USER MOD reduce.3.24.130724 H: found=0, std=0, add=347, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 349 hydrogens (2 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 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= -1.02 (180deg=-2.86) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 151:sc= -3.34! (180deg=-5.45!) USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 0.974 (180deg=0.719) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0943) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.714 18.282 -2.818 1.00 0.00 N ATOM 2 CA LYS A 1 -4.569 17.515 -3.768 1.00 0.00 C ATOM 3 C LYS A 1 -5.406 16.500 -2.990 1.00 0.00 C ATOM 4 O LYS A 1 -4.899 15.525 -2.473 1.00 0.00 O ATOM 5 CB LYS A 1 -3.681 16.784 -4.777 1.00 0.00 C ATOM 6 CG LYS A 1 -3.050 17.802 -5.731 1.00 0.00 C ATOM 7 CD LYS A 1 -3.005 17.218 -7.145 1.00 0.00 C ATOM 8 CE LYS A 1 -2.246 15.890 -7.126 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.057 14.845 -7.812 1.00 0.00 N ATOM 0 H1 LYS A 1 -3.143 18.973 -3.345 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.317 18.781 -2.133 1.00 0.00 H new ATOM 0 H3 LYS A 1 -3.084 17.627 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.231 18.199 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -2.903 16.226 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -4.270 16.059 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -3.627 18.727 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -2.043 18.053 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.017 17.065 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -2.517 17.918 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.282 16.002 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -2.041 15.590 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.542 13.942 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.966 14.732 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.230 15.131 -8.797 1.00 0.00 H new ATOM 25 N TRP A 2 -6.686 16.725 -2.904 1.00 0.00 N ATOM 26 CA TRP A 2 -7.563 15.781 -2.159 1.00 0.00 C ATOM 27 C TRP A 2 -7.669 14.464 -2.929 1.00 0.00 C ATOM 28 O TRP A 2 -8.037 13.442 -2.384 1.00 0.00 O ATOM 29 CB TRP A 2 -8.953 16.400 -2.006 1.00 0.00 C ATOM 30 CG TRP A 2 -9.543 15.981 -0.697 1.00 0.00 C ATOM 31 CD1 TRP A 2 -8.975 16.189 0.513 1.00 0.00 C ATOM 32 CD2 TRP A 2 -10.802 15.291 -0.445 1.00 0.00 C ATOM 33 NE1 TRP A 2 -9.804 15.669 1.491 1.00 0.00 N ATOM 34 CE2 TRP A 2 -10.942 15.105 0.951 1.00 0.00 C ATOM 35 CE3 TRP A 2 -11.825 14.813 -1.284 1.00 0.00 C ATOM 36 CZ2 TRP A 2 -12.058 14.468 1.495 1.00 0.00 C ATOM 37 CZ3 TRP A 2 -12.949 14.170 -0.739 1.00 0.00 C ATOM 38 CH2 TRP A 2 -13.065 13.999 0.647 1.00 0.00 C ATOM 0 H TRP A 2 -7.164 17.525 -3.319 1.00 0.00 H new ATOM 0 HA TRP A 2 -7.139 15.587 -1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -8.887 17.487 -2.056 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -9.597 16.082 -2.826 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -8.029 16.681 0.687 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -9.599 15.699 2.490 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -11.746 14.941 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -12.143 14.338 2.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -13.728 13.805 -1.392 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -13.932 13.505 1.060 1.00 0.00 H new ATOM 49 N LYS A 3 -7.347 14.479 -4.192 1.00 0.00 N ATOM 50 CA LYS A 3 -7.429 13.226 -4.995 1.00 0.00 C ATOM 51 C LYS A 3 -6.374 12.239 -4.499 1.00 0.00 C ATOM 52 O LYS A 3 -6.504 11.042 -4.656 1.00 0.00 O ATOM 53 CB LYS A 3 -7.178 13.540 -6.472 1.00 0.00 C ATOM 54 CG LYS A 3 -7.744 14.921 -6.806 1.00 0.00 C ATOM 55 CD LYS A 3 -8.347 14.897 -8.212 1.00 0.00 C ATOM 56 CE LYS A 3 -9.500 15.900 -8.292 1.00 0.00 C ATOM 57 NZ LYS A 3 -9.895 16.087 -9.716 1.00 0.00 N ATOM 0 H LYS A 3 -7.031 15.303 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.422 12.790 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.109 13.513 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.646 12.782 -7.100 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -8.505 15.200 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.956 15.672 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.584 15.144 -8.950 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -8.706 13.895 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.350 15.541 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.198 16.853 -7.