USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 276 hydrogens (5 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 3 LYS NZ :NH3+ 166:sc= -0.0283 (180deg=-0.279) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0276 (180deg=-0.265) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0744) USER MOD Single : A 11 ASN : amide:sc= -0.0254 K(o=-0.025,f=-1.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.159 (180deg=-0.714) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 14.681 -4.253 3.835 1.00 0.00 C HETATM 2 O ACE A 0 14.482 -4.241 5.052 1.00 0.00 O HETATM 3 CH3 ACE A 0 15.230 -3.044 3.131 1.00 0.00 C HETATM 0 H1 ACE A 0 16.175 -3.300 2.652 1.00 0.00 H new HETATM 0 H2 ACE A 0 14.519 -2.709 2.376 1.00 0.00 H new HETATM 0 H3 ACE A 0 15.394 -2.245 3.854 1.00 0.00 H new ATOM 7 N PRO A 1 14.417 -5.331 3.084 1.00 0.00 N ATOM 8 CA PRO A 1 13.393 -5.340 2.035 1.00 0.00 C ATOM 9 C PRO A 1 12.052 -4.825 2.550 1.00 0.00 C ATOM 10 O PRO A 1 11.507 -5.357 3.519 1.00 0.00 O ATOM 11 CB PRO A 1 13.290 -6.824 1.661 1.00 0.00 C ATOM 12 CG PRO A 1 14.621 -7.395 1.992 1.00 0.00 C ATOM 13 CD PRO A 1 15.119 -6.622 3.187 1.00 0.00 C ATOM 0 HA PRO A 1 13.649 -4.693 1.196 1.00 0.00 H new ATOM 0 HB2 PRO A 1 12.497 -7.319 2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 1 13.058 -6.950 0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 1 14.544 -8.458 2.220 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.307 -7.298 1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 1 14.884 -7.133 4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 1 16.201 -6.493 3.158 1.00 0.00 H new ATOM 21 N PRO A 2 11.513 -3.775 1.913 1.00 0.00 N ATOM 22 CA PRO A 2 10.250 -3.167 2.335 1.00 0.00 C ATOM 23 C PRO A 2 9.055 -4.081 2.086 1.00 0.00 C ATOM 24 O PRO A 2 9.047 -4.873 1.137 1.00 0.00 O ATOM 25 CB PRO A 2 10.153 -1.897 1.485 1.00 0.00 C ATOM 26 CG PRO A 2 11.027 -2.133 0.302 1.00 0.00 C ATOM 27 CD PRO A 2 12.095 -3.106 0.733 1.00 0.00 C ATOM 0 HA PRO A 2 10.233 -2.970 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.124 -1.709 1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.483 -1.024 2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.450 -2.537 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.472 -1.199 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.327 -3.820 -0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.024 -2.594 0.982 1.00 0.00 H new ATOM 35 N LYS A 3 8.057 -3.981 2.949 1.00 0.00 N ATOM 36 CA LYS A 3 6.858 -4.793 2.826 1.00 0.00 C ATOM 37 C LYS A 3 5.744 -3.988 2.175 1.00 0.00 C ATOM 38 O LYS A 3 5.436 -2.877 2.611 1.00 0.00 O ATOM 39 CB LYS A 3 6.407 -5.301 4.198 1.00 0.00 C ATOM 40 CG LYS A 3 5.189 -6.207 4.142 1.00 0.00 C ATOM 41 CD LYS A 3 4.811 -6.723 5.519 1.00 0.00 C ATOM 42 CE LYS A 3 3.627 -7.673 5.449 1.00 0.00 C ATOM 43 NZ LYS A 3 3.926 -8.877 4.624 1.00 0.00 N ATOM 0 H LYS A 3 8.054 -3.343 3.745 1.00 0.00 H new ATOM 0 HA LYS A 3 7.088 -5.653 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.230 -5.842 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.185 -4.447 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.348 -5.661 3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.392 -7.049 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.664 -7.235 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.568 -5.883 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.351 -7.983 6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.767 -7.151 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.198 -9.601 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.931 -8.616 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.858 -9.256 4.888 1.00 0.00 H new ATOM 57 N LYS A 4 5.152 -4.549 1.134 1.00 0.00 N ATOM 58 CA LYS A 4 4.071 -3.887 0.424 1.00 0.00 C ATOM 59 C LYS A 4 2.750 -4.159 1.127 1.00 0.00 C ATOM 60 O LYS A 4 2.419 -5.317 1.392 1.00 0.00 O ATOM 61 CB LYS A 4 4.002 -4.381 -1.027 1.00 0.00 C ATOM 62 CG LYS A 4 2.977 -3.644 -1.882 1.00 0.00 C ATOM 63 CD LYS