USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 290 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 23 ASN : amide:sc= 0.196 X(o=0.22,f=0) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -166:sc= 0.0208 (180deg=0) USER MOD Set 2.1: A 15 HIS : no HD1:sc= 0.557 K(o=1.4,f=-2.7!) USER MOD Set 2.2: A 22 TYR OH : rot -169:sc= 0.805 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -5:sc= 0.21 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -5.526 -2.280 -2.448 1.00 0.00 N ATOM 2 CA GLU A 1 -6.119 -2.686 -3.787 1.00 0.00 C ATOM 3 C GLU A 1 -5.135 -2.403 -5.041 1.00 0.00 C ATOM 4 O GLU A 1 -5.435 -1.660 -5.987 1.00 0.00 O ATOM 5 CB GLU A 1 -7.468 -2.134 -3.904 1.00 0.00 C ATOM 6 CG GLU A 1 -8.239 -2.630 -5.174 1.00 0.00 C ATOM 7 CD GLU A 1 -9.741 -2.340 -5.229 1.00 0.00 C ATOM 8 OE1 GLU A 1 -10.555 -2.975 -5.920 1.00 0.00 O ATOM 9 OE2 GLU A 1 -10.134 -1.313 -4.432 1.00 0.00 O ATOM 0 H1 GLU A 1 -6.207 -2.488 -1.690 1.00 0.00 H new ATOM 0 H2 GLU A 1 -4.648 -2.812 -2.281 1.00 0.00 H new ATOM 0 H3 GLU A 1 -5.317 -1.261 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 1 -6.219 -3.771 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -8.039 -2.401 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -7.406 -1.046 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -7.774 -2.179 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -8.098 -3.708 -5.257 1.00 0.00 H new ATOM 18 N LYS A 2 -3.934 -2.897 -5.009 1.00 0.00 N ATOM 19 CA LYS A 2 -2.806 -2.351 -5.823 1.00 0.00 C ATOM 20 C LYS A 2 -2.636 -3.030 -7.230 1.00 0.00 C ATOM 21 O LYS A 2 -1.865 -4.021 -7.286 1.00 0.00 O ATOM 22 CB LYS A 2 -1.484 -2.290 -5.070 1.00 0.00 C ATOM 23 CG LYS A 2 -0.886 -3.545 -4.402 1.00 0.00 C ATOM 24 CD LYS A 2 0.207 -3.106 -3.383 1.00 0.00 C ATOM 25 CE LYS A 2 0.961 -4.339 -2.770 1.00 0.00 C ATOM 26 NZ LYS A 2 1.922 -3.880 -1.695 1.00 0.00 N ATOM 0 H LYS A 2 -3.673 -3.693 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.107 -1.322 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.737 -1.915 -5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.597 -1.537 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.668 -4.110 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.455 -4.203 -5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.924 -2.451 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.254 -2.527 -2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.242 -5.042 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.505 -4.868 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.416 -4.704 -1.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.617 -3.226 -2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.394 -3.394 -0.942 1.00 0.00 H new ATOM 39 N LYS A 3 -3.282 -2.584 -8.349 1.00 0.00 N ATOM 40 CA LYS A 3 -3.183 -3.351 -9.673 1.00 0.00 C ATOM 41 C LYS A 3 -2.082 -2.998 -10.717 1.00 0.00 C ATOM 42 O LYS A 3 -2.160 -2.150 -11.631 1.00 0.00 O ATOM 43 CB LYS A 3 -4.608 -3.590 -10.207 1.00 0.00 C ATOM 44 CG LYS A 3 -4.646 -4.599 -11.396 1.00 0.00 C ATOM 45 CD LYS A 3 -6.005 -5.273 -11.631 1.00 0.00 C ATOM 46 CE LYS A 3 -6.115 -5.870 -13.054 1.00 0.00 C ATOM 47 NZ LYS A 3 -5.895 -7.357 -12.863 1.00 0.00 N ATOM 0 H LYS A 3 -3.855 -1.741 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.713 -4.301 -9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.236 -3.964 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.035 -2.640 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.355 -4.076 -12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.899 -5.373 -11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.151 -6.063 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.802 -4.545 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.091 -5.667 -13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.368 -5.441 -13.