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.679 16.768 -9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.083 16.447 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -10.199 15.176 -10.114 1.00 0.00 H new ATOM 71 N VAL A 4 -5.330 12.737 -3.903 1.00 0.00 N ATOM 72 CA VAL A 4 -4.258 11.836 -3.394 1.00 0.00 C ATOM 73 C VAL A 4 -4.839 10.896 -2.340 1.00 0.00 C ATOM 74 O VAL A 4 -4.403 9.772 -2.186 1.00 0.00 O ATOM 75 CB VAL A 4 -3.138 12.674 -2.775 1.00 0.00 C ATOM 76 CG1 VAL A 4 -2.165 11.758 -2.030 1.00 0.00 C ATOM 77 CG2 VAL A 4 -2.387 13.416 -3.883 1.00 0.00 C ATOM 0 H VAL A 4 -5.171 13.732 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.855 11.248 -4.219 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.567 13.393 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.367 12.356 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.697 11.226 -1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.736 11.039 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.588 14.014 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.959 12.694 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.078 14.069 -4.416 1.00 0.00 H new ATOM 87 N PHE A 5 -5.818 11.348 -1.613 1.00 0.00 N ATOM 88 CA PHE A 5 -6.431 10.483 -0.566 1.00 0.00 C ATOM 89 C PHE A 5 -7.035 9.245 -1.218 1.00 0.00 C ATOM 90 O PHE A 5 -7.107 8.188 -0.622 1.00 0.00 O ATOM 91 CB PHE A 5 -7.523 11.261 0.172 1.00 0.00 C ATOM 92 CG PHE A 5 -7.056 11.588 1.570 1.00 0.00 C ATOM 93 CD1 PHE A 5 -5.966 12.444 1.762 1.00 0.00 C ATOM 94 CD2 PHE A 5 -7.714 11.033 2.676 1.00 0.00 C ATOM 95 CE1 PHE A 5 -5.533 12.748 3.058 1.00 0.00 C ATOM 96 CE2 PHE A 5 -7.281 11.338 3.973 1.00 0.00 C ATOM 97 CZ PHE A 5 -6.191 12.195 4.164 1.00 0.00 C ATOM 0 H PHE A 5 -6.223 12.281 -1.697 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.664 10.179 0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.758 12.178 -0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.439 10.672 0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.458 12.871 0.910 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.554 10.371 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.692 13.409 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.788 10.912 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.857 12.430 5.164 1.00 0.00 H new ATOM 107 N LYS A 6 -7.460 9.360 -2.440 1.00 0.00 N ATOM 108 CA LYS A 6 -8.046 8.180 -3.127 1.00 0.00 C ATOM 109 C LYS A 6 -6.956 7.137 -3.321 1.00 0.00 C ATOM 110 O LYS A 6 -7.194 5.947 -3.253 1.00 0.00 O ATOM 111 CB LYS A 6 -8.615 8.595 -4.486 1.00 0.00 C ATOM 112 CG LYS A 6 -10.143 8.602 -4.418 1.00 0.00 C ATOM 113 CD LYS A 6 -10.709 9.288 -5.662 1.00 0.00 C ATOM 114 CE LYS A 6 -12.236 9.220 -5.633 1.00 0.00 C ATOM 115 NZ LYS A 6 -12.728 8.531 -6.859 1.00 0.00 N ATOM 0 H LYS A 6 -7.428 10.217 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.853 7.766 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.248 9.584 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.278 7.905 -5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.519 7.581 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.475 9.123 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.381 10.327 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.330 8.803 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.570 8.685 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.654 10.225 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.767 8.485 -6.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.421 9.059 -7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.340 7.567 -6.895 1.00 0.00 H new ATOM 129 N LYS A 7 -5.753 7.576 -3.537 1.00 0.00 N ATOM 130 CA LYS A 7 -4.635 6.615 -3.708 1.00 0.00 C ATOM 131 C LYS A 7 -4.362 5.965 -2.361 1.00 0.00 C ATOM 132 O LYS A 7 -3.994 4.811 -2.268 1.00 0.00 O ATOM 133 CB LYS A 7 -3.386 7.348 -4.202 1.00 0.00 C ATOM 134 CG LYS A 7 -3.471 7.537 -5.717 1.00 0.00 C ATOM 135 CD LYS A 7 -2.108 7.980 -6.254 1.00 0.00 C ATOM 136 CE LYS A 7 -2.269 8.517 -7.676 1.00 0.00 C ATOM 137 NZ LYS A 7 -1.096 9.368 -8.022 1.00 0.00 N ATOM 0 H LYS A 7 -5.495 8.561 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.898 5.856 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.300 8.316 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.492 6.779 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.776 6.605 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.229 8.282 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.684 8.750 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.413 7.141 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.352 7.690 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.188 9.097 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.206 9.733 -8.