A 4 2.947 -4.178 -3.306 1.00 0.00 C ATOM 64 CE LYS A 4 2.451 -5.613 -3.360 1.00 0.00 C ATOM 65 NZ LYS A 4 2.481 -6.154 -4.745 1.00 0.00 N ATOM 0 H LYS A 4 5.403 -5.465 0.761 1.00 0.00 H new ATOM 0 HA LYS A 4 4.261 -2.814 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.986 -4.274 -1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.764 -5.445 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.989 -3.745 -1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.213 -2.580 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.302 -3.547 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.947 -4.123 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.068 -6.236 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.433 -5.661 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.136 -7.135 -4.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.872 -5.574 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.456 -6.131 -5.105 1.00 0.00 H new ATOM 79 N PRO A 5 1.990 -3.106 1.466 1.00 0.00 N ATOM 80 CA PRO A 5 0.680 -3.262 2.099 1.00 0.00 C ATOM 81 C PRO A 5 -0.291 -4.035 1.211 1.00 0.00 C ATOM 82 O PRO A 5 -0.159 -4.046 -0.018 1.00 0.00 O ATOM 83 CB PRO A 5 0.199 -1.823 2.318 1.00 0.00 C ATOM 84 CG PRO A 5 1.021 -0.987 1.401 1.00 0.00 C ATOM 85 CD PRO A 5 2.343 -1.688 1.273 1.00 0.00 C ATOM 0 HA PRO A 5 0.738 -3.834 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.863 -1.725 2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.334 -1.517 3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.538 -0.884 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.150 0.019 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.798 -1.515 0.298 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.056 -1.344 2.023 1.00 0.00 H new ATOM 93 N LYS A 6 -1.251 -4.689 1.837 1.00 0.00 N ATOM 94 CA LYS A 6 -2.212 -5.507 1.121 1.00 0.00 C ATOM 95 C LYS A 6 -3.282 -4.644 0.465 1.00 0.00 C ATOM 96 O LYS A 6 -4.045 -3.958 1.147 1.00 0.00 O ATOM 97 CB LYS A 6 -2.852 -6.513 2.076 1.00 0.00 C ATOM 98 CG LYS A 6 -1.862 -7.518 2.637 1.00 0.00 C ATOM 99 CD LYS A 6 -2.531 -8.493 3.589 1.00 0.00 C ATOM 100 CE LYS A 6 -1.542 -9.522 4.114 1.00 0.00 C ATOM 101 NZ LYS A 6 -0.959 -10.346 3.022 1.00 0.00 N ATOM 0 H LYS A 6 -1.387 -4.669 2.848 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.686 -6.047 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.320 -5.975 2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.645 -7.047 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.399 -8.069 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.063 -6.990 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.968 -7.946 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.349 -9.000 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.741 -9.013 4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.043 -10.173 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.498 -11.185 3.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.714 -10.647 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.257 -9.784 2.500 1.00 0.00 H new ATOM 115 N LYS A 7 -3.318 -4.681 -0.864 1.00 0.00 N ATOM 116 CA LYS A 7 -4.289 -3.911 -1.637 1.00 0.00 C ATOM 117 C LYS A 7 -5.704 -4.425 -1.392 1.00 0.00 C ATOM 118 O LYS A 7 -6.008 -5.585 -1.673 1.00 0.00 O ATOM 119 CB LYS A 7 -3.965 -3.980 -3.141 1.00 0.00 C ATOM 120 CG LYS A 7 -5.027 -3.333 -4.027 1.00 0.00 C ATOM 121 CD LYS A 7 -4.736 -3.556 -5.508 1.00 0.00 C ATOM 122 CE LYS A 7 -3.624 -2.651 -6.028 1.00 0.00 C ATOM 123 NZ LYS A 7 -4.060 -1.230 -6.126 1.00 0.00 N ATOM 0 H LYS A 7 -2.681 -5.240 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.229 -2.873 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.008 -3.491 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.849 -5.024 -3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.006 -3.745 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.071 -2.263 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.457 -4.597 -5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.644 -3.378 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.761 -2.720 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.302 -3.000 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.349 -0.684 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.972 -1.180 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.164 -0.832 -5.171 1.00 0.00 H new ATOM 137 N PRO A 8 -6.577 -3.569 -0.840 1.00 0.00 N ATOM 138 CA PRO A 8 -7.983 -3.904 -0.627 1.00 0.00 C ATOM 139 C PRO A 8 -8.720 -4.145 -1.940 1.00 0.00 C ATOM 140 O PRO A 8 -8.765 -3.274 -2.810 1.00 0.00 O ATOM 141 CB PRO A 8 -8.556 -2.672 0.081 1.00 0.00 C ATOM 142 CG PRO A 8 -7.384 -1.898 0.567 1.00 0.00 C ATOM 143 CD PRO A 8 -6.254 -2.216 -0.362 1.00 0.00 C ATOM 0 HA PRO A 8 -8.094 -4.825 -0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.162 -2.076 -0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.202 -2.963 0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.597 -0.829 0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.134 -2.174 1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.196 -1.502 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.293 -2.190 0.151 1.00 0.00 H new ATOM 151 N GLY A 9 -9.284 -5.329 -2.081 1.00 0.00 N ATOM 152 CA GLY A 9 -10.039 -5.652 -3.270 1.00 0.00 C ATOM 153 C GLY A 9 -11.358 -6.310 -2.935 1.00 0.00 C ATOM 154 O GLY A 9 -12.399 -5.959 -3.494 1.00 0.00 O ATOM 0 H GLY A 9 -9.233 -6.077 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.221 -4.743 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.452 -6.316 -3.904 1.00 0.00 H new ATOM 158 N ASP A 10 -11.312 -7.252 -2.006 1.00 0.00 N ATOM 159 CA ASP A 10 -12.502 -7.987 -1.589 1.00 0.00 C ATOM 160 C ASP A 10 -13.215 -7.250 -0.462 1.00 0.00 C ATOM 161 O ASP A 10 -12.670 -7.107 0.634 1.00 0.00 O ATOM 162 CB ASP A 10 -12.125 -9.404 -1.139 1.00 0.00 C ATOM 163 CG ASP A 10 -13.323 -10.219 -0.691 1.00 0.00 C ATOM 164 OD1 ASP A 10 -13.517 -10.380 0.531 1.00 0.00 O ATOM 165 OD2 ASP A 10 -14.068 -10.721 -1.559 1.00 0.00 O ATOM 0 H ASP A 10 -10.458 -7.529 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.178 -8.059 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.627 -9.920 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.408 -9.341 -0.320 1.00 0.00 H new ATOM 170 N ASN A 11 -14.426 -6.775 -0.750 1.00 0.00 N ATOM 171 CA ASN A 11 -15.228 -6.004 0.206 1.00 0.00 C ATOM 172 C ASN A 11 -14.454 -4.799 0.728 1.00 0.00 C ATOM 173 O ASN A 11 -13.989 -4.785 1.871 1.00 0.00 O ATOM 174 CB ASN A 11 -15.707 -6.873 1.374 1.00 0.00 C ATOM 175 CG ASN A 11 -16.745 -7.896 0.951 1.00 0.00 C ATOM 176 OD1 ASN A 11 -17.470 -7.697 -0.024 1.00 0.00 O ATOM 177 ND2 ASN A 11 -16.840 -8.987 1.694 1.00 0.00 N ATOM 0 H ASN A 11 -14.881 -6.913 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 11 -16.107 -5.646 -0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -14.853 -7.388 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -16.127 -6.233 2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.533 -9.700 1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -16.220 -9.115 2.494 1.00 0.00 H new ATOM 184 N ALA A 12 -14.294 -3.798 -0.123 1.00 0.00 N ATOM 185 CA ALA A 12 -13.576 -2.596 0.253 1.00 0.00 C ATOM 186 C ALA A 12 -14.177 -1.372 -0.414 1.00 0.00 C ATOM 187 O ALA A 12 -14.594 -1.420 -1.574 1.00 0.00 O ATOM 188 CB ALA A 12 -12.105 -2.725 -0.106 1.00 0.00 C ATOM 0 H ALA A 12 -14.652 -3.796 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 12 -13.665 -2.472 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.579 -1.815 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.675 -3.576 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.005 -2.877 -1.181 1.00 0.00 H new ATOM 194 N THR A 13 -14.228 -0.282 0.329 1.00 0.00 N ATOM 195 CA THR A 13 -14.707 0.978 -0.199 1.00 0.00 C ATOM 196 C THR A 13 -13.580 1.700 -0.931 1.00 0.00 C ATOM 197 O THR A 13 -12.405 1.458 -0.650 1.00 0.00 O ATOM 198 CB THR A 13 -15.248 1.876 0.928 1.00 0.00 C ATOM 199 OG1 