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.954 -7.838 -13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.955 -7.518 -12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -6.625 -7.737 -12.227 1.00 0.00 H new ATOM 60 N CYS A 4 -0.954 -3.652 -10.541 1.00 0.00 N ATOM 61 CA CYS A 4 0.250 -3.444 -11.355 1.00 0.00 C ATOM 62 C CYS A 4 0.218 -4.253 -12.661 1.00 0.00 C ATOM 63 O CYS A 4 -0.502 -5.275 -12.756 1.00 0.00 O ATOM 64 CB CYS A 4 1.395 -3.742 -10.293 1.00 0.00 C ATOM 65 SG CYS A 4 1.264 -2.564 -8.987 1.00 0.00 S ATOM 0 H CYS A 4 -0.834 -4.360 -9.817 1.00 0.00 H new ATOM 0 HA CYS A 4 0.390 -2.453 -11.786 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.295 -4.754 -9.902 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.376 -3.678 -10.765 1.00 0.00 H new ATOM 70 N PRO A 5 0.902 -3.802 -13.767 1.00 0.00 N ATOM 71 CA PRO A 5 2.224 -3.073 -13.693 1.00 0.00 C ATOM 72 C PRO A 5 2.307 -1.552 -13.450 1.00 0.00 C ATOM 73 O PRO A 5 3.366 -0.966 -13.212 1.00 0.00 O ATOM 74 CB PRO A 5 2.953 -3.437 -15.013 1.00 0.00 C ATOM 75 CG PRO A 5 2.391 -4.815 -15.344 1.00 0.00 C ATOM 76 CD PRO A 5 0.959 -4.631 -15.051 1.00 0.00 C ATOM 0 HA PRO A 5 2.667 -3.412 -12.757 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.744 -2.715 -15.802 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.035 -3.463 -14.883 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.564 -5.089 -16.385 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.837 -5.597 -14.730 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.454 -4.119 -15.870 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.460 -5.591 -14.920 1.00 0.00 H new ATOM 84 N GLY A 6 1.255 -0.728 -13.665 1.00 0.00 N ATOM 85 CA GLY A 6 1.302 0.729 -13.464 1.00 0.00 C ATOM 86 C GLY A 6 0.068 1.342 -12.751 1.00 0.00 C ATOM 87 O GLY A 6 -0.987 1.627 -13.347 1.00 0.00 O ATOM 0 H GLY A 6 0.346 -1.063 -13.985 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.193 0.970 -12.884 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.415 1.209 -14.436 1.00 0.00 H new ATOM 91 N ARG A 7 0.193 1.633 -11.453 1.00 0.00 N ATOM 92 CA ARG A 7 -0.967 2.017 -10.587 1.00 0.00 C ATOM 93 C ARG A 7 -0.479 2.597 -9.192 1.00 0.00 C ATOM 94 O ARG A 7 0.331 1.946 -8.525 1.00 0.00 O ATOM 95 CB ARG A 7 -1.849 0.722 -10.402 1.00 0.00 C ATOM 96 CG ARG A 7 -3.042 0.825 -9.471 1.00 0.00 C ATOM 97 CD ARG A 7 -4.335 0.525 -10.151 1.00 0.00 C ATOM 98 NE ARG A 7 -5.466 0.890 -9.193 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.642 1.443 -9.464 1.00 0.00 C ATOM 100 NH1 ARG A 7 -6.931 1.794 -10.693 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.512 1.517 -8.573 1.00 0.00 N ATOM 0 H ARG A 7 1.086 1.615 -10.960 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.550 2.811 -11.053 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.211 0.417 -11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.204 -0.077 -10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.907 0.136 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.083 1.830 -9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.420 1.095 -11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.389 -0.530 -10.420 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.295 0.680 -8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.253 1.642 -11.440 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.834 2.219 -10.903 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.319 1.153 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.417 1.941 -8.778 1.00 0.00 H new ATOM 114 N CYS A 8 -0.820 3.908 -9.008 1.00 0.00 N ATOM 115 CA CYS A 8 -0.980 4.402 -7.589 1.00 0.00 C ATOM 116 C CYS A 8 -2.419 4.754 -7.209 1.00 0.00 C ATOM 117 O CYS A 8 -2.989 4.308 -6.230 1.00 0.00 O ATOM 118 CB CYS A 8 0.067 5.552 -7.377 1.00 0.00 C ATOM 119 SG CYS A 8 0.801 5.677 -5.744 1.00 0.00 S ATOM 0 H CYS A 8 -0.979 4.595 -9.745 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.767 3.597 -6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.870 5.420 -8.102 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.418 6.501 -7.607 1.00 0.00 H new ATOM 124 N THR A 9 -3.060 5.480 -8.152 1.00 0.00 N ATOM 125 CA THR A 9 -4.401 5.046 -8.628 1.00 0.00 C ATOM 126 C THR A 9 -4.373 4.897 -10.189 1.00 0.00 C ATOM 127 O THR A 9 -3.835 3.875 -10.618 1.00 0.00 O ATOM 128 CB THR A 9 -5.491 6.014 -8.048 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.318 5.997 -6.627 1.00 0.00 O ATOM 130 CG2 THR A 9 -6.952 5.572 -8.365 1.00 0.00 C ATOM 0 H THR A 9 -2.696 6.330 -8.584 1.00 0.00 H new ATOM 0 HA THR A 9 -4.674 4.058 -8.257 1.00 0.00 H new ATOM 0 HB THR A 9 -5.360 6.997 -8.500 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.639 5.332 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.651 6.288 -7.933 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.094 5.533 -9.445 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.134 4.585 -7.939 1.00 0.00 H new ATOM 138 N LEU A 10 -4.753 5.827 -11.059 1.00 0.00 N ATOM 139 CA LEU A 10 -4.676 5.727 -12.593 1.00 0.00 C ATOM 140 C LEU A 10 -3.235 6.042 -13.157 1.00 0.00 C ATOM 141 O LEU A 10 -2.273 6.289 -12.408 1.00 0.00 O ATOM 142 CB LEU A 10 -5.867 6.507 -13.227 1.00 0.00 C ATOM 143 CG LEU A 10 -6.021 8.024 -12.826 1.00 0.00 C ATOM 144 CD1 LEU A 10 -4.899 8.976 -13.038 1.00 0.00 C ATOM 145 CD2 LEU A 10 -7.220 8.620 -13.575 1.00 0.00 C ATOM 0 H LEU A 10 -5.142 6.718 -10.751 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.809 4.692 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.770 6.451 -14.311 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.790 5.991 -12.962 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.108 7.942 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.196 9.969 -12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.029 8.645 -12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.648 9.013 -14.098 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.334 9.669 -13.303 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.055 8.539 -14.649 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.125 8.075 -13.305 1.00 0.00 H new ATOM 157 N LYS A 11 -3.105 6.061 -14.478 1.00 0.00 N ATOM 158 CA LYS A 11 -1.871 6.491 -15.224 1.00 0.00 C ATOM 159 C LYS A 11 -1.288 8.006 -14.858 1.00 0.00 C ATOM 160 O LYS A 11 -1.880 8.801 -14.153 1.00 0.00 O ATOM 161 CB LYS A 11 -2.228 6.306 -16.778 1.00 0.00 C ATOM 162 CG LYS A 11 -1.920 5.047 -17.588 1.00 0.00 C ATOM 163 CD LYS A 11 -2.472 3.784 -16.962 1.00 0.00 C ATOM 164 CE LYS A 11 -2.131 2.491 -17.800 1.00 0.00 C ATOM 165 NZ LYS A 11 -0.908 1.859 -17.199 1.00 0.00 N ATOM 0 H LYS A 11 -3.861 5.775 -15.100 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.029 5.871 -14.917 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.303 6.466 -16.863 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.741 7.129 -17.301 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.333 5.158 -18.591 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.840 4.948 -17.697 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.069 3.676 -15.955 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.554 3.874 -16.865 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.968 1.793 -17.782 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.953 2.749 -18.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.661 1.002 -17.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.115 2.531 -17.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.099 1.605 -16.209 1.00 0.00 H new ATOM 178 N CYS A 12 -0.160 8.382 -15.442 1.00 0.00 N ATOM 179 CA CYS A 12 0.715 9.456 -14.830 1.00 0.00 C ATOM 180 C CYS A 12 0.620 10.878 -15.474 1.00 0.00 C ATOM 181 O CYS A 12 -0.117 11.111 -16.486 1.00 0.00 O ATOM 182 CB CYS A 12 2.297 9.028 -14.749 1.00 0.00 C ATOM 183 SG CYS A 12 2.877 8.921 -13.025 1.00 0.00 S ATOM 0 H CYS A 12 0.192 7.992 -16.316 1.00 0.00 H new ATOM 0 HA CYS A 12 0.290 9.535 -13.829 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.440 8.066 -15.242 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.900 9.757 -15.291 1.00 0.00 H new ATOM 188 N GLY A 13 1.203 11.881 -14.889 1.00 0.00 N ATOM 189 CA GLY A 13 0.766 13.284 -15.188 1.00 0.00 C ATOM 190 C GLY A 13 1.844 14.330 -14.822 1.00 0.00 C ATOM 191 O GLY A 13 2.609 14.749 -15.693 1.00 0.00 O ATOM 0 H GLY A 13 1.964 11.798 -14.215 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.527 13.369 -16.248 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.149 13.502 -14.637 1.00 0.00 H new ATOM 195 N LYS A 14 1.857 14.762 -13.555 1.00 0.00 N ATOM 196 CA LYS A 14 2.806 15.814 -12.995 1.00 0.00 C ATOM 197 C LYS A 14 4.380 15.498 -13.050 1.00 0.00 C ATOM 198 O LYS A 14 5.024 15.861 -14.003 1.00 0.00 O ATOM 199 CB LYS A 14 2.299 16.366 -11.690 1.00 0.00 C ATOM 200 CG LYS A 14 1.220 17.430 -11.802 1.00 0.00 C ATOM 201 CD LYS A 14 0.528 17.640 -10.508 1.00 0.00 C ATOM 202 CE LYS A 14 -0.840 18.288 -10.633 1.00 0.00 C ATOM 203 NZ LYS A 14 -1.475 18.265 -9.301 1.00 0.00 N ATOM 0 H LYS A 14 1.209 14.403 -12.854 1.00 0.00 H new ATOM 0 HA LYS A 14 2.775 16.626 -13.721 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.910 15.541 -11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.142 16.786 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.665 18.368 -12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.494 17.136 -12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.418 16.678 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.156 18.262 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.746 19.312 -10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.452 17.751 -11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.416 18.704 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.571 17.281 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.886 18.794 -8.627 1.00 0.00 H new ATOM 216 N HIS A 15 4.945 14.861 -11.983 1.00 0.00 N ATOM 217 CA HIS A 15 6.381 14.438 -11.998 1.00 0.00 C ATOM 218 C HIS A 15 6.386 12.860 -11.966 1.00 0.00 C ATOM 219 O HIS A 15 6.434 12.148 -10.933 1.00 0.00 O ATOM 220 CB HIS A 15 7.320 15.256 -11.045 1.00 0.00 C ATOM 221 CG HIS A 15 8.787 15.067 -11.429 1.00 0.00 C ATOM 222 ND1 HIS A 15 9.401 13.879 -11.194 1.00 0.00 N ATOM 223 CD2 HIS A 15 9.650 15.880 -12.124 1.00 0.00 C ATOM 224 CE1 HIS A 15 10.534 14.060 -11.883 1.00 0.00 C ATOM 225 NE2 HIS A 15 10.823 15.269 -12.442 1.00 0.00 N ATOM 0 H HIS A 15 4.446 14.633 -11.123 1.00 0.00 H new ATOM 0 HA HIS A 15 6.895 14.720 -12.917 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.061 16.314 -11.093 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.166 14.937 -10.014 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.420 16.901 -12.391 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.227 13.239 -11.997 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.649 15.606 -12.937 1.00 0.00 H new ATOM 233 N GLU A 16 6.354 12.254 -13.146 1.00 0.00 N ATOM 234 CA GLU A 16 5.963 10.808 -13.446 1.00 0.00 C ATOM 235 C GLU A 16 6.965 9.698 -12.993 1.00 0.00 C ATOM 236 O GLU A 16 8.064 9.454 -13.529 1.00 0.00 O ATOM 237 CB GLU A 16 5.683 10.805 -14.990 1.00 0.00 C ATOM 238 CG GLU A 16 4.647 11.816 -15.575 1.00 0.00 C ATOM 239 CD GLU A 16 4.227 11.615 -17.059 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.807 10.757 -17.747 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.255 12.474 -17.431 1.00 0.00 O ATOM 0 H GLU A 16 6.609 12.756 -13.997 1.00 0.00 H new ATOM 0 HA GLU A 16 5.097 10.526 -12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.633 10.977 -15.497 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.354 9.802 -15.262 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.748 11.775 -14.960 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.058 12.820 -15.472 1.00 0.00 H new ATOM 249 N ARG A 17 6.718 9.062 -11.849 1.00 0.00 N ATOM 250 CA ARG A 17 7.749 8.386 -10.972 1.00 0.00 C ATOM 251 C ARG A 17 7.447 6.869 -10.616 1.00 0.00 C ATOM 252 O ARG A 17 6.269 6.521 -10.440 1.00 0.00 O ATOM 253 CB ARG A 17 7.852 9.332 -9.674 1.00 0.00 C ATOM 254 CG ARG A 17 9.148 9.229 -8.719 1.00 0.00 C ATOM 255 CD ARG A 17 10.393 10.007 -9.224 1.00 0.00 C ATOM 256 NE ARG A 17 11.267 9.307 -10.217 1.00 0.00 N ATOM 257 CZ ARG A 17 12.374 8.702 -9.923 1.00 0.00 C ATOM 258 NH1 ARG A 17 12.774 8.523 -8.694 1.00 0.00 N ATOM 259 NH2 ARG A 17 12.980 8.095 -10.826 1.00 0.00 N ATOM 0 H ARG A 17 5.774 8.985 -11.470 1.00 0.00 H new ATOM 0 HA ARG A 17 8.697 8.293 -11.502 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.779 10.365 -10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.975 9.137 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.883 9.600 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.415 8.178 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.052 10.941 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.003 10.270 -8.360 1.00 0.00 H new ATOM 0 HE ARG A 17 10.970 9.306 -11.193 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.207 8.865 -7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.653 8.041 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.603 8.082 -11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.854 7.611 -10.618 1.00 0.00 H new ATOM 272 N PRO A 18 8.457 5.991 -10.379 1.00 0.00 N ATOM 273 CA PRO A 18 8.221 4.641 -9.733 1.00 0.00 C ATOM 274 C PRO A 18 8.294 4.749 -8.156 1.00 0.00 C ATOM 275 O PRO A 18 9.192 5.299 -7.568 1.00 0.00 O ATOM 276 CB PRO A 18 9.452 3.832 -10.137 1.00 0.00 C ATOM 277 CG PRO A 18 10.511 4.924 -10.470 1.00 0.00 C ATOM 278 CD PRO A 18 9.743 6.117 -11.057 1.00 0.00 C ATOM 0 HA PRO A 18 7.255 4.229 -10.026 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.787 