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.036 10.164 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.226 8.801 -7.963 1.00 0.00 H new ATOM 151 N ILE A 8 -4.569 6.704 -1.314 1.00 0.00 N ATOM 152 CA ILE A 8 -4.359 6.152 0.046 1.00 0.00 C ATOM 153 C ILE A 8 -5.519 5.217 0.353 1.00 0.00 C ATOM 154 O ILE A 8 -5.383 4.229 1.045 1.00 0.00 O ATOM 155 CB ILE A 8 -4.333 7.290 1.067 1.00 0.00 C ATOM 156 CG1 ILE A 8 -3.034 8.084 0.910 1.00 0.00 C ATOM 157 CG2 ILE A 8 -4.410 6.709 2.479 1.00 0.00 C ATOM 158 CD1 ILE A 8 -2.872 9.038 2.094 1.00 0.00 C ATOM 0 H ILE A 8 -4.878 7.676 -1.342 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.411 5.616 0.097 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.184 7.950 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.184 7.404 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.050 8.646 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.391 7.520 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.335 6.143 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.559 6.050 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.947 9.603 1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.716 9.727 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.837 8.465 3.021 1.00 0.00 H new ATOM 170 N GLU A 9 -6.665 5.542 -0.166 1.00 0.00 N ATOM 171 CA GLU A 9 -7.868 4.696 0.073 1.00 0.00 C ATOM 172 C GLU A 9 -7.670 3.330 -0.575 1.00 0.00 C ATOM 173 O GLU A 9 -7.906 2.302 0.027 1.00 0.00 O ATOM 174 CB GLU A 9 -9.101 5.375 -0.529 1.00 0.00 C ATOM 175 CG GLU A 9 -9.651 6.407 0.458 1.00 0.00 C ATOM 176 CD GLU A 9 -10.196 7.611 -0.313 1.00 0.00 C ATOM 177 OE1 GLU A 9 -11.328 7.540 -0.761 1.00 0.00 O ATOM 178 OE2 GLU A 9 -9.471 8.585 -0.441 1.00 0.00 O ATOM 0 H GLU A 9 -6.824 6.363 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.013 4.569 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.839 5.860 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.864 4.631 -0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.440 5.962 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.865 6.726 1.143 1.00 0.00 H new ATOM 185 N LYS A 10 -7.236 3.313 -1.798 1.00 0.00 N ATOM 186 CA LYS A 10 -7.018 2.013 -2.496 1.00 0.00 C ATOM 187 C LYS A 10 -5.737 1.365 -1.973 1.00 0.00 C ATOM 188 O LYS A 10 -5.563 0.164 -2.045 1.00 0.00 O ATOM 189 CB LYS A 10 -6.897 2.248 -4.003 1.00 0.00 C ATOM 190 CG LYS A 10 -6.467 0.948 -4.687 1.00 0.00 C ATOM 191 CD LYS A 10 -6.504 1.128 -6.205 1.00 0.00 C ATOM 192 CE LYS A 10 -5.647 0.047 -6.865 1.00 0.00 C ATOM 193 NZ LYS A 10 -5.641 0.247 -8.342 1.00 0.00 N ATOM 0 H LYS A 10 -7.021 4.143 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.864 1.353 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.851 2.586 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.169 3.035 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.462 0.673 -4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.129 0.134 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.531 1.064 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.133 2.117 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.629 0.089 -6.478 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.039 -0.941 -6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.058 -0.489 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.614 0.186 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.247 1.184 -8.564 1.00 0.00 H new ATOM 207 N LYS A 11 -4.843 2.149 -1.444 1.00 0.00 N ATOM 208 CA LYS A 11 -3.574 1.581 -0.908 1.00 0.00 C ATOM 209 C LYS A 11 -3.857 0.897 0.426 1.00 0.00 C ATOM 210 O LYS A 11 -3.181 -0.033 0.818 1.00 0.00 O ATOM 211 CB LYS A 11 -2.551 2.701 -0.706 1.00 0.00 C ATOM 212 CG LYS A 11 -1.571 2.713 -1.881 1.00 0.00 C ATOM 213 CD LYS A 11 -0.171 2.345 -1.384 1.00 0.00 C ATOM 214 CE LYS A 11 0.177 0.928 -1.843 1.00 0.00 C ATOM 215 NZ LYS A 11 1.483 0.944 -2.561 1.00 0.00 N ATOM 0 H LYS A 11 -4.935 3.161 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.171 0.855 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.058 3.663 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.012 2.552 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.894 2.006 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.556 3.699 -2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.562 3.054 -1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.132 2.406 -0.296 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.230 0.259 -0.984 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.605 0.544 -2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.719 -0.020 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.416 1.570 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.226 1.293 -1.922 1.00 0.00 H new ATOM 229 N TRP A 12 -4.856 1.350 1.123 1.00 0.00 N ATOM 230 CA TRP A 12 -5.194 0.729 2.433 1.00 0.00 C ATOM 231 C TRP A 12 -5.960 -0.571 2.196 1.00 0.00 C ATOM 232 O TRP A 12 -5.632 -1.607 2.738 1.00 0.00 O ATOM 233 CB TRP A 12 -6.059 1.692 3.246 1.00 0.00 C ATOM 234 CG TRP A 12 -5.180 2.576 4.072 1.00 0.00 C ATOM 235 CD1 TRP A 12 -5.282 3.924 4.144 1.00 0.00 C ATOM 236 CD2 TRP A 12 -4.071 2.204 4.941 1.00 0.00 C ATOM 237 NE1 TRP A 12 -4.307 4.400 5.001 1.00 0.00 N ATOM 238 CE2 TRP A 12 -3.537 3.379 5.519 1.00 0.00 C ATOM 239 CE3 TRP A 12 -3.485 0.971 5.281 1.00 0.00 C ATOM 240 CZ2 TRP A 12 -2.458 3.334 6.402 1.00 0.00 C ATOM 241 CZ3 TRP A 12 -2.399 0.922 6.170 1.00 0.00 C ATOM 242 CH2 TRP A 12 -1.887 2.101 6.730 1.00 0.00 C ATOM 0 H TRP A 12 -5.456 2.126 0.843 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.277 0.515 2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.676 2.295 2.579 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.738 1.133 3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.006 4.528 3.618 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.173 5.386 5.223 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.873 0.057 4.