USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 186 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -132:sc=-0.00163 (180deg=-1.15) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -4.33! C(o=-4.3!,f=-3.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HE2:sc= -9.59! C(o=-9.6!,f=-9.1!) USER MOD Single : A 15 LYS NZ :NH3+ -115:sc= -1.09 (180deg=-2.58!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 1.699 -1.240 -2.060 1.00 0.00 C ATOM 4 O LYS A 1 0.832 -2.013 -1.657 1.00 0.00 O ATOM 5 CB LYS A 1 3.573 0.125 -0.969 1.00 0.00 C ATOM 6 CG LYS A 1 3.886 1.421 -0.218 1.00 0.00 C ATOM 7 CD LYS A 1 5.348 1.454 0.231 1.00 0.00 C ATOM 8 CE LYS A 1 5.570 2.532 1.295 1.00 0.00 C ATOM 9 NZ LYS A 1 6.841 2.295 2.015 1.00 0.00 N ATOM 0 H1 LYS A 1 0.898 0.937 0.149 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.575 -0.719 -0.046 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.966 -0.218 0.790 1.00 0.00 H new ATOM 0 HA LYS A 1 1.810 0.869 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.911 -0.730 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.123 0.104 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 1 3.680 2.277 -0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.233 1.509 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.632 0.480 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.992 1.647 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.589 3.516 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 1 4.740 2.531 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.976 3.035 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.809 1.365 2.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.632 2.319 1.340 1.00 0.00 H new ATOM 23 N ASN A 2 2.372 -1.390 -3.192 1.00 0.00 N ATOM 24 CA ASN A 2 2.121 -2.523 -4.066 1.00 0.00 C ATOM 25 C ASN A 2 0.767 -2.340 -4.755 1.00 0.00 C ATOM 26 O ASN A 2 0.709 -2.029 -5.944 1.00 0.00 O ATOM 27 CB ASN A 2 2.076 -3.831 -3.274 1.00 0.00 C ATOM 28 CG ASN A 2 3.151 -4.805 -3.762 1.00 0.00 C ATOM 29 OD1 ASN A 2 4.191 -4.419 -4.269 1.00 0.00 O ATOM 30 ND2 ASN A 2 2.843 -6.086 -3.580 1.00 0.00 N ATOM 0 H ASN A 2 3.090 -0.746 -3.523 1.00 0.00 H new ATOM 0 HA ASN A 2 2.929 -2.571 -4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.222 -3.624 -2.214 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.092 -4.289 -3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 2 3.495 -6.814 -3.872 1.00 0.00 H new ATOM 0 HD22 ASN A 2 1.954 -6.341 -3.149 1.00 0.00 H new ATOM 37 N LEU A 3 -0.287 -2.541 -3.979 1.00 0.00 N ATOM 38 CA LEU A 3 -1.637 -2.402 -4.499 1.00 0.00 C ATOM 39 C LEU A 3 -1.749 -3.162 -5.822 1.00 0.00 C ATOM 40 O LEU A 3 -2.643 -2.892 -6.623 1.00 0.00 O ATOM 41 CB LEU A 3 -2.021 -0.925 -4.604 1.00 0.00 C ATOM 42 CG LEU A 3 -2.400 -0.235 -3.291 1.00 0.00 C ATOM 43 CD1 LEU A 3 -3.703 -0.805 -2.729 1.00 0.00 C ATOM 44 CD2 LEU A 3 -1.255 -0.316 -2.279 1.00 0.00 C ATOM 0 H LEU A 3 -0.234 -2.799 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.358 -2.847 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.186 -0.384 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.861 -0.836 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.573 0.821 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.950 -0.298 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.507 -0.652 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.582 -1.872 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.550 0.182 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.026 -1.361 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.372 0.174 -2.689 1.00 0.00 H new ATOM 56 N ARG A 4 -0.830 -4.097 -6.011 1.00 0.00 N ATOM 57 CA ARG A 4 -0.815 -4.898 -7.223 1.00 0.00 C ATOM 58 C ARG A 4 -2.215 -5.437 -7.521 1.00 0.00 C ATOM 59 O ARG A 4 -2.701 -5.326 -8.646 1.00 0.00 O ATOM 60 CB ARG A 4 0.159 -6.071 -7.096 1.00 0.00 C ATOM 61 CG ARG A 4 1.545 -5.589 -6.662 1.00 0.00 C ATOM 62 CD ARG A 4 2.559 -6.734 -6.693 1.00 0.00 C ATOM 63 NE ARG A 4 2.299 -7.670 -5.577 1.00 0.00 N ATOM 64 CZ ARG A 4 2.879 -8.872 -5.453 1.00 0.00 C ATOM 65 NH1 ARG A 4 3.755 -9.291 -6.377 1.00 0.00 N ATOM 66 NH2 ARG A 4 2.583 -9.654 -4.407 1.00 0.00 N ATOM 0 H ARG A 4 -0.090 -4.318 -5.345 1.00 0.00 H new ATOM 0 HA ARG A 4 -0.488 -4.255 -8.040 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.224 -6.789 -6.371 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.234 -6.591 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.877 -4.786 -7.320 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.491 -5.174 -5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.494 -7.262 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.571 -6.337 -6.617 1.00 0.00 H new ATOM 0 HE ARG A 4 1.637 -7.382 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.980 -8.695 -7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.197 -10.206 -6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.916 -9.335 -3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 4 3.025 -10.569 -4.313 1.00 0.00 H new ATOM 80 N ARG A 5 -2.825 -6.008 -6.493 1.00 0.00 N ATOM 81 CA ARG A 5 -4.161 -6.565 -6.630 1.00 0.00 C ATOM 82 C ARG A 5 -5.169 -5.455 -6.934 1.00 0.00 C ATOM 83 O ARG A 5 -6.169 -5.689 -7.612 1.00 0.00 O ATOM 84 CB ARG A 5 -4.586 -7.296 -5.356 1.00 0.00 C ATOM 85 CG ARG A 5 -3.711 -8.527 -5.112 1.00 0.00 C ATOM 86 CD ARG A 5 -4.568 -9.785 -4.947 1.00 0.00 C ATOM 87 NE ARG A 5 -3.726 -10.914 -4.493 1.00 0.00 N ATOM 88 CZ ARG A 5 -4.205 -12.018 -3.903 1.00 0.00 C ATOM 89 NH1 ARG A 5 -5.522 -12.148 -3.694 1.00 0.00 N ATOM 90 NH2 ARG A 5 -3.367 -12.992 -3.524 1.00 0.00 N ATOM 0 H ARG A 5 -2.419 -6.097 -5.561 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.141 -7.278 -7.454 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.515 -6.620 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.630 -7.598 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.022 -8.659 -5.946 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.105 -8.376 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.364 -9.601 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.047 -10.035 -5.893 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.719 -10.848 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.160 -11.407 -3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.887 -12.988 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -2.365 -12.893 -3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.731 -13.832 -3.075 1.00 0.00 H new ATOM 104 N ILE A 6 -4.872 -4.271 -6.418 1.00 0.00 N ATOM 105 CA ILE A 6 -5.741 -3.125 -6.626 1.00 0.00 C ATOM 106 C ILE A 6 -5.413 -2.481 -7.975 1.00 0.00 C ATOM 107 O ILE A 6 -6.315 -2.125 -8.732 1.00 0.00 O ATOM 108 CB ILE A 6 -5.645 -2.159 -5.444 1.00 0.00 C ATOM 109 CG1 ILE A 6 -5.890 -2.887 -4.120 1.00 0.00 C ATOM 110 CG2 ILE A 6 -6.591 -0.971 -5.628 1.00 0.00 C ATOM 111 CD1 ILE A 6 -7.232 -2.477 -3.509 1.00 0.00 C ATOM 0 H ILE A 6 -4.042 -4.081 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.784 -3.439 -6.667 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.631 -1.761 -5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.876 -3.964 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.084 -2.661 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.503 -0.300 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.328 -0.434 -6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.617 -1.331 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.381 -3.009 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.234 -1.403 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.038 -2.727 -4.199 1.00 0.00 H new ATOM 123 N ILE A 7 -4.120 -2.349 -8.233 1.00 0.00 N ATOM 124 CA ILE A 7 -3.662 -1.754 -9.477 1.00 0.00 C ATOM 125 C ILE A 7 -4.211 -2.560 -10.656 1.00 0.00 C ATOM 126 O ILE A 7 -4.860 -2.008 -11.542 1.00 0.00 O ATOM 127 CB ILE A 7 -2.138 -1.622 -9.479 1.00 0.00 C ATOM 128 CG1 ILE A 7 -1.656 -0.818 -8.269 1.00 0.00 C ATOM 129 CG2 ILE A 7 -1.641 -1.026 -10.798 1.00 0.00 C ATOM 130 CD1 ILE A 7 -0.338 -0.104 -8.575 1.00 0.00 C ATOM 0 H ILE A 7 -3.375 -2.644 -7.602 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.047 -0.739 -9.578 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.708 -2.620 -9.395 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.414 -0.086 -7.989 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.524 -1.483 -7.415 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.554 -0.943 -10.773 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.937 -1.673 -11.624 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.077 -0.037 -10.938 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.018 0.460 -7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.424 -0.840 -8.831 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.480 0.578 -9.413 1.00 0.00 H new ATOM 142 N ARG A 8 -3.929 -3.855 -10.628 1.00 0.00 N ATOM 143 CA ARG A 8 -4.386 -4.743 -11.683 1.00 0.00 C ATOM 144 C ARG A 8 -5.903 -4.930 -11.600 1.00 0.00 C ATOM 145 O ARG A 8 -6.541 -5.302 -12.584 1.00 0.00 O ATOM 146 CB ARG A 8 -3.705 -6.109 -11.587 1.00 0.00 C ATOM 147 CG ARG A 8 -4.395 -6.994 -10.546 1.00 0.00 C ATOM 148 CD ARG A 8 -4.727 -8.369 -11.128 1.00 0.00 C ATOM 149 NE ARG A 8 -3.491 -9.028 -11.607 1.00 0.00 N ATOM 150 CZ ARG A 8 -3.456 -10.247 -12.162 1.00 0.00 C ATOM 151 NH1 ARG A 8 -4.589 -10.947 -12.312 1.00 0.00 N ATOM 152 NH2 ARG A 8 -2.289 -10.766 -12.567 1.00 0.00 N ATOM 0 H ARG A 8 -3.390 -4.310 -9.891 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.124 -4.286 -12.637 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.728 -6.600 -12.560 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.656 -5.979 -11.321 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.748 -7.110 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.309 -6.511 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.208 -8.987 -10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.435 -8.264 -11.950 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.611 -8.522 -11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.477 -10.552 -12.004 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.563 -11.875 -12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.427 -10.233 -12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.263 -11.694 -12.989 1.00 0.00 H new ATOM 166 N LYS A 9 -6.436 -4.663 -10.417 1.00 0.00 N ATOM 167 CA LYS A 9 -7.865 -4.797 -10.193 1.00 0.00 C ATOM 168 C LYS A 9 -8.621 -3.992 -11.252 1.00 0.00 C ATOM 169 O LYS A 9 -9.361 -4.557 -12.055 1.00 0.00 O ATOM 170 CB LYS A 9 -8.221 -4.409 -8.756 1.00 0.00 C ATOM 171 CG LYS A 9 -8.620 -5.639 -7.939 1.00 0.00 C ATOM 172 CD LYS A 9 -10.130 -5.877 -8.008 1.00 0.00 C ATOM 173 CE LYS A 9 -10.455 -7.082 -8.894 1.00 0.00 C ATOM 174 NZ LYS A 9 -11.901 -7.118 -9.208 1.00 0.00 N ATOM 0 H LYS A 9 -5.904 -4.354 -9.603 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.172 -5.837 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.369 -3.917 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.041 -3.690 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.093 -6.516 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.317 -5.504 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.522 -6.043 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.624 -4.988 -8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.877 -7.029 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.163 -8.002 -8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.105 -7.941 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.446 -7.191 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.169 -6.247 -9.710 1.00 0.00 H new ATOM 188 N GLY A 10 -8.408 -2.685 -11.219 1.00 0.00 N ATOM 189 CA GLY A 10 -9.060 -1.796 -12.166 1.00 0.00 C ATOM 190 C GLY A 10 -8.919 -2.321 -13.597 1.00 0.00 C ATOM 191 O GLY A 10 -9.789 -2.090 -14.435 1.00 0.00 O ATOM 0 H GLY A 10 -7.793 -2.220 -10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.116 -1.700 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.623 -0.800 -12.095 1.00 0.00 H new ATOM 195 N ILE A 11 -7.817 -3.018 -13.831 1.00 0.00 N ATOM 196 CA ILE A 11 -7.551 -3.577 -15.146 1.00 0.00 C ATOM 197 C ILE A 11 -8.280 -4.915 -15.283 1.00 0.00 C ATOM 198 O ILE A 11 -9.185 -5.052 -16.104 1.00 0.00 O ATOM 199 CB ILE A 11 -6.044 -3.670 -15.394 1.00 0.00 C ATOM 200 CG1 ILE A 11 -5.308 -2.498 -14.740 1.00 0.00 C ATOM 201 CG2 ILE A 11 -5.740 -3.775 -16.889 1.00 0.00 C ATOM 202 CD1 ILE A 11 -3.853 -2.433 -15.211 1.00 0.00 C ATOM 0 H ILE A 11 -7.098 -3.208 -13.133 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.939 -2.920 -15.925 