3.181 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.249 3.194 -10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.058 5.219 -9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.245 4.547 -11.183 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.231 7.067 -10.840 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.645 6.050 -12.140 1.00 0.00 H new ATOM 286 N THR A 19 7.252 4.260 -7.403 1.00 0.00 N ATOM 287 CA THR A 19 7.360 4.036 -5.933 1.00 0.00 C ATOM 288 C THR A 19 7.247 5.262 -4.919 1.00 0.00 C ATOM 289 O THR A 19 6.801 5.010 -3.783 1.00 0.00 O ATOM 290 CB THR A 19 8.477 3.040 -5.583 1.00 0.00 C ATOM 291 OG1 THR A 19 8.341 1.815 -6.337 1.00 0.00 O ATOM 292 CG2 THR A 19 8.756 2.599 -4.189 1.00 0.00 C ATOM 0 H THR A 19 6.341 4.018 -7.793 1.00 0.00 H new ATOM 0 HA THR A 19 6.389 3.585 -5.729 1.00 0.00 H new ATOM 0 HB THR A 19 9.313 3.695 -5.830 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.963 1.144 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.588 1.895 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.013 3.464 -3.578 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.871 2.114 -3.777 1.00 0.00 H new ATOM 300 N LEU A 20 7.661 6.485 -5.133 1.00 0.00 N ATOM 301 CA LEU A 20 7.674 7.625 -4.146 1.00 0.00 C ATOM 302 C LEU A 20 6.183 8.270 -3.953 1.00 0.00 C ATOM 303 O LEU A 20 5.455 8.457 -4.972 1.00 0.00 O ATOM 304 CB LEU A 20 8.660 8.806 -4.495 1.00 0.00 C ATOM 305 CG LEU A 20 10.136 8.480 -4.885 1.00 0.00 C ATOM 306 CD1 LEU A 20 11.082 9.658 -4.961 1.00 0.00 C ATOM 307 CD2 LEU A 20 10.866 7.534 -3.871 1.00 0.00 C ATOM 0 H LEU A 20 8.027 6.767 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 20 8.031 7.157 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.220 9.367 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.689 9.474 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 20 9.967 8.035 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.076 9.309 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.723 10.365 -5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.130 10.150 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.886 7.354 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.888 8.003 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.332 6.586 -3.809 1.00 0.00 H new ATOM 319 N PRO A 21 5.671 8.679 -2.682 1.00 0.00 N ATOM 320 CA PRO A 21 4.412 9.476 -2.526 1.00 0.00 C ATOM 321 C PRO A 21 4.604 10.991 -2.812 1.00 0.00 C ATOM 322 O PRO A 21 5.243 11.738 -2.011 1.00 0.00 O ATOM 323 CB PRO A 21 3.990 9.010 -1.151 1.00 0.00 C ATOM 324 CG PRO A 21 5.285 8.831 -0.401 1.00 0.00 C ATOM 325 CD PRO A 21 6.251 8.208 -1.421 1.00 0.00 C ATOM 0 HA PRO A 21 3.613 9.319 -3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.347 9.742 -0.663 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.429 8.077 -1.203 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.662 9.784 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.153 8.183 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.275 8.555 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.272 7.120 -1.358 1.00 0.00 H new ATOM 333 N TYR A 22 4.411 11.484 -4.046 1.00 0.00 N ATOM 334 CA TYR A 22 5.335 12.498 -4.605 1.00 0.00 C ATOM 335 C TYR A 22 4.520 13.721 -5.228 1.00 0.00 C ATOM 336 O TYR A 22 4.333 14.771 -4.569 1.00 0.00 O ATOM 337 CB TYR A 22 6.458 11.615 -5.386 1.00 0.00 C ATOM 338 CG TYR A 22 7.509 12.375 -6.184 1.00 0.00 C ATOM 339 CD1 TYR A 22 8.720 12.703 -5.568 1.00 0.00 C ATOM 340 CD2 TYR A 22 7.406 12.274 -7.564 1.00 0.00 C ATOM 341 CE1 TYR A 22 9.800 12.953 -6.369 1.00 0.00 C ATOM 342 CE2 TYR A 22 8.502 12.618 -8.334 1.00 0.00 C ATOM 343 CZ TYR A 22 9.668 13.046 -7.744 1.00 0.00 C ATOM 344 OH TYR A 22 10.681 13.200 -8.557 1.00 0.00 O ATOM 0 H TYR A 22 3.648 11.210 -4.665 1.00 0.00 H new ATOM 0 HA TYR A 22 5.935 13.120 -3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.973 10.997 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.942 10.937 -6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.800 12.757 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.491 11.935 -8.026 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.774 13.080 -5.920 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.442 12.550 -9.410 1.00 0.00 H new ATOM 0 HH TYR A 22 10.351 13.415 -9.454 1.00 0.00 H new ATOM 354 N ASN A 23 4.339 