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.067 4.245 6.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.956 -0.029 6.424 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.052 2.057 7.414 1.00 0.00 H new ATOM 253 N LYS A 13 -6.975 -0.519 1.384 1.00 0.00 N ATOM 254 CA LYS A 13 -7.771 -1.747 1.105 1.00 0.00 C ATOM 255 C LYS A 13 -6.850 -2.823 0.538 1.00 0.00 C ATOM 256 O LYS A 13 -7.061 -4.005 0.733 1.00 0.00 O ATOM 257 CB LYS A 13 -8.870 -1.427 0.089 1.00 0.00 C ATOM 258 CG LYS A 13 -9.656 -2.701 -0.230 1.00 0.00 C ATOM 259 CD LYS A 13 -9.654 -2.939 -1.741 1.00 0.00 C ATOM 260 CE LYS A 13 -8.879 -4.219 -2.058 1.00 0.00 C ATOM 261 NZ LYS A 13 -7.498 -3.868 -2.497 1.00 0.00 N ATOM 0 H LYS A 13 -7.290 0.322 0.900 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.228 -2.104 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.539 -0.665 0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.431 -1.020 -0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.211 -3.553 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.680 -2.609 0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.677 -3.021 -2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.199 -2.091 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.840 -4.861 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.389 -4.781 -2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.842 -4.625 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.480 -3.758 -3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.208 -2.975 -2.049 1.00 0.00 H new ATOM 275 N VAL A 14 -5.823 -2.422 -0.149 1.00 0.00 N ATOM 276 CA VAL A 14 -4.874 -3.417 -0.718 1.00 0.00 C ATOM 277 C VAL A 14 -3.877 -3.813 0.367 1.00 0.00 C ATOM 278 O VAL A 14 -3.414 -4.934 0.427 1.00 0.00 O ATOM 279 CB VAL A 14 -4.131 -2.806 -1.909 1.00 0.00 C ATOM 280 CG1 VAL A 14 -3.215 -1.684 -1.421 1.00 0.00 C ATOM 281 CG2 VAL A 14 -3.291 -3.886 -2.594 1.00 0.00 C ATOM 0 H VAL A 14 -5.597 -1.446 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.419 -4.296 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.854 -2.402 -2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.687 -1.250 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.812 -0.914 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.492 -2.087 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.762 -3.452 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.569 -4.290 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.943 -4.686 -2.944 1.00 0.00 H new ATOM 291 N PHE A 15 -3.551 -2.894 1.228 1.00 0.00 N ATOM 292 CA PHE A 15 -2.588 -3.199 2.323 1.00 0.00 C ATOM 293 C PHE A 15 -3.175 -4.281 3.226 1.00 0.00 C ATOM 294 O PHE A 15 -2.475 -5.140 3.724 1.00 0.00 O ATOM 295 CB PHE A 15 -2.331 -1.933 3.142 1.00 0.00 C ATOM 296 CG PHE A 15 -0.870 -1.863 3.517 1.00 0.00 C ATOM 297 CD1 PHE A 15 -0.414 -2.514 4.670 1.00 0.00 C ATOM 298 CD2 PHE A 15 0.026 -1.151 2.713 1.00 0.00 C ATOM 299 CE1 PHE A 15 0.941 -2.450 5.019 1.00 0.00 C ATOM 300 CE2 PHE A 15 1.380 -1.087 3.061 1.00 0.00 C ATOM 301 CZ PHE A 15 1.838 -1.737 4.214 1.00 0.00 C ATOM 0 H PHE A 15 -3.911 -1.940 1.222 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.649 -3.551 1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.612 -1.051 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.948 -1.937 4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.106 -3.065 5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.327 -0.651 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.294 -2.950 5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.072 -0.536 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.883 -1.688 4.482 1.00 0.00 H new ATOM 311 N LYS A 16 -4.458 -4.245 3.436 1.00 0.00 N ATOM 312 CA LYS A 16 -5.105 -5.267 4.304 1.00 0.00 C ATOM 313 C LYS A 16 -4.928 -6.647 3.674 1.00 0.00 C ATOM 314 O LYS A 16 -4.833 -7.647 4.356 1.00 0.00 O ATOM 315 CB LYS A 16 -6.596 -4.953 4.444 1.00 0.00 C ATOM 316 CG LYS A 16 -7.251 -5.983 5.366 1.00 0.00 C ATOM 317 CD LYS A 16 -7.717 -7.184 4.542 1.00 0.00 C ATOM 318 CE LYS A 16 -9.239 -7.144 4.395 1.00 0.00 C ATOM 319 NZ LYS A 16 -9.629 -7.756 3.093 1.00 0.00 N ATOM 0 H LYS A 16 -5.091 -3.549 3.042 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.642 -5.254 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.731 -3.950 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.075 -4.969 3.465 