.33 C ATOM 227 OG SER A 16 -18.066 -13.992 -11.748 1.00 70.31 O ATOM 0 H SER A 16 -15.004 -12.486 -9.943 1.00 34.35 H new ATOM 0 HA SER A 16 -17.504 -13.054 -9.095 1.00 1.45 H new ATOM 0 HB2 SER A 16 -17.308 -12.145 -11.252 1.00 3.33 H new ATOM 0 HB3 SER A 16 -16.119 -13.327 -11.762 1.00 3.33 H new ATOM 0 HG SER A 16 -18.209 -13.731 -12.682 1.00 70.31 H new ATOM 233 N VAL A 17 -16.096 -15.860 -10.158 1.00 14.33 N ATOM 234 CA VAL A 17 -16.164 -17.313 -10.058 1.00 13.31 C ATOM 235 C VAL A 17 -15.736 -17.789 -8.675 1.00 23.14 C ATOM 236 O VAL A 17 -16.267 -18.767 -8.151 1.00 72.41 O ATOM 237 CB VAL A 17 -15.278 -17.990 -11.120 1.00 21.33 C ATOM 238 CG1 VAL A 17 -15.790 -17.682 -12.518 1.00 63.05 C ATOM 239 CG2 VAL A 17 -13.830 -17.551 -10.964 1.00 10.52 C ATOM 0 H VAL A 17 -15.331 -15.512 -10.736 1.00 14.33 H new ATOM 0 HA VAL A 17 -17.203 -17.594 -10.230 1.00 13.31 H new ATOM 0 HB VAL A 17 -15.324 -19.069 -10.972 1.00 21.33 H new ATOM 0 HG11 VAL A 17 -15.151 -18.169 -13.255 1.00 63.05 H new ATOM 0 HG12 VAL A 17 -16.810 -18.052 -12.621 1.00 63.05 H new ATOM 0 HG13 VAL A 17 -15.776 -16.604 -12.681 1.00 63.05 H new ATOM 0 HG21 VAL A 17 -13.218 -18.039 -11.723 1.00 10.52 H new ATOM 0 HG22 VAL A 17 -13.763 -16.470 -11.084 1.00 10.52 H new ATOM 0 HG23 VAL A 17 -13.470 -17.829 -9.973 1.00 10.52 H new ATOM 249 N GLY A 18 -14.770 -17.090 -8.086 1.00 41.55 N ATOM 250 CA GLY A 18 -14.286 -17.456 -6.768 1.00 41.13 C ATOM 251 C GLY A 18 -12.954 -18.177 -6.820 1.00 23.33 C ATOM 252 O GLY A 18 -12.705 -19.092 -6.036 1.00 33.22 O ATOM 0 H GLY A 18 -14.314 -16.276 -8.499 1.00 41.55 H new ATOM 0 HA2 GLY A 18 -14.186 -16.558 -6.159 1.00 41.13 H new ATOM 0 HA3 GLY A 18 -15.022 -18.093 -6.278 1.00 41.13 H new ATOM 256 N ASN A 19 -12.095 -17.766 -7.747 1.00 1.42 N ATOM 257 CA ASN A 19 -10.781 -18.381 -7.899 1.00 14.21 C ATOM 258 C ASN A 19 -9.724 -17.605 -7.120 1.00 22.25 C ATOM 259 O ASN A 19 -8.533 -17.681 -7.424 1.00 1.53 O ATOM 260 CB ASN A 19 -10.395 -18.447 -9.378 1.00 24.32 C ATOM 261 CG ASN A 19 -10.172 -19.870 -9.854 1.00 3.13 C ATOM 262 OD1 ASN A 19 -9.857 -20.759 -9.062 1.00 51.12 O ATOM 263 ND2 ASN A 19 -10.334 -20.091 -11.153 1.00 22.20 N ATOM 0 H ASN A 19 -12.285 -17.010 -8.404 1.00 1.42 H new ATOM 0 HA ASN A 19 -10.832 -19.393 -7.498 1.00 14.21 H new ATOM 0 HB2 ASN A 19 -11.180 -17.985 -9.977 1.00 24.32 H new ATOM 0 HB3 ASN A 19 -9.487 -17.866 -9.540 1.00 24.32 H new ATOM 0 HD21 ASN A 19 -10.197 -21.028 -11.532 1.00 22.20 H new ATOM 0 HD22 ASN A 19 -10.596 -19.324 -11.772 1.00 22.20 H new ATOM 270 N CYS A 20 -10.167 -16.860 -6.112 1.00 62.24 N ATOM 271 CA CYS A 20 -9.260 -16.070 -5.288 1.00 71.32 C ATOM 272 C CYS A 20 -8.235 -16.965 -4.596 1.00 54.32 C ATOM 273 O CYS A 20 -7.134 -16.525 -4.266 1.00 52.44 O ATOM 274 CB CYS A 20 -10.047 -15.276 -4.244 1.00 54.13 C ATOM 275 SG CYS A 20 -9.099 -13.932 -3.462 1.00 41.41 S ATOM 0 H CYS A 20 -11.149 -16.787 -5.846 1.00 62.24 H new ATOM 0 HA CYS A 20 -8.729 -15.375 -5.939 1.00 71.32 H new ATOM 0 HB2 CYS A 20 -10.933 -14.853 -4.717 1.00 54.13 H new ATOM 0 HB3 CYS A 20 -10.394 -15.960 -3.469 1.00 54.13 H new ATOM 280 N SER A 21 -8.606 -18.223 -4.380 1.00 14.41 N ATOM 281 CA SER A 21 -7.722 -19.179 -3.724 1.00 43.53 C ATOM 282 C SER A 21 -6.397 -19.294 -4.472 1.00 70.33 C ATOM 283 O SER A 21 -5.336 -19.419 -3.862 1.00 25.32 O ATOM 284 CB SER A 21 -8.393 -20.551 -3.638 1.00 10.55 C ATOM 285 OG SER A 21 -9.542 -20.505 -2.809 1.00 42.31 O ATOM 0 H SER A 21 -9.513 -18.604 -4.650 1.00 14.41 H new ATOM 0 HA SER A 21 -7.520 -18.818 -2.716 1.00 43.53 H new ATOM 0 HB2 SER A 21 -8.674 -20.885 -4.637 1.00 10.55 H new ATOM 0 HB3 SER A 21 -7.686 -21.281 -3.245 1.00 10.55 H new ATOM 0 HG SER A 21 -9.954 -21.393 -2.771 1.00 42.31 H new ATOM 291 N SER A 22 -6.468 -19.252 -5.799 1.00 12.10 N ATOM 292 CA SER A 22 -5.276 -19.356 -6.632 1.00 41.21 C ATOM 293 C SER A 22 -4.338 -18.177 -6.388 1.00 74.23 C ATOM 294 O SER A 22 -4.774 -17.029 -6.317 1.00 13.31 O ATOM 295 CB SER A 22 -5.665 -19.415 -8.111 1.00 22.44 C ATOM 296 OG SER A 22 -5.314 -20.665 -8.680 1.00 54.21 O ATOM 0 H SER A 22 -7.339 -19.147 -6.320 1.00 12.10 H new ATOM 0 HA SER A 22 -4.754 -20.275 -6.364 1.00 41.21 H new ATOM 0 HB2 SER A 22 -6.738 -19.253 -8.215 1.00 22.44 H new ATOM 0 HB3 SER A 22 -5.167 -18.612 -8.654 1.00 22.44 H new ATOM 0 HG SER A 22 -5.574 -20.679 -9.625 1.00 54.21 H new ATOM 302 N GLU A 23 -3.048 -18.472 -6.261 1.00 52.34 N ATOM 303 CA GLU A 23 -2.049 -17.437 -6.025 1.00 2.34 C ATOM 304 C GLU A 23 -1.790 -16.630 -7.294 1.00 11.43 C ATOM 305 O GLU A 23 -1.472 -15.442 -7.234 1.00 42.20 O ATOM 306 CB GLU A 23 -0.743 -18.061 -5.529 