13.582 -6.587 1.00 0.00 N ATOM 355 CA ASN A 23 3.925 14.674 -7.531 1.00 0.00 C ATOM 356 C ASN A 23 3.108 14.161 -8.689 1.00 0.00 C ATOM 357 O ASN A 23 1.906 14.463 -8.780 1.00 0.00 O ATOM 358 CB ASN A 23 5.289 15.266 -8.060 1.00 0.00 C ATOM 359 CG ASN A 23 6.096 16.204 -7.104 1.00 0.00 C ATOM 360 OD1 ASN A 23 5.786 17.356 -6.895 1.00 0.00 O ATOM 361 ND2 ASN A 23 7.324 15.809 -6.604 1.00 0.00 N ATOM 0 H ASN A 23 4.481 12.690 -7.061 1.00 0.00 H new ATOM 0 HA ASN A 23 3.293 15.406 -7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.934 14.430 -8.332 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.081 15.820 -8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.906 16.475 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.648 14.852 -6.744 1.00 0.00 H new ATOM 368 N CYS A 24 3.604 13.099 -9.377 1.00 0.00 N ATOM 369 CA CYS A 24 2.674 12.002 -9.757 1.00 0.00 C ATOM 370 C CYS A 24 2.408 11.097 -8.449 1.00 0.00 C ATOM 371 O CYS A 24 2.800 11.489 -7.379 1.00 0.00 O ATOM 372 CB CYS A 24 3.405 11.372 -10.984 1.00 0.00 C ATOM 373 SG CYS A 24 2.122 10.379 -11.830 1.00 0.00 S ATOM 0 H CYS A 24 4.575 12.979 -9.664 1.00 0.00 H new ATOM 0 HA CYS A 24 1.658 12.251 -10.064 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.808 12.141 -11.642 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.243 10.750 -10.669 1.00 0.00 H new ATOM 378 N GLY A 25 1.767 9.927 -8.579 1.00 0.00 N ATOM 379 CA GLY A 25 0.905 9.410 -7.478 1.00 0.00 C ATOM 380 C GLY A 25 1.420 9.358 -5.987 1.00 0.00 C ATOM 381 O GLY A 25 2.467 8.888 -5.640 1.00 0.00 O ATOM 0 H GLY A 25 1.818 9.328 -9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.005 10.010 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.617 8.394 -7.750 1.00 0.00 H new ATOM 385 N LYS A 26 0.598 9.908 -5.098 1.00 0.00 N ATOM 386 CA LYS A 26 0.758 9.731 -3.658 1.00 0.00 C ATOM 387 C LYS A 26 -0.267 8.646 -3.046 1.00 0.00 C ATOM 388 O LYS A 26 -1.149 8.983 -2.288 1.00 0.00 O ATOM 389 CB LYS A 26 0.627 11.217 -3.167 1.00 0.00 C ATOM 390 CG LYS A 26 1.107 11.562 -1.729 1.00 0.00 C ATOM 391 CD LYS A 26 0.967 13.119 -1.412 1.00 0.00 C ATOM 392 CE LYS A 26 -0.448 13.617 -1.292 1.00 0.00 C ATOM 393 NZ LYS A 26 -0.527 14.959 -0.667 1.00 0.00 N ATOM 0 H LYS A 26 -0.199 10.490 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 26 1.695 9.284 -3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.181 11.847 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.422 11.502 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.526 10.991 -1.005 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.148 11.260 -1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.492 13.334 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.469 13.682 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.902 13.654 -2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.030 12.910 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.522 15.256 -0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.119 14.921 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.005 15.642 -1.243 1.00 0.00 H new ATOM 406 N TYR A 27 -0.285 7.409 -3.511 1.00 0.00 N ATOM 407 CA TYR A 27 -1.322 6.415 -3.217 1.00 0.00 C ATOM 408 C TYR A 27 -0.800 4.917 -2.887 1.00 0.00 C ATOM 409 O TYR A 27 -0.375 4.721 -1.752 1.00 0.00 O ATOM 410 CB TYR A 27 -2.424 6.581 -4.319 1.00 0.00 C ATOM 411 CG TYR A 27 -3.168 7.918 -4.393 1.00 0.00 C ATOM 412 CD1 TYR A 27 -4.195 8.238 -3.527 1.00 0.00 C ATOM 413 CD2 TYR A 27 -2.866 8.819 -5.452 1.00 0.00 C ATOM 414 CE1 TYR A 27 -4.701 9.518 -3.501 1.00 0.00 C ATOM 415 CE2 TYR A 27 -3.462 10.059 -5.469 1.00 0.00 C ATOM 416 CZ TYR A 27 -4.317 10.447 -4.451 1.00 0.00 C ATOM 417 OH TYR A 27 -4.913 11.698 -4.411 1.00 0.00 O ATOM 0 H TYR A 27 0.445 7.049 -4.126 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.775 6.610 -2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.957 6.404 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.164 5.794 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.601 7.484 -2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.177 8.533 -6.233 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.405 9.799 -2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.261 10.737 -6.285 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.553 12.255 -5.133 1.00 0.00 H new ATOM 427 N ILE A 28 -0.720 3.925 -3.854 1.00 0.00 N