THR A 13 -14.255 2.032 1.950 1.00 0.00 O ATOM 200 CG2 THR A 13 -16.515 1.287 1.523 1.00 0.00 C ATOM 0 H THR A 13 -13.941 -0.246 1.307 1.00 0.00 H new ATOM 0 HA THR A 13 -15.518 0.768 -0.896 1.00 0.00 H new ATOM 0 HB THR A 13 -15.486 2.853 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.606 2.606 2.662 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.880 1.938 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.275 1.200 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.300 0.300 1.932 1.00 0.00 H new ATOM 208 N PRO A 14 -13.910 2.582 -1.888 1.00 0.00 N ATOM 209 CA PRO A 14 -12.906 3.379 -2.602 1.00 0.00 C ATOM 210 C PRO A 14 -12.005 4.157 -1.645 1.00 0.00 C ATOM 211 O PRO A 14 -10.820 4.360 -1.912 1.00 0.00 O ATOM 212 CB PRO A 14 -13.748 4.336 -3.443 1.00 0.00 C ATOM 213 CG PRO A 14 -15.035 3.627 -3.645 1.00 0.00 C ATOM 214 CD PRO A 14 -15.277 2.853 -2.376 1.00 0.00 C ATOM 0 HA PRO A 14 -12.230 2.759 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.896 5.287 -2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.264 4.557 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.845 4.332 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -14.984 2.961 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.856 3.430 -1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -15.829 1.932 -2.564 1.00 0.00 H new ATOM 222 N GLU A 15 -12.576 4.577 -0.522 1.00 0.00 N ATOM 223 CA GLU A 15 -11.831 5.313 0.487 1.00 0.00 C ATOM 224 C GLU A 15 -10.771 4.427 1.136 1.00 0.00 C ATOM 225 O GLU A 15 -9.721 4.906 1.564 1.00 0.00 O ATOM 226 CB GLU A 15 -12.778 5.870 1.549 1.00 0.00 C ATOM 227 CG GLU A 15 -13.855 6.778 0.980 1.00 0.00 C ATOM 228 CD GLU A 15 -13.292 7.919 0.155 1.00 0.00 C ATOM 229 OE1 GLU A 15 -13.294 7.815 -1.089 1.00 0.00 O ATOM 230 OE2 GLU A 15 -12.849 8.925 0.743 1.00 0.00 O ATOM 0 H GLU A 15 -13.556 4.419 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.327 6.145 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.252 5.040 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.199 6.424 2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.530 6.188 0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.448 7.186 1.798 1.00 0.00 H new ATOM 237 N LYS A 16 -11.046 3.129 1.195 1.00 0.00 N ATOM 238 CA LYS A 16 -10.106 2.173 1.758 1.00 0.00 C ATOM 239 C LYS A 16 -8.920 2.009 0.815 1.00 0.00 C ATOM 240 O LYS A 16 -7.792 1.778 1.248 1.00 0.00 O ATOM 241 CB LYS A 16 -10.808 0.832 2.009 1.00 0.00 C ATOM 242 CG LYS A 16 -9.937 -0.230 2.673 1.00 0.00 C ATOM 243 CD LYS A 16 -9.403 0.237 4.020 1.00 0.00 C ATOM 244 CE LYS A 16 -8.783 -0.907 4.814 1.00 0.00 C ATOM 245 NZ LYS A 16 -7.726 -1.625 4.051 1.00 0.00 N ATOM 0 H LYS A 16 -11.916 2.716 0.858 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.736 2.541 2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.683 1.007 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.169 0.443 1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.517 -1.143 2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.102 -0.477 2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.657 1.017 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.214 0.682 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.357 -0.515 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.564 -1.612 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.037 -2.034 4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.159 -2.385 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.242 -0.958 3.416 1.00 0.00 H new ATOM 259 N LEU A 17 -9.182 2.144 -0.478 1.00 0.00 N ATOM 260 CA LEU A 17 -8.119 2.142 -1.473 1.00 0.00 C ATOM 261 C LEU A 17 -7.253 3.386 -1.333 1.00 0.00 C ATOM 262 O LEU A 17 -6.040 3.328 -1.514 1.00 0.00 O ATOM 263 CB LEU A 17 -8.678 2.051 -2.897 1.00 0.00 C ATOM 264 CG LEU A 17 -8.995 0.636 -3.402 1.00 0.00 C ATOM 265 CD1 LEU A 17 -7.788 -0.273 -3.231 1.00 0.00 C ATOM 266 CD2 LEU A 17 -10.204 0.054 -2.688 1.00 0.00 C ATOM 0 H LEU A 17 -10.120 2.256 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.507 