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.543 -6.305 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.098 -5.535 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.246 -7.169 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.412 -8.111 5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.709 -7.683 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.593 -6.114 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.664 -7.729 2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.192 -7.223 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.304 -8.743 3.062 1.00 0.00 H new ATOM 333 N LYS A 17 -4.881 -6.702 2.375 1.00 0.00 N ATOM 334 CA LYS A 17 -4.706 -8.012 1.689 1.00 0.00 C ATOM 335 C LYS A 17 -3.290 -8.521 1.933 1.00 0.00 C ATOM 336 O LYS A 17 -3.074 -9.675 2.243 1.00 0.00 O ATOM 337 CB LYS A 17 -4.934 -7.839 0.185 1.00 0.00 C ATOM 338 CG LYS A 17 -6.181 -6.985 -0.049 1.00 0.00 C ATOM 339 CD LYS A 17 -7.060 -7.651 -1.111 1.00 0.00 C ATOM 340 CE LYS A 17 -6.337 -7.631 -2.459 1.00 0.00 C ATOM 341 NZ LYS A 17 -5.296 -8.697 -2.479 1.00 0.00 N ATOM 0 H LYS A 17 -4.956 -5.895 1.756 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.427 -8.729 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.065 -7.366 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.053 -8.813 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.738 -6.872 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.895 -5.984 -0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.283 -8.678 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.013 -7.128 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.050 -7.788 -3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.878 -6.656 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.153 -9.024 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.402 -8.317 -2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.605 -9.495 -1.888 1.00 0.00 H new ATOM 355 N ILE A 18 -2.325 -7.663 1.793 1.00 0.00 N ATOM 356 CA ILE A 18 -0.912 -8.080 2.014 1.00 0.00 C ATOM 357 C ILE A 18 -0.651 -8.221 3.507 1.00 0.00 C ATOM 358 O ILE A 18 0.185 -8.994 3.930 1.00 0.00 O ATOM 359 CB ILE A 18 0.034 -7.034 1.421 1.00 0.00 C ATOM 360 CG1 ILE A 18 1.465 -7.578 1.430 1.00 0.00 C ATOM 361 CG2 ILE A 18 -0.028 -5.755 2.259 1.00 0.00 C ATOM 362 CD1 ILE A 18 1.827 -8.086 0.034 1.00 0.00 C ATOM 0 H ILE A 18 -2.452 -6.685 1.534 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.737 -9.038 1.525 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.266 -6.813 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.160 -6.796 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.554 -8.386 2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.646 -5.010 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.046 -5.367 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.272 -5.976 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.846 -8.473 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.139 -8.881 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.755 -7.267 -0.681 1.00 0.00 H new ATOM 374 N GLU A 19 -1.362 -7.492 4.312 1.00 0.00 N ATOM 375 CA GLU A 19 -1.151 -7.605 5.777 1.00 0.00 C ATOM 376 C GLU A 19 -1.313 -9.067 6.174 1.00 0.00 C ATOM 377 O GLU A 19 -0.551 -9.605 6.954 1.00 0.00 O ATOM 378 CB GLU A 19 -2.183 -6.749 6.515 1.00 0.00 C ATOM 379 CG GLU A 19 -1.534 -6.117 7.749 1.00 0.00 C ATOM 380 CD GLU A 19 -1.475 -4.598 7.573 1.00 0.00 C ATOM 381 OE1 GLU A 19 -2.528 -3.981 7.565 1.00 0.00 O ATOM 382 OE2 GLU A 19 -0.379 -4.078 7.450 1.00 0.00 O ATOM 0 H GLU A 19 -2.077 -6.825 4.022 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.153 -7.254 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.566 -5.971 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.034 -7.362 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.105 -6.368 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.530 -6.517 7.890 1.00 0.00 H new ATOM 389 N LYS A 20 -2.293 -9.717 5.622 1.00 0.00 N ATOM 390 CA LYS A 20 -2.517 -11.153 5.943 1.00 0.00 C ATOM 391 C LYS A 20 -1.450 -11.987 5.239 1.00 0.00 C ATOM 392 O LYS A 20 -1.152 -13.098 5.630 1.00 0.00 O ATOM 393 CB LYS A 20 -3.905 -11.577 5.460 1.00 0.00 C ATOM 394 CG LYS A 20 -4.134 -13.050 5.802 1.00 0.00 C ATOM 395 CD LYS A 20 -4.290 -13.205 7.317 1.00 0.00 C ATOM 396 CE LYS A 20 -3.632 -14.510 7.766 1.00 0.00 C ATOM 397 NZ LYS A 20 -2.150 -14.382 7.664 1.00 0.00 N ATOM 0 H LYS A 20 -2.954 -9.315 4.958 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.454 -11.306 7.020 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.670 -10.960 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.990 -11.425 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.026 -13.418 5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.296 -13.651 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.831 -12.359 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.346 -13.206 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.918 -14.739 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.980 -15.337 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.749 -15.270 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.913 -13.604 7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.753 -14.182 8.604 1.00 0.00 H new ATOM 411 N ALA A 21 -0.865 -11.449 4.209 1.00 0.00 N ATOM 412 CA ALA A 21 0.194 -12.194 3.478 1.00 0.00 C ATOM 413 C ALA A 21 1.562 -11.751 4.000 1.00 0.00 C ATOM 414 O ALA A 21 2.582 -12.315 3.656 1.00 0.00 O ATOM 415 CB ALA A 21 0.094 -11.890 1.982 1.00 0.00 C ATOM 0 H ALA A 21 -1.075 -10.522 3.840 1.00 0.00 H new ATOM 0 HA ALA A 21 0.068 -13.265 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.871 -12.436 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.885 -12.196 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.225 -10.820 1.819 1.00 0.00 H new ATOM 421 N GLY A 22 1.590 -10.744 4.833 1.00 0.00 N ATOM 422 CA GLY A 22 2.890 -10.266 5.381 1.00 0.00 C ATOM 423 C GLY A 22 2.885 -10.427 6.904 1.00 0.00 C ATOM 424 O GLY A 22 2.538 -9.508 7.620 1.00 0.00 O ATOM 0 H GLY A 22 0.768 -10.233 5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.712 -10.834 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.048 -9.221 5.114 1.00 0.00 H new ATOM 428 N PRO A 23 3.270 -11.594 7.351 1.00 0.00 N ATOM 429 CA PRO A 23 3.322 -11.921 8.786 1.00 0.00 C ATOM 430 C PRO A 23 4.583 -11.332 9.426 1.00 0.00 C ATOM 431 O PRO A 23 5.265 -11.987 10.190 1.00 0.00 O ATOM 432 CB PRO A 23 3.366 -13.451 8.803 1.00 0.00 C ATOM 433 CG PRO A 23 3.907 -13.888 7.421 1.00 0.00 C ATOM 434 CD PRO A 23 3.688 -12.700 6.465 1.00 0.00 C ATOM 0 HA PRO A 23 2.481 -11.516 9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.011 -13.812 9.604 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.374 -13.866 8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.964 -14.145 7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.384 -14.775 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.600 -12.452 5.922 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.924 -12.924 5.720 1.00 0.00 H new ATOM 442 N LYS A 24 4.900 -10.103 9.123 1.00 0.00 N ATOM 443 CA LYS A 24 6.113 -9.479 9.720 1.00 0.00 C ATOM 444 C LYS A 24 5.867 -9.223 11.207 1.00 0.00 C ATOM 445 O LYS A 24 6.775 -8.908 11.951 1.00 0.00 O ATOM 446 CB LYS A 24 6.407 -8.155 9.014 1.00 0.00 C ATOM 447 CG LYS A 24 7.676 -7.533 9.601 1.00 0.00 C ATOM 448 CD LYS A 24 8.215 -6.471 8.643 1.00 0.00 C ATOM 449 CE LYS A 24 9.584 -6.903 8.117 1.00 0.00 C ATOM 450 NZ LYS A 24 10.405 -5.696 7.818 1.00 0.00 N ATOM 0 H LYS A 24 4.371 -9.505 8.488 1.00 0.00 H new ATOM 0 HA LYS A 24 6.965 -10.148 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.532 -8.321 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.566 -7.472 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.459 -7.086 10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.428 -8.304 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.523 -6.331 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.297 -5.512 9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.089 -7.526 8.855 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.466 -7.507 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.336 -5.990 7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.924 -5.118 7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.528 -5.136 8.686 1.00 0.00 H new ATOM 464 N TRP A 25 4.645 -9.356 11.647 1.00 0.00 N ATOM 465 CA TRP A 25 4.346 -9.121 13.086 1.00 0.00 C ATOM 466 C TRP A 25 5.007 -10.214 13.925 1.00 0.00 C ATOM 467 O TRP A 25 5.116 -10.106 15.131 1.00 0.00 O ATOM 468 CB TRP A 25 2.833 -9.148 13.307 1.00 0.00 C ATOM 469 CG TRP A 25 2.346 -7.765 13.594 1.00 0.00 C ATOM 470 CD1 TRP A 25 1.285 -7.174 13.000 1.00 0.00 C ATOM 471 CD2 TRP A 25 2.883 -6.790 14.535 1.00 0.00 C ATOM 472 NE1 TRP A 25 1.136 -5.899 13.514 1.00 0.00 N ATOM 473 CE2 TRP A 25 2.098 -5.615 14.463 1.00 0.00 C ATOM 474 CE3 TRP A 25 3.966 -6.810 15.433 1.00 0.00 C ATOM 475 CZ2 TRP A 25 2.376 -4.500 15.257 1.00 0.00 C ATOM 476 CZ3 TRP A 25 4.248 -5.690 16.233 1.00 0.00 C ATOM 477 CH2 TRP A 25 3.454 -4.537 16.143 1.00 0.00 C ATOM 0 H TRP A 25 3.843 -9.617 11.073 1.00 0.00 H new ATOM 0 HA TRP A 25 4.735 -8.148 13.385 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.333 -9.545 12.424 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.588 -9.811 14.137 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.656 -7.625 12.246 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.405 -5.248 13.227 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.585 -7.692 15.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 1.761 -3.615 15.