ATOM 428 CA ILE A 28 -0.031 2.632 -3.637 1.00 0.00 C ATOM 429 C ILE A 28 0.952 2.331 -4.803 1.00 0.00 C ATOM 430 O ILE A 28 0.672 1.609 -5.805 1.00 0.00 O ATOM 431 CB ILE A 28 -1.010 1.473 -3.329 1.00 0.00 C ATOM 432 CG1 ILE A 28 -2.329 1.542 -4.166 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.393 1.222 -1.819 1.00 0.00 C ATOM 434 CD1 ILE A 28 -2.288 1.473 -5.725 1.00 0.00 C ATOM 0 H ILE A 28 -1.131 4.018 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 28 0.572 2.722 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.400 0.621 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.968 0.727 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.830 2.473 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.084 0.382 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.492 0.996 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.867 2.114 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.302 1.537 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.696 2.303 -6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.837 0.531 -6.036 1.00 0.00 H new ATOM 446 N CYS A 29 2.159 3.022 -4.857 1.00 0.00 N ATOM 447 CA CYS A 29 2.822 3.322 -6.225 1.00 0.00 C ATOM 448 C CYS A 29 3.555 2.102 -6.915 1.00 0.00 C ATOM 449 O CYS A 29 4.662 1.767 -6.496 1.00 0.00 O ATOM 450 CB CYS A 29 3.685 4.574 -5.903 1.00 0.00 C ATOM 451 SG CYS A 29 2.728 6.103 -5.707 1.00 0.00 S ATOM 0 H CYS A 29 2.670 3.364 -4.043 1.00 0.00 H new ATOM 0 HA CYS A 29 2.103 3.516 -7.021 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.246 4.389 -4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.414 4.714 -6.701 1.00 0.00 H new ATOM 456 N CYS A 30 3.109 1.520 -7.927 1.00 0.00 N ATOM 457 CA CYS A 30 3.866 0.891 -9.007 1.00 0.00 C ATOM 458 C CYS A 30 4.710 1.897 -9.870 1.00 0.00 C ATOM 459 O CYS A 30 5.661 2.461 -9.385 1.00 0.00 O ATOM 460 CB CYS A 30 2.872 0.022 -9.739 1.00 0.00 C ATOM 461 SG CYS A 30 2.889 -1.557 -8.776 1.00 0.00 S ATOM 0 H CYS A 30 2.104 1.438 -8.080 1.00 0.00 H new ATOM 0 HA CYS A 30 4.676 0.264 -8.633 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.880 0.472 -9.754 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.166 -0.137 -10.777 1.00 0.00 H new ATOM 466 N VAL A 31 4.328 2.216 -11.174 1.00 0.00 N ATOM 467 CA VAL A 31 5.068 3.174 -12.052 1.00 0.00 C ATOM 468 C VAL A 31 4.312 4.119 -13.072 1.00 0.00 C ATOM 469 O VAL A 31 4.511 5.342 -13.061 1.00 0.00 O ATOM 470 CB VAL A 31 6.453 2.585 -12.623 1.00 0.00 C ATOM 471 CG1 VAL A 31 6.396 1.284 -13.466 1.00 0.00 C ATOM 472 CG2 VAL A 31 7.364 3.586 -13.366 1.00 0.00 C ATOM 0 H VAL A 31 3.506 1.811 -11.622 1.00 0.00 H new ATOM 0 HA VAL A 31 5.275 3.928 -11.293 1.00 0.00 H new ATOM 0 HB VAL A 31 6.895 2.332 -11.659 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.403 1.010 -13.780 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.972 0.479 -12.865 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.773 1.447 -14.345 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.266 3.076 -13.704 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.833 3.992 -14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.638 4.398 -12.692 1.00 0.00 H new ATOM 482 N PRO A 32 3.277 3.673 -13.856 1.00 0.00 N ATOM 483 CA PRO A 32 2.153 4.674 -14.195 1.00 0.00 C ATOM 484 C PRO A 32 1.238 5.018 -12.940 1.00 0.00 C ATOM 485 O PRO A 32 0.047 4.767 -12.916 1.00 0.00 O ATOM 486 CB PRO A 32 1.476 4.025 -15.431 1.00 0.00 C ATOM 487 CG PRO A 32 2.502 3.129 -16.093 1.00 0.00 C ATOM 488 CD PRO A 32 3.570 2.852 -15.076 1.00 0.00 C ATOM 0 HA PRO A 32 2.488 5.681 -14.446 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.601 3.449 -15.131 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.131 4.791 -16.125 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.042 2.200 -16.430 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.925 3.613 -16.973 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.590 1.791 -14.825 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.552 3.104 -15.477 1.00 0.00 H new ATOM 496 N VAL A 33 1.896 5.660 -11.989 1.00 0.00 N ATOM 497 CA VAL A 33 1.322 6.303 -10.809 1.00 0.00 C ATOM 498 C VAL A 33 0.331 7.578 -10.932 1.00 0.00 C ATOM 499 O VAL A 33 0.604 8.424 -11.762 1.00 0.00 O ATOM 500 CB VAL A 33 2.561 6.503 -9.871 1.00 0.00 C ATOM 501 CG1 VAL A 33 3.329 5.204 -9.364 1.00 0.00 C ATOM 502 CG2 VAL A 33 