1.00 62.43 C ATOM 307 CG GLU A 23 0.114 -18.643 -6.641 1.00 41.54 C ATOM 308 CD GLU A 23 -0.585 -19.757 -7.395 1.00 31.43 C ATOM 309 OE1 GLU A 23 -0.454 -19.807 -8.636 1.00 31.12 O ATOM 310 OE2 GLU A 23 -1.263 -20.580 -6.744 1.00 12.40 O ATOM 0 H GLU A 23 -2.671 -19.418 -6.318 1.00 52.34 H new ATOM 0 HA GLU A 23 -2.435 -16.764 -5.260 1.00 2.34 H new ATOM 0 HB2 GLU A 23 -0.167 -17.304 -4.997 1.00 62.43 H new ATOM 0 HB3 GLU A 23 -0.976 -18.848 -4.811 1.00 62.43 H new ATOM 0 HG2 GLU A 23 0.384 -17.851 -7.339 1.00 41.54 H new ATOM 0 HG3 GLU A 23 1.043 -19.024 -6.217 1.00 41.54 H new ATOM 317 N LYS A 24 -1.929 -17.284 -8.442 1.00 43.50 N ATOM 318 CA LYS A 24 -1.711 -16.629 -9.727 1.00 33.13 C ATOM 319 C LYS A 24 -2.386 -15.262 -9.762 1.00 13.31 C ATOM 320 O LYS A 24 -1.802 -14.282 -10.225 1.00 42.00 O ATOM 321 CB LYS A 24 -2.245 -17.503 -10.864 1.00 54.41 C ATOM 322 CG LYS A 24 -1.993 -16.924 -12.246 1.00 15.45 C ATOM 323 CD LYS A 24 -2.381 -17.904 -13.340 1.00 43.31 C ATOM 324 CE LYS A 24 -2.778 -17.183 -14.619 1.00 42.41 C ATOM 325 NZ LYS A 24 -1.590 -16.693 -15.372 1.00 24.23 N ATOM 0 H LYS A 24 -2.192 -18.267 -8.509 1.00 43.50 H new ATOM 0 HA LYS A 24 -0.638 -16.488 -9.858 1.00 33.13 H new ATOM 0 HB2 LYS A 24 -1.782 -18.488 -10.802 1.00 54.41 H new ATOM 0 HB3 LYS A 24 -3.317 -17.645 -10.729 1.00 54.41 H new ATOM 0 HG2 LYS A 24 -2.561 -16.002 -12.364 1.00 15.45 H new ATOM 0 HG3 LYS A 24 -0.939 -16.664 -12.346 1.00 15.45 H new ATOM 0 HD2 LYS A 24 -1.545 -18.574 -13.543 1.00 43.31 H new ATOM 0 HD3 LYS A 24 -3.210 -18.523 -12.998 1.00 43.31 H new ATOM 0 HE2 LYS A 24 -3.356 -17.857 -15.251 1.00 42.41 H new ATOM 0 HE3 LYS A 24 -3.426 -16.341 -14.375 1.00 42.41 H new ATOM 0 HZ1 LYS A 24 -1.903 -16.208 -16.237 1.00 24.23 H new ATOM 0 HZ2 LYS A 24 -1.052 -16.030 -14.778 1.00 24.23 H new ATOM 0 HZ3 LYS A 24 -0.984 -17.499 -15.627 1.00 24.23 H new ATOM 339 N TYR A 25 -3.618 -15.202 -9.269 1.00 32.44 N ATOM 340 CA TYR A 25 -4.373 -13.955 -9.245 1.00 4.13 C ATOM 341 C TYR A 25 -4.605 -13.486 -7.812 1.00 5.15 C ATOM 342 O TYR A 25 -5.714 -13.098 -7.444 1.00 23.22 O ATOM 343 CB TYR A 25 -5.714 -14.132 -9.959 1.00 2.24 C ATOM 344 CG TYR A 25 -5.915 -15.515 -10.535 1.00 40.13 C ATOM 345 CD1 TYR A 25 -5.264 -15.906 -11.699 1.00 2.43 C ATOM 346 CD2 TYR A 25 -6.756 -16.431 -9.916 1.00 