1.258 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.589 2.647 -2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.960 2.507 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.234 0.705 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.030 -1.272 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.948 0.126 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.519 -0.326 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.403 -0.948 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.005 0.004 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.072 0.689 -2.866 1.00 0.00 H new ATOM 278 N ALA A 18 -7.881 4.507 -0.994 1.00 0.00 N ATOM 279 CA ALA A 18 -7.156 5.748 -0.766 1.00 0.00 C ATOM 280 C ALA A 18 -6.233 5.605 0.435 1.00 0.00 C ATOM 281 O ALA A 18 -5.136 6.167 0.471 1.00 0.00 O ATOM 282 CB ALA A 18 -8.128 6.894 -0.558 1.00 0.00 C ATOM 0 H ALA A 18 -8.891 4.580 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.549 5.966 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.572 7.816 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.754 7.005 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.757 6.685 0.307 1.00 0.00 H new ATOM 288 N ALA A 19 -6.696 4.849 1.421 1.00 0.00 N ATOM 289 CA ALA A 19 -5.887 4.518 2.581 1.00 0.00 C ATOM 290 C ALA A 19 -4.688 3.674 2.169 1.00 0.00 C ATOM 291 O ALA A 19 -3.569 3.896 2.631 1.00 0.00 O ATOM 292 CB ALA A 19 -6.726 3.785 3.610 1.00 0.00 C ATOM 0 H ALA A 19 -7.635 4.452 1.438 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.518 5.442 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.110 3.542 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.555 4.420 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.117 2.866 3.173 1.00 0.00 H new ATOM 298 N TYR A 20 -4.933 2.711 1.288 1.00 0.00 N ATOM 299 CA TYR A 20 -3.871 1.872 0.759 1.00 0.00 C ATOM 300 C TYR A 20 -2.859 2.702 -0.008 1.00 0.00 C ATOM 301 O TYR A 20 -1.658 2.539 0.172 1.00 0.00 O ATOM 302 CB TYR A 20 -4.443 0.792 -0.159 1.00 0.00 C ATOM 303 CG TYR A 20 -3.383 0.024 -0.916 1.00 0.00 C ATOM 304 CD1 TYR A 20 -3.208 0.204 -2.281 1.00 0.00 C ATOM 305 CD2 TYR A 20 -2.554 -0.873 -0.262 1.00 0.00 C ATOM 306 CE1 TYR A 20 -2.236 -0.495 -2.974 1.00 0.00 C ATOM 307 CE2 TYR A 20 -1.583 -1.573 -0.948 1.00 0.00 C ATOM 308 CZ TYR A 20 -1.427 -1.382 -2.299 1.00 0.00 C ATOM 309 OH TYR A 20 -0.455 -2.084 -2.975 1.00 0.00 O ATOM 0 H TYR A 20 -5.861 2.494 0.926 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.373 1.396 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.031 0.094 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.124 1.256 -0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.841 0.901 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.670 -1.027 0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.112 -0.346 -4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.947 -2.270 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 20 0.025 -2.664 -2.348 1.00 0.00 H new ATOM 319 N GLU A 21 -3.348 3.595 -0.859 1.00 0.00 N ATOM 320 CA GLU A 21 -2.473 4.443 -1.658 1.00 0.00 C ATOM 321 C GLU A 21 -1.602 5.325 -0.765 1.00 0.00 C ATOM 322 O GLU A 21 -0.499 5.713 -1.148 1.00 0.00 O ATOM 323 CB GLU A 21 -3.285 5.310 -2.625 1.00 0.00 C ATOM 324 CG GLU A 21 -4.001 4.520 -3.714 1.00 0.00 C ATOM 325 CD GLU A 21 -4.715 5.414 -4.705 1.00 0.00 C ATOM 326 OE1 GLU A 21 -4.107 5.781 -5.735 1.00 0.00 O ATOM 327 OE2 GLU A 21 -5.892 5.749 -4.468 1.00 0.00 O ATOM 0 H GLU A 21 -4.344 3.751 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.822 3.791 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.023 5.877 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.619 6.034 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.278 3.901 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.722 3.845 -3.254 1.00 0.00 H new ATOM 334 N LYS A 22 -2.094 5.625 0.429 1.00 0.00 N ATOM 335 CA LYS A 22 -1.321 6.381 1.403 1.00 0.00 C ATOM 336 C LYS A 22 -0.129 5.557 1.879 