3.638 7.605 -10.311 1.00 0.00 C ATOM 0 H VAL A 33 2.911 5.754 -12.019 1.00 0.00 H new ATOM 0 HA VAL A 33 0.539 5.653 -10.419 1.00 0.00 H new ATOM 0 HB VAL A 33 2.003 6.895 -9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.161 5.500 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.643 4.574 -8.798 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.709 4.648 -10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.442 7.642 -9.576 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.049 7.343 -11.286 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.156 8.581 -10.371 1.00 0.00 H new ATOM 512 N LYS A 34 -0.820 7.780 -10.201 1.00 0.00 N ATOM 513 CA LYS A 34 -1.732 8.979 -10.363 1.00 0.00 C ATOM 514 C LYS A 34 -1.158 10.450 -10.173 1.00 0.00 C ATOM 515 O LYS A 34 -0.551 11.044 -11.071 1.00 0.00 O ATOM 516 CB LYS A 34 -2.989 8.704 -9.460 1.00 0.00 C ATOM 517 CG LYS A 34 -4.262 9.510 -9.766 1.00 0.00 C ATOM 518 CD LYS A 34 -5.037 9.988 -8.538 1.00 0.00 C ATOM 519 CE LYS A 34 -6.493 10.424 -8.918 1.00 0.00 C ATOM 520 NZ LYS A 34 -7.060 11.155 -7.734 1.00 0.00 N ATOM 0 H LYS A 34 -1.141 7.124 -9.489 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.949 9.034 -11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.234 7.644 -9.535 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.709 8.894 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.988 10.379 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.923 8.897 -10.378 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.076 9.190 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.513 10.825 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.485 11.066 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.104 9.555 -9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.030 11.462 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.071 10.523 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.472 11.987 -7.525 1.00 0.00 H new ATOM 533 N VAL A 35 -1.473 11.152 -9.060 1.00 0.00 N ATOM 534 CA VAL A 35 -1.041 12.550 -8.798 1.00 0.00 C ATOM 535 C VAL A 35 -0.717 12.693 -7.299 1.00 0.00 C ATOM 536 O VAL A 35 -0.994 11.788 -6.466 1.00 0.00 O ATOM 537 CB VAL A 35 -2.003 13.726 -9.339 1.00 0.00 C ATOM 538 CG1 VAL A 35 -2.276 13.739 -10.829 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.274 13.771 -8.592 1.00 0.00 C ATOM 0 H VAL A 35 -2.041 10.761 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.150 12.706 -9.406 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.420 14.628 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.934 14.574 -11.071 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.336 13.849 -11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.755 12.804 -11.119 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.898 14.575 -8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.795 12.820 -8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.070 13.951 -7.537 1.00 0.00 H new ATOM 549 N LYS A 36 0.020 13.787 -6.930 1.00 0.00 N ATOM 550 CA LYS A 36 -0.126 14.437 -5.577 1.00 0.00 C ATOM 551 C LYS A 36 -1.569 14.921 -5.202 1.00 0.00 C ATOM 552 O LYS A 36 -1.973 16.027 -5.596 1.00 0.00 O ATOM 553 CB LYS A 36 1.089 15.191 -5.065 1.00 0.00 C ATOM 554 CG LYS A 36 1.201 16.677 -5.517 1.00 0.00 C ATOM 555 CD LYS A 36 2.534 17.334 -4.988 1.00 0.00 C ATOM 556 CE LYS A 36 2.758 18.780 -5.587 1.00 0.00 C ATOM 557 NZ LYS A 36 4.028 19.384 -5.022 1.00 0.00 N ATOM 558 OXT LYS A 36 -2.302 14.191 -4.279 1.00 0.00 O ATOM 0 H LYS A 36 0.710 14.233 -7.535 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.073 13.610 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.080 15.162 -3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.985 14.663 -5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.172 16.732 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.343 17.238 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.503 17.393 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.380 16.698 -5.249 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.823 18.726 -6.674 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.906 19.417 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.048 20.404 -5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.055 19.236 -3.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.854 18.927 -5.459 1.00 0.00 H new TER 572 LYS A 36