22.52 C ATOM 347 CE1 TYR A 25 -5.445 -17.168 -12.229 1.00 75.04 C ATOM 348 CE2 TYR A 25 -6.942 -17.697 -10.439 1.00 13.45 C ATOM 349 CZ TYR A 25 -6.285 -18.060 -11.596 1.00 14.13 C ATOM 350 OH TYR A 25 -6.468 -19.319 -12.120 1.00 42.13 O ATOM 0 H TYR A 25 -4.115 -16.003 -8.880 1.00 32.44 H new ATOM 0 HA TYR A 25 -3.789 -13.197 -9.766 1.00 4.13 H new ATOM 0 HB2 TYR A 25 -6.521 -13.919 -9.257 1.00 2.24 H new ATOM 0 HB3 TYR A 25 -5.788 -13.399 -10.762 1.00 2.24 H new ATOM 0 HD1 TYR A 25 -4.605 -15.211 -12.198 1.00 2.43 H new ATOM 0 HD2 TYR A 25 -7.273 -16.149 -9.011 1.00 22.52 H new ATOM 0 HE1 TYR A 25 -4.931 -17.455 -13.135 1.00 75.04 H new ATOM 0 HE2 TYR A 25 -7.598 -18.398 -9.944 1.00 13.45 H new ATOM 0 HH TYR A 25 -7.089 -19.822 -11.553 1.00 42.13 H new ATOM 360 N LYS A 26 -3.549 -13.524 -7.006 1.00 2.44 N ATOM 361 CA LYS A 26 -3.634 -13.101 -5.613 1.00 24.34 C ATOM 362 C LYS A 26 -2.436 -12.236 -5.232 1.00 71.35 C ATOM 363 O LYS A 26 -2.575 -11.254 -4.503 1.00 43.05 O ATOM 364 CB LYS A 26 -3.707 -14.322 -4.692 1.00 15.40 C ATOM 365 CG LYS A 26 -3.921 -13.969 -3.230 1.00 51.42 C ATOM 366 CD LYS A 26 -3.264 -14.984 -2.310 1.00 13.53 C ATOM 367 CE LYS A 26 -4.292 -15.701 -1.448 1.00 22.31 C ATOM 368 NZ LYS A 26 -4.290 -15.197 -0.047 1.00 13.41 N ATOM 0 H LYS A 26 -2.624 -13.844 -7.294 1.00 2.44 H new ATOM 0 HA LYS A 26 -4.541 -12.508 -5.494 1.00 24.34 H new ATOM 0 HB2 LYS A 26 -4.519 -14.969 -5.024 1.00 15.40 H new ATOM 0 HB3 LYS A 26 -2.784 -14.895 -4.788 1.00 15.40 H new ATOM 0 HG2 LYS A 26 -3.513 -12.978 -3.030 1.00 51.42 H new ATOM 0 HG3 LYS A 26 -4.989 -13.923 -3.018 1.00 51.42 H new ATOM 0 HD2 LYS A 26 -2.714 -15.713 -2.905 1.00 13.53 H new ATOM 0 HD3 LYS A 26 -2.538 -14.481 -1.671 1.00 13.53 H new ATOM 0 HE2 LYS A 26 -5.284 -15.569 -1.880 1.00 22.31 H new ATOM 0 HE3 LYS A 26 -4.084 -16.771 -1.449 1.00 22.31 H new ATOM 0 HZ1 LYS A 26 -5.004 -15.711 0.508 1.00 13.41 H new ATOM 0 HZ2 LYS A 26 -3.351 -15.346 0.374 1.00 13.41 H new ATOM 0 HZ3 LYS A 26 -4.514 -14.181 -0.043 1.00 13.41 H new ATOM 382 N ARG A 27 -1.262 -12.607 -5.732 1.00 23.10 N ATOM 383 CA ARG A 27 -0.040 -11.864 -5.445 1.00 35.44 C ATOM 384 C ARG A 27 -0.065 -10.495 -6.118 1.00 74.51 C ATOM 385 O ARG A 27 0.299 -9.488 -5.513 1.00 35.34 O ATOM 386 CB ARG A 27 1.184 -12.653 -5.913 1.00 74.14 C ATOM 