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.080 -5.717 16.921 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.677 -3.678 16.759 1.00 0.00 H new ATOM 488 N LYS A 26 5.453 -11.268 13.298 1.00 0.00 N ATOM 489 CA LYS A 26 6.111 -12.365 14.059 1.00 0.00 C ATOM 490 C LYS A 26 7.578 -12.004 14.293 1.00 0.00 C ATOM 491 O LYS A 26 8.249 -12.589 15.121 1.00 0.00 O ATOM 492 CB LYS A 26 6.025 -13.668 13.261 1.00 0.00 C ATOM 493 CG LYS A 26 6.922 -13.572 12.026 1.00 0.00 C ATOM 494 CD LYS A 26 6.536 -14.669 11.031 1.00 0.00 C ATOM 495 CE LYS A 26 7.776 -15.112 10.254 1.00 0.00 C ATOM 496 NZ LYS A 26 8.006 -14.183 9.113 1.00 0.00 N ATOM 0 H LYS A 26 5.390 -11.416 12.291 1.00 0.00 H new ATOM 0 HA LYS A 26 5.609 -12.498 15.017 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.334 -14.508 13.883 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.994 -13.855 12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.817 -12.591 11.562 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.968 -13.678 12.314 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.102 -15.518 11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.775 -14.300 10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.646 -15.120 10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.644 -16.130 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.849 -14.484 8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.179 -14.196 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.150 -13.218 9.474 1.00 0.00 H new ATOM 510 N VAL A 27 8.079 -11.039 13.573 1.00 0.00 N ATOM 511 CA VAL A 27 9.499 -10.633 13.754 1.00 0.00 C ATOM 512 C VAL A 27 9.622 -9.793 15.023 1.00 0.00 C ATOM 513 O VAL A 27 10.622 -9.825 15.711 1.00 0.00 O ATOM 514 CB VAL A 27 9.956 -9.813 12.545 1.00 0.00 C ATOM 515 CG1 VAL A 27 11.314 -9.174 12.844 1.00 0.00 C ATOM 516 CG2 VAL A 27 10.085 -10.733 11.328 1.00 0.00 C ATOM 0 H VAL A 27 7.565 -10.514 12.866 1.00 0.00 H new ATOM 0 HA VAL A 27 10.126 -11.520 13.842 1.00 0.00 H new ATOM 0 HB VAL A 27 9.225 -9.032 12.338 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.639 -8.590 11.983 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.226 -8.521 13.712 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.046 -9.955 13.050 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.410 -10.152 10.465 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.817 -11.513 11.537 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.119 -11.191 11.114 1.00 0.00 H new ATOM 526 N PHE A 28 8.605 -9.045 15.339 1.00 0.00 N ATOM 527 CA PHE A 28 8.646 -8.204 16.566 1.00 0.00 C ATOM 528 C PHE A 28 8.547 -9.106 17.794 1.00 0.00 C ATOM 529 O PHE A 28 9.092 -8.816 18.841 1.00 0.00 O ATOM 530 CB PHE A 28 7.470 -7.225 16.559 1.00 0.00 C ATOM 531 CG PHE A 28 7.770 -6.078 15.624 1.00 0.00 C ATOM 532 CD1 PHE A 28 7.675 -6.261 14.239 1.00 0.00 C ATOM 533 CD2 PHE A 28 8.141 -4.831 16.141 1.00 0.00 C ATOM 534 CE1 PHE A 28 7.950 -5.198 13.372 1.00 0.00 C ATOM 535 CE2 PHE A 28 8.416 -3.768 15.274 1.00 0.00 C ATOM 536 CZ PHE A 28 8.320 -3.950 13.889 1.00 0.00 C ATOM 0 H PHE A 28 7.743 -8.979 14.798 1.00 0.00 H new ATOM 0 HA PHE A 28 9.581 -7.644 16.593 1.00 0.00 H new ATOM 0 HB2 PHE A 28 6.560 -7.736 16.243 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.291 -6.849 17.566 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.389 -7.223 13.840 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.215 -4.690 17.209 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.877 -5.340 12.304 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.703 -2.806 15.673 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.531 -3.129 13.220 1.00 0.00 H new ATOM 546 N LYS A 29 7.854 -10.200 17.668 1.00 0.00 N ATOM 547 CA LYS A 29 7.714 -11.134 18.820 1.00 0.00 C ATOM 548 C LYS A 29 8.995 -11.951 18.962 1.00 0.00 C ATOM 549 O LYS A 29 9.406 -12.305 20.050 1.00 0.00 O ATOM 550 CB LYS A 29 6.531 -12.074 18.575 1.00 0.00 C ATOM 551 CG LYS A 29 5.516 -11.929 19.710 1.00 0.00 C ATOM 552 CD LYS A 29 4.868 -13.286 19.993 1.00 0.00 C ATOM 553 CE LYS A 29 4.951 -13.590 21.490 1.00 0.00 C ATOM 554 NZ LYS A 29 3.618 -13.364 22.118 1.00 0.00 N ATOM 0 H LYS A 29 7.376 -10.490 16.815 1.00 0.00 H new ATOM 0 HA LYS A 29 7.539 -10.566 19.734 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.060 -11.840 17.620 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.879 -13.105 18.515 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.009 -11.556 20.607 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.753 -11.199 19.439 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.827 -13.278 19.670 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.372 -14.067 19.424 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.268 -14.621 21.645 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.699 -12.952 21.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.674 -13.571 23.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.333 -12.373 21.