1.00 0.00 C ATOM 337 O LYS A 22 0.997 6.054 1.952 1.00 0.00 O ATOM 338 CB LYS A 22 -2.204 6.777 2.590 1.00 0.00 C ATOM 339 CG LYS A 22 -1.474 7.538 3.687 1.00 0.00 C ATOM 340 CD LYS A 22 -1.012 8.911 3.222 1.00 0.00 C ATOM 341 CE LYS A 22 -0.247 9.632 4.320 1.00 0.00 C ATOM 342 NZ LYS A 22 0.125 11.015 3.929 1.00 0.00 N ATOM 0 H LYS A 22 -3.025 5.356 0.746 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.951 7.290 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.029 7.390 2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.642 5.876 3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.132 7.650 4.549 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.612 6.959 4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.378 8.806 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.875 9.507 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.855 9.663 5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.655 9.070 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.645 11.468 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.727 10.986 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.736 11.561 3.723 1.00 0.00 H new ATOM 356 N GLU A 23 -0.376 4.290 2.187 1.00 0.00 N ATOM 357 CA GLU A 23 0.686 3.398 2.625 1.00 0.00 C ATOM 358 C GLU A 23 1.538 2.962 1.437 1.00 0.00 C ATOM 359 O GLU A 23 2.724 2.673 1.580 1.00 0.00 O ATOM 360 CB GLU A 23 0.109 2.180 3.348 1.00 0.00 C ATOM 361 CG GLU A 23 -0.631 2.532 4.629 1.00 0.00 C ATOM 362 CD GLU A 23 -0.953 1.316 5.470 1.00 0.00 C ATOM 363 OE1 GLU A 23 -0.138 0.969 6.349 1.00 0.00 O ATOM 364 OE2 GLU A 23 -2.024 0.710 5.264 1.00 0.00 O ATOM 0 H GLU A 23 -1.300 3.860 2.141 1.00 0.00 H new ATOM 0 HA GLU A 23 1.320 3.940 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.572 1.657 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.919 1.489 3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.026 3.224 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.556 3.051 4.378 1.00 0.00 H new ATOM 371 N LEU A 24 0.924 2.928 0.262 1.00 0.00 N ATOM 372 CA LEU A 24 1.631 2.610 -0.969 1.00 0.00 C ATOM 373 C LEU A 24 2.701 3.653 -1.234 1.00 0.00 C ATOM 374 O LEU A 24 3.821 3.319 -1.601 1.00 0.00 O ATOM 375 CB LEU A 24 0.664 2.550 -2.155 1.00 0.00 C ATOM 376 CG LEU A 24 1.301 2.137 -3.483 1.00 0.00 C ATOM 377 CD1 LEU A 24 1.807 0.705 -3.413 1.00 0.00 C ATOM 378 CD2 LEU A 24 0.314 2.305 -4.627 1.00 0.00 C ATOM 0 H LEU A 24 -0.070 3.119 0.136 1.00 0.00 H new ATOM 0 HA LEU A 24 2.097 1.631 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.136 1.848 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.202 3.530 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 24 2.153 2.790 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.256 0.431 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.553 0.621 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.974 0.035 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.787 2.006 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.561 1.681 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.008 3.349 -4.693 1.00 0.00 H new ATOM 390 N ALA A 25 2.354 4.914 -1.014 1.00 0.00 N ATOM 391 CA ALA A 25 3.293 6.009 -1.195 1.00 0.00 C ATOM 392 C ALA A 25 4.492 5.852 -0.267 1.00 0.00 C ATOM 393 O ALA A 25 5.623 6.179 -0.631 1.00 0.00 O ATOM 394 CB ALA A 25 2.596 7.331 -0.943 1.00 0.00 C ATOM 0 H ALA A 25 1.425 5.203 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 25 3.657 5.991 -2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.305 8.148 -1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.770 7.446 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.212 7.351 0.077 1.00 0.00 H new ATOM 400 N ALA A 26 4.237 5.336 0.928 1.00 0.00 N ATOM 401 CA ALA A 26 5.295 5.086 1.895 1.00 0.00 C ATOM 402 C ALA A 26 6.158 3.916 1.441 1.00 0.00 C ATOM 403 O ALA A 26 7.384 3.939 1.576 1.00 0.00 O ATOM 404 CB ALA A 26 4.702 4.816 3.268 1.00 0.00 C ATOM 0 H ALA A 26 3.303 5.082 1.251 1.00 0.00 H new ATOM 0 HA ALA A 26 5.926 5.972 