387 CG ARG A 27 1.150 -13.008 -7.391 1.00 21.21 C ATOM 388 CD ARG A 27 2.298 -13.932 -7.768 1.00 53.00 C ATOM 389 NE ARG A 27 2.236 -15.202 -7.050 1.00 25.21 N ATOM 390 CZ ARG A 27 3.260 -16.044 -6.957 1.00 0.34 C ATOM 391 NH1 ARG A 27 4.418 -15.751 -7.533 1.00 32.04 N ATOM 392 NH2 ARG A 27 3.127 -17.181 -6.286 1.00 13.34 N ATOM 0 H ARG A 27 -1.131 -13.417 -6.338 1.00 23.10 H new ATOM 0 HA ARG A 27 0.022 -11.718 -4.367 1.00 35.44 H new ATOM 0 HB2 ARG A 27 2.082 -12.070 -5.708 1.00 74.14 H new ATOM 0 HB3 ARG A 27 1.260 -13.570 -5.329 1.00 74.14 H new ATOM 0 HG2 ARG A 27 0.201 -13.489 -7.629 1.00 21.21 H new ATOM 0 HG3 ARG A 27 1.204 -12.097 -7.987 1.00 21.21 H new ATOM 0 HD2 ARG A 27 2.274 -14.121 -8.841 1.00 53.00 H new ATOM 0 HD3 ARG A 27 3.246 -13.439 -7.552 1.00 53.00 H new ATOM 0 HE ARG A 27 1.359 -15.457 -6.595 1.00 25.21 H new ATOM 0 HH11 ARG A 27 4.524 -14.878 -8.049 1.00 32.04 H new ATOM 0 HH12 ARG A 27 5.202 -16.399 -7.460 1.00 32.04 H new ATOM 0 HH21 ARG A 27 2.238 -17.410 -5.841 1.00 13.34 H new ATOM 0 HH22 ARG A 27 3.914 -17.826 -6.215 1.00 13.34 H new ATOM 406 N ASN A 28 -0.497 -10.468 -7.375 1.00 1.21 N ATOM 407 CA ASN A 28 -0.568 -9.223 -8.131 1.00 52.12 C ATOM 408 C ASN A 28 -1.780 -8.398 -7.708 1.00 61.02 C ATOM 409 O ASN A 28 -1.640 -7.288 -7.193 1.00 32.41 O ATOM 410 CB ASN A 28 -0.635 -9.516 -9.631 1.00 75.43 C ATOM 411 CG ASN A 28 -1.413 -10.782 -9.939 1.00 3.15 C ATOM 412 OD1 ASN A 28 -2.636 -10.821 -9.802 1.00 64.04 O ATOM 413 ND2 ASN A 28 -0.704 -11.825 -10.355 1.00 40.33 N ATOM 0 H ASN A 28 -0.803 -11.293 -7.891 1.00 1.21 H new ATOM 0 HA ASN A 28 0.333 -8.647 -7.920 1.00 52.12 H new ATOM 0 HB2 ASN A 28 -1.100 -8.673 -10.143 1.00 75.43 H new ATOM 0 HB3 ASN A 28 0.377 -9.609 -10.026 1.00 75.43 H new ATOM 0 HD21 ASN A 28 -1.172 -12.704 -10.576 1.00 40.33 H new ATOM 0 HD22 ASN A 28 0.308 -11.747 -10.454 1.00 40.33 H new ATOM 420 N CYS A 29 -2.969 -8.948 -7.929 1.00 13.10 N ATOM 421 CA CYS A 29 -4.206 -8.265 -7.571 1.00 55.42 C ATOM 422 C CYS A 29 -4.505 -8.424 -6.083 1.00 41.42 C ATOM 423 O CYS A 29 -5.512 -9.020 -5.702 1.00 4.12 O ATOM 424 CB CYS A 29 -5.373 -8.811 -8.398 1.00 5.43 C ATOM 425 SG CYS A 29 -6.524 -7.531 -8.995 1.00 22.40 S ATOM 0 H CYS A 29 -3.102 -9.865 -8.355 1.00 13.10 H new ATOM 0 HA CYS A 29 -4.081 -7.204 -7.787 1.00 55.42 