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.915 -13.990 21.676 1.00 0.00 H new ATOM 568 N LYS A 30 9.629 -12.248 17.866 1.00 0.00 N ATOM 569 CA LYS A 30 10.888 -13.041 17.922 1.00 0.00 C ATOM 570 C LYS A 30 11.911 -12.305 18.785 1.00 0.00 C ATOM 571 O LYS A 30 12.741 -12.908 19.436 1.00 0.00 O ATOM 572 CB LYS A 30 11.442 -13.222 16.507 1.00 0.00 C ATOM 573 CG LYS A 30 11.381 -14.700 16.121 1.00 0.00 C ATOM 574 CD LYS A 30 9.920 -15.150 16.047 1.00 0.00 C ATOM 575 CE LYS A 30 9.848 -16.674 16.164 1.00 0.00 C ATOM 576 NZ LYS A 30 10.538 -17.293 14.997 1.00 0.00 N ATOM 0 H LYS A 30 9.330 -11.976 16.930 1.00 0.00 H new ATOM 0 HA LYS A 30 10.685 -14.020 18.356 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.865 -12.626 15.800 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.471 -12.865 16.459 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.869 -14.856 15.159 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.921 -15.300 16.853 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.345 -14.686 16.848 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.476 -14.826 15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.316 -17.001 17.093 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.808 -16.998 16.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.319 -18.309 14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.212 -16.839 14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.565 -17.163 15.092 1.00 0.00 H new ATOM 590 N ILE A 31 11.851 -11.006 18.796 1.00 0.00 N ATOM 591 CA ILE A 31 12.812 -10.221 19.619 1.00 0.00 C ATOM 592 C ILE A 31 12.474 -10.403 21.096 1.00 0.00 C ATOM 593 O ILE A 31 13.342 -10.486 21.942 1.00 0.00 O ATOM 594 CB ILE A 31 12.710 -8.740 19.250 1.00 0.00 C ATOM 595 CG1 ILE A 31 13.321 -8.518 17.864 1.00 0.00 C ATOM 596 CG2 ILE A 31 13.468 -7.903 20.282 1.00 0.00 C ATOM 597 CD1 ILE A 31 14.810 -8.867 17.898 1.00 0.00 C ATOM 0 H ILE A 31 11.177 -10.451 18.270 1.00 0.00 H new ATOM 0 HA ILE A 31 13.827 -10.571 19.430 1.00 0.00 H new ATOM 0 HB ILE A 31 11.662 -8.439 19.239 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.809 -9.136 17.126 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.187 -7.480 17.558 1.00 0.00 H new ATOM 0 HG21 ILE A 31 13.395 -6.848 20.019 1.00 0.00 H new ATOM 0 HG22 ILE A 31 13.034 -8.062 21.269 1.00 0.00 H new ATOM 0 HG23 ILE A 31 14.516 -8.202 20.294 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.244 -8.708 16.911 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.317 -8.230 18.623 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.932 -9.912 18.185 1.00 0.00 H new ATOM 609 N GLU A 32 11.214 -10.465 21.406 1.00 0.00 N ATOM 610 CA GLU A 32 10.797 -10.644 22.824 1.00 0.00 C ATOM 611 C GLU A 32 11.171 -12.049 23.289 1.00 0.00 C ATOM 612 O GLU A 32 11.426 -12.285 24.454 1.00 0.00 O ATOM 613 CB GLU A 32 9.283 -10.452 22.940 1.00 0.00 C ATOM 614 CG GLU A 32 8.986 -9.058 23.496 1.00 0.00 C ATOM 615 CD GLU A 32 9.210 -9.053 25.008 1.00 0.00 C ATOM 616 OE1 GLU A 32 10.182 -9.648 25.446 1.00 0.00 O ATOM 617 OE2 GLU A 32 8.407 -8.453 25.704 1.00 0.00 O ATOM 0 H GLU A 32 10.448 -10.399 20.736 1.00 0.00 H new ATOM 0 HA GLU A 32 11.303 -9.908 23.448 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.815 -10.573 21.963 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.858 -11.214 23.594 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.631 -8.320 23.020 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.958 -8.776 23.269 1.00 0.00 H new ATOM 624 N LYS A 33 11.209 -12.983 22.384 1.00 0.00 N ATOM 625 CA LYS A 33 11.569 -14.379 22.761 1.00 0.00 C ATOM 626 C LYS A 33 13.080 -14.475 22.971 1.00 0.00 C ATOM 627 O LYS A 33 13.545 -14.685 24.074 1.00 0.00 O ATOM 628 CB LYS A 33 11.148 -15.335 21.643 1.00 0.00 C ATOM 629 CG LYS A 33 11.438 -16.776 22.067 1.00 0.00 C ATOM 630 CD LYS A 33 10.878 -17.740 21.018 1.00 0.00 C ATOM 631 CE LYS A 33 9.386 -17.961 21.273 1.00 0.00 C ATOM 632 NZ LYS A 33 8.740 -18.466 20.029 1.00 0.00 N ATOM 0 H LYS A 33 11.006 -12.841 21.395 1.00 0.00 H new ATOM 0 HA LYS A 33 11.055 -14.651 23.683 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.086 -15.215 21.428 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.688 -15.099 20.726 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.512 -16.925 22.176 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.988 -16.978 23.039 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.031 -17.335 20.018 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.410 -18.690 21.061 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.247 -18.676 22.084 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.917 -17.028 21.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.725 -18.617 20.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.862 -17.769 19.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.181 -19.365 19.749 1.00 0.00 H new HETATM 646 N NH2 A 34 13.877 -14.327 21.948 1.00 0.00 N TER 649 NH2 A 34