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.505 4.631 3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.123 5.681 3.591 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.052 3.942 3.218 1.00 0.00 H new ATOM 410 N TYR A 27 5.506 2.897 0.898 1.00 0.00 N ATOM 411 CA TYR A 27 6.195 1.733 0.364 1.00 0.00 C ATOM 412 C TYR A 27 7.039 2.102 -0.853 1.00 0.00 C ATOM 413 O TYR A 27 8.200 1.707 -0.952 1.00 0.00 O ATOM 414 CB TYR A 27 5.184 0.643 -0.005 1.00 0.00 C ATOM 415 CG TYR A 27 5.773 -0.457 -0.855 1.00 0.00 C ATOM 416 CD1 TYR A 27 6.531 -1.469 -0.290 1.00 0.00 C ATOM 417 CD2 TYR A 27 5.576 -0.468 -2.226 1.00 0.00 C ATOM 418 CE1 TYR A 27 7.080 -2.467 -1.072 1.00 0.00 C ATOM 419 CE2 TYR A 27 6.117 -1.462 -3.016 1.00 0.00 C ATOM 420 CZ TYR A 27 6.870 -2.459 -2.435 1.00 0.00 C ATOM 421 OH TYR A 27 7.413 -3.452 -3.220 1.00 0.00 O ATOM 0 H TYR A 27 4.490 2.855 0.816 1.00 0.00 H new ATOM 0 HA TYR A 27 6.863 1.353 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.779 0.209 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.349 1.097 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.695 -1.478 0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.989 0.314 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.670 -3.249 -0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.951 -1.458 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 27 7.169 -3.299 -4.157 1.00 0.00 H new ATOM 431 N GLU A 28 6.450 2.863 -1.769 1.00 0.00 N ATOM 432 CA GLU A 28 7.126 3.246 -3.005 1.00 0.00 C ATOM 433 C GLU A 28 8.385 4.049 -2.708 1.00 0.00 C ATOM 434 O GLU A 28 9.369 3.970 -3.446 1.00 0.00 O ATOM 435 CB GLU A 28 6.196 4.062 -3.909 1.00 0.00 C ATOM 436 CG GLU A 28 4.992 3.285 -4.429 1.00 0.00 C ATOM 437 CD GLU A 28 4.093 4.139 -5.295 1.00 0.00 C ATOM 438 OE1 GLU A 28 4.009 3.872 -6.514 1.00 0.00 O ATOM 439 OE2 GLU A 28 3.484 5.093 -4.767 1.00 0.00 O ATOM 0 H GLU A 28 5.502 3.228 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 28 7.405 2.329 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.842 4.932 -3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.768 4.435 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.337 2.425 -5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.420 2.897 -3.586 1.00 0.00 H new ATOM 446 N LYS A 29 8.349 4.813 -1.624 1.00 0.00 N ATOM 447 CA LYS A 29 9.497 5.603 -1.208 1.00 0.00 C ATOM 448 C LYS A 29 10.649 4.683 -0.813 1.00 0.00 C ATOM 449 O LYS A 29 11.790 4.874 -1.241 1.00 0.00 O ATOM 450 CB LYS A 29 9.117 6.513 -0.037 1.00 0.00 C ATOM 451 CG LYS A 29 10.238 7.442 0.407 1.00 0.00 C ATOM 452 CD LYS A 29 9.789 8.371 1.527 1.00 0.00 C ATOM 453 CE LYS A 29 10.907 9.307 1.956 1.00 0.00 C ATOM 454 NZ LYS A 29 10.465 10.247 3.019 1.00 0.00 N ATOM 0 H LYS A 29 7.534 4.901 -1.017 1.00 0.00 H new ATOM 0 HA LYS A 29 9.817 6.227 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.252 7.112 -0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.814 5.895 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.089 6.850 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.578 8.034 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.931 8.956 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.460 7.780 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.752 8.721 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.258 9.873 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.256 10.868 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.675 10.824 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.154 9.708 3.852 1.00 0.00 H new ATOM 468 N GLU A 30 10.335 3.677 -0.001 1.00 0.00 N ATOM 469 CA GLU A 30 11.326 2.698 0.423 1.00 0.00 C ATOM 470 C GLU A 30 11.788 1.857 -0.759 1.00 0.00 C ATOM 471 O GLU A 30 12.951 1.464 -0.843 1.00 0.00 O ATOM 472 CB GLU A 30 10.759 1.789 1.514 1.00 0.00 C ATOM 473 CG GLU A 30 10.261 2.536 2.736 1.00 0.00 C ATOM 474 CD GLU A 30 11.309 3.446 3.339 1.00 0.00 C ATOM 475 OE1 GLU A 30 12.315 2.934 3.881 1.00 0.00 O ATOM 476 OE2 GLU A 30 11.125 4.678 