H new ATOM 0 HB2 CYS A 29 -4.974 -9.354 -9.255 1.00 5.43 H new ATOM 0 HB3 CYS A 29 -5.927 -9.530 -7.794 1.00 5.43 H new ATOM 430 N ALA A 30 -3.623 -7.886 -5.248 1.00 4.54 N ATOM 431 CA ALA A 30 -3.792 -7.965 -3.802 1.00 72.31 C ATOM 432 C ALA A 30 -4.965 -7.107 -3.339 1.00 24.32 C ATOM 433 O ALA A 30 -5.708 -7.491 -2.435 1.00 24.21 O ATOM 434 CB ALA A 30 -2.513 -7.540 -3.096 1.00 51.04 C ATOM 0 H ALA A 30 -2.783 -7.390 -5.548 1.00 4.54 H new ATOM 0 HA ALA A 30 -4.009 -9.001 -3.543 1.00 72.31 H new ATOM 0 HB1 ALA A 30 -2.654 -7.604 -2.017 1.00 51.04 H new ATOM 0 HB2 ALA A 30 -1.697 -8.198 -3.395 1.00 51.04 H new ATOM 0 HB3 ALA A 30 -2.270 -6.513 -3.370 1.00 51.04 H new ATOM 440 N ILE A 31 -5.124 -5.945 -3.963 1.00 10.05 N ATOM 441 CA ILE A 31 -6.207 -5.034 -3.614 1.00 4.54 C ATOM 442 C ILE A 31 -7.567 -5.689 -3.826 1.00 10.11 C ATOM 443 O ILE A 31 -8.531 -5.389 -3.121 1.00 1.54 O ATOM 444 CB ILE A 31 -6.139 -3.736 -4.441 1.00 74.54 C ATOM 445 CG1 ILE A 31 -4.812 -3.017 -4.195 1.00 42.31 C ATOM 446 CG2 ILE A 31 -7.312 -2.829 -4.100 1.00 4.22 C ATOM 447 CD1 ILE A 31 -4.638 -2.540 -2.770 1.00 72.20 C ATOM 0 H ILE A 31 -4.517 -5.612 -4.712 1.00 10.05 H new ATOM 0 HA ILE A 31 -6.086 -4.789 -2.559 1.00 4.54 H new ATOM 0 HB ILE A 31 -6.199 -3.993 -5.499 1.00 74.54 H new ATOM 0 HG12 ILE A 31 -3.992 -3.689 -4.447 1.00 42.31 H new ATOM 0 HG13 ILE A 31 -4.741 -2.162 -4.867 1.00 42.31 H new ATOM 0 HG21 ILE A 31 -7.250 -1.916 -4.692 1.00 4.22 H new ATOM 0 HG22 ILE A 31 -8.247 -3.344 -4.323 1.00 4.22 H new ATOM 0 HG23 ILE A 31 -7.281 -2.577 -3.040 1.00 4.22 H new ATOM 0 HD11 ILE A 31 -3.675 -2.040 -2.669 1.00 72.20 H new ATOM 0 HD12 ILE A 31 -5.437 -1.843 -2.520 1.00 72.20 H new ATOM 0 HD13 ILE A 31 -4.676 -3.394 -2.093 1.00 72.20 H new ATOM 459 N THR A 32 -7.639 -6.588 -4.802 1.00 64.44 N ATOM 460 CA THR A 32 -8.880 -7.288 -5.108 1.00 13.42 C ATOM 461 C THR A 32 -9.001 -8.573 -4.298 1.00 21.32 C ATOM 462 O THR A 32 -9.956 -8.756 -3.542 1.00 5.22 O ATOM 463 CB THR A 32 -8.980 -7.627 -6.607 1.00 25.51 C ATOM 464 OG1 THR A 32 -8.926 -6.427 -7.386 1.00 33.20 O ATOM 465 CG2 THR A 32 -10.269 -8.377 -6.908 1.00 1.42 C ATOM 0 H THR A 32 -6.851 -6.849 -5.395 1.00 64.44 H new ATOM 0 HA THR A 32 -9.695 -6.616 -4.841 1.00 13.42 H new ATOM 0 HB THR A 32 -8.137 -8.267 -6.869 1.00 25.51 H new ATOM 0 HG1 THR A 32 -8.217 -6.505 -8.058 1.00 33.20 H new ATOM 0 HG21 THR A 32 -10.317 -8.605 -7.973 1.00 1.42 H new ATOM 0 HG22 THR A 32 -10.292 -9.305 -6.336 1.00 1.42 H new ATOM 0 HG23 THR A 32 -11.123 -7.759 -6.631 1.00 1.42 H new ATOM 473 N CYS A 33 -8.027 -9.463 -4.460 1.00 1.32 N ATOM 474 CA CYS A 33 -8.023 -10.732 -3.743 1.00 72.44 C ATOM 475 C CYS A 33 -7.720 -10.521 -2.263 1.00 2.31 C ATOM 476 O CYS A 33 -8.568 -10.758 -1.404 1.00 54.24 O ATOM 477 CB CYS A 33 -6.993 -11.684 -4.355 1.00 73.13 C ATOM 478 SG CYS A 33 -7.447 -13.445 -4.239 1.00 42.43 S ATOM 0 H CYS A 33 -7.230 -9.328 -5.082 1.00 1.32 H new ATOM 0 HA CYS A 33 -9.015 -11.174 -3.833 1.00 72.44 H new ATOM 0 HB2 CYS A 33 -6.852 -11.424 -5.404 1.00 73.13 H new ATOM 0 HB3 CYS A 33 -6.035 -11.533 -3.858 1.00 73.13 H new ATOM 483 N GLY A 34 -6.502 -10.072 -1.972 1.00 73.10 N ATOM 484 CA GLY A 34 -6.108 -9.836 -0.596 1.00 11.25 C ATOM 485 C GLY A 34 -7.082 -8.937 0.140 1.00 1.13 C ATOM 486 O GLY A 34 -7.286 -9.086 1.345 1.00 71.14 O ATOM 0 H GLY A 34 -5.782 -9.868 -2.665 1.00 73.10 H new ATOM 0 HA2 GLY A 34 -6.033 -10.790 -0.074 1.00 11.25 H new ATOM 0 HA3 GLY A 34 -5.116 -9.384 -0.578 1.00 11.25 H new ATOM 490 N ALA A 35 -7.683 -8.000 -0.585 1.00 54.30 N ATOM 491 CA ALA A 35 -8.641 -7.073 0.006 1.00 31.54 C ATOM 492 C ALA A 35 -7.972 -6.184 1.049 1.00 55.11 C ATOM 493 O ALA A 35 -8.460 -6.051 2.172 1.00 73.52 O ATOM 494 CB ALA A 35 -9.800 -7.838 0.628 1.00 74.34 C ATOM 0 H ALA A 35 -7.524 -7.862 -1.583 1.00 54.30 H new ATOM 0 HA ALA A 35 -9.026 -6.432 -0.787 1.00 31.54 H new ATOM 0 HB1 ALA A 35 -10.508 -7.134 1.066 1.00 74.34 H new ATOM 0 HB2 ALA A 35 -10.302 -8.426 -0.140 1.00 74.34 H new ATOM 0 HB3 ALA A 35 -9.422 -8.503 1.405 1.00 74.34 H new ATOM 500 N CYS A 36 -6.853 -5.576 0.671 1.00 22.30 N ATOM 501 CA CYS A 36 -6.116 -4.700 1.573 1.00 2.23 C ATOM 502 C CYS A 36 -6.262 -3.240 1.153 1.00 22.04 C ATOM 503 O CYS A 36 -6.065 -2.330 1.959 1.00 50.01 O ATOM 504 CB CYS A 36 -4.636 -5.089 1.600 1.00 13.42 C ATOM 505 SG CYS A 36 -3.842 -5.106 -0.039 1.00 73.42 S ATOM 0 H CYS A 36 -6.436 -5.674 -0.255 1.00 22.30 H new ATOM 0 HA CYS A 36 -6.533 -4.816 2.573 1.00 2.23 H new ATOM 0 HB2 CYS A 36 -4.100 -4.392 2.244 1.00 13.42 H new ATOM 0 HB3 CYS A 36 -4.539 -6.077 2.049 1.00 13.42 H new TER 510 CYS A 36