3.289 1.00 0.00 O ATOM 0 H GLU A 30 9.400 3.520 0.376 1.00 0.00 H new ATOM 0 HA GLU A 30 12.181 3.240 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.938 1.205 1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.529 1.082 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.387 3.128 2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.936 1.817 3.488 1.00 0.00 H new ATOM 483 N LEU A 31 10.863 1.587 -1.672 1.00 0.00 N ATOM 484 CA LEU A 31 11.153 0.780 -2.852 1.00 0.00 C ATOM 485 C LEU A 31 12.195 1.461 -3.729 1.00 0.00 C ATOM 486 O LEU A 31 13.151 0.829 -4.175 1.00 0.00 O ATOM 487 CB LEU A 31 9.875 0.533 -3.661 1.00 0.00 C ATOM 488 CG LEU A 31 10.023 -0.458 -4.812 1.00 0.00 C ATOM 489 CD1 LEU A 31 10.406 -1.827 -4.280 1.00 0.00 C ATOM 490 CD2 LEU A 31 8.733 -0.532 -5.612 1.00 0.00 C ATOM 0 H LEU A 31 9.900 1.917 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 31 11.550 -0.178 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.100 0.170 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.528 1.485 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 31 10.817 -0.113 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.508 -2.525 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.353 -1.758 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.631 -2.183 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.852 -1.242 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.921 -0.859 -4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.499 0.452 -6.018 1.00 0.00 H new ATOM 502 N ALA A 32 12.009 2.756 -3.958 1.00 0.00 N ATOM 503 CA ALA A 32 12.936 3.535 -4.766 1.00 0.00 C ATOM 504 C ALA A 32 14.322 3.582 -4.129 1.00 0.00 C ATOM 505 O ALA A 32 15.331 3.719 -4.821 1.00 0.00 O ATOM 506 CB ALA A 32 12.396 4.938 -4.966 1.00 0.00 C ATOM 0 H ALA A 32 11.220 3.290 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 32 13.034 3.049 -5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.096 5.514 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.433 4.888 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.271 5.421 -3.997 1.00 0.00 H new ATOM 512 N ALA A 33 14.365 3.470 -2.808 1.00 0.00 N ATOM 513 CA ALA A 33 15.625 3.453 -2.085 1.00 0.00 C ATOM 514 C ALA A 33 16.269 2.070 -2.141 1.00 0.00 C ATOM 515 O ALA A 33 17.494 1.940 -2.114 1.00 0.00 O ATOM 516 CB ALA A 33 15.402 3.876 -0.646 1.00 0.00 C ATOM 0 H ALA A 33 13.538 3.389 -2.216 1.00 0.00 H new ATOM 0 HA ALA A 33 16.305 4.159 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.351 3.861 -0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.989 4.884 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.705 3.187 -0.168 1.00 0.00 H new ATOM 522 N TYR A 34 15.434 1.041 -2.214 1.00 0.00 N ATOM 523 CA TYR A 34 15.911 -0.332 -2.276 1.00 0.00 C ATOM 524 C TYR A 34 16.488 -0.636 -3.655 1.00 0.00 C ATOM 525 O TYR A 34 17.634 -1.070 -3.781 1.00 0.00 O ATOM 526 CB TYR A 34 14.767 -1.304 -1.956 1.00 0.00 C ATOM 527 CG TYR A 34 15.178 -2.758 -1.981 1.00 0.00 C ATOM 528 CD1 TYR A 34 14.811 -3.584 -3.035 1.00 0.00 C ATOM 529 CD2 TYR A 34 15.937 -3.300 -0.954 1.00 0.00 C ATOM 530 CE1 TYR A 34 15.191 -4.912 -3.065 1.00 0.00 C ATOM 531 CE2 TYR A 34 16.321 -4.629 -0.975 1.00 0.00 C ATOM 532 CZ TYR A 34 15.945 -5.431 -2.035 1.00 0.00 C ATOM 533 OH TYR A 34 16.329 -6.753 -2.068 1.00 0.00 O ATOM 0 H TYR A 34 14.418 1.134 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 34 16.700 -0.458 -1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 34 14.365 -1.066 -0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 34 13.961 -1.151 -2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 34 14.219 -3.182 -3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 34 16.233 -2.674 -0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.898 -5.541 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 34 16.911 -5.037 -0.168 1.00 0.00 H new ATOM 0 HH TYR A 34 16.856 -6.961 -1.268 1.00 0.00 H new HETATM 543 N NH2 A 35 15.693 -0.397 -4.685 1.00 0.00 N TER 546 NH2 A 35