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.676 -4.583 -14.926 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.815 -1.564 -14.983 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.339 -2.604 -13.656 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.662 -3.840 -17.037 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.217 -4.667 -17.295 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.124 -2.893 -17.401 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.353 -1.592 -14.732 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.343 -3.359 -14.945 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.826 -2.302 -16.293 1.00 0.00 H new ATOM 214 N HIS A 12 -7.858 -5.869 -14.465 1.00 0.00 N ATOM 215 CA HIS A 12 -8.460 -7.191 -14.484 1.00 0.00 C ATOM 216 C HIS A 12 -9.062 -7.461 -15.865 1.00 0.00 C ATOM 217 O HIS A 12 -10.281 -7.439 -16.029 1.00 0.00 O ATOM 218 CB HIS A 12 -9.479 -7.341 -13.353 1.00 0.00 C ATOM 219 CG HIS A 12 -8.957 -8.094 -12.152 1.00 0.00 C ATOM 220 ND1 HIS A 12 -9.638 -9.153 -11.577 1.00 0.00 N ATOM 221 CD2 HIS A 12 -7.815 -7.930 -11.425 1.00 0.00 C ATOM 222 CE1 HIS A 12 -8.929 -9.598 -10.551 1.00 0.00 C ATOM 223 NE2 HIS A 12 -7.799 -8.838 -10.458 1.00 0.00 N ATOM 0 H HIS A 12 -7.107 -5.752 -13.785 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.694 -7.946 -14.306 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.802 -6.350 -13.035 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.360 -7.856 -13.737 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -10.534 -9.527 -11.890 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.053 -7.187 -11.606 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.198 -10.418 -9.902 1.00 0.00 H new ATOM 232 N ILE A 13 -8.180 -7.709 -16.822 1.00 0.00 N ATOM 233 CA ILE A 13 -8.609 -7.982 -18.183 1.00 0.00 C ATOM 234 C ILE A 13 -8.155 -9.387 -18.584 1.00 0.00 C ATOM 235 O ILE A 13 -8.947 -10.177 -19.095 1.00 0.00 O ATOM 236 CB ILE A 13 -8.120 -6.884 -19.130 1.00 0.00 C ATOM 237 CG1 ILE A 13 -7.202 -5.901 -18.401 1.00 0.00 C ATOM 238 CG2 ILE A 13 -9.298 -6.177 -19.804 1.00 0.00 C ATOM 239 CD1 ILE A 13 -6.554 -4.924 -19.385 1.00 0.00 C ATOM 0 H ILE A 13 -7.170 -7.727 -16.682 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.697 -7.967 -18.250 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.530 -7.350 -19.919 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.774 -5.347 -17.656 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.428 -6.450 -17.865 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.923 -5.401 -20.472 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -9.877 -6.901 -20.378 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.934 -5.725 -19.043 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.906 -4.236 -18.841 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.963 -5.479 -20.113 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.330 -4.360 -19.902 1.00 0.00 H new ATOM 251 N ILE A 14 -6.881 -9.655 -18.337 1.00 0.00 N ATOM 252 CA ILE A 14 -6.312 -10.951 -18.666 1.00 0.00 C ATOM 253 C ILE A 14 -7.182 -12.054 -18.059 1.00 0.00 C ATOM 254 O ILE A 14 -7.120 -13.205 -18.489 1.00 0.00 O ATOM 255 CB ILE A 14 -4.846 -11.018 -18.234 1.00 0.00 C ATOM 256 CG1 ILE A 14 -4.032 -9.897 -18.883 1.00 0.00 C ATOM 257 CG2 ILE A 14 -4.252 -12.398 -18.521 1.00 0.00 C ATOM 258 CD1 ILE A 14 -3.299 -10.402 -20.128 1.00 0.00 C ATOM 0 H ILE A 14 -6.227 -8.997 -17.913 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.310 -11.103 -19.745 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.800 -10.866 -17.156 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.692 -9.073 -19.154 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.311 -9.504 -18.166 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.209 -12.418 -18.204 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.812 -13.156 -17.974 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.311 -12.604 -19.590 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.728 -9.586 -20.570 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.622 -11.209 -19.849 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.025 -10.771 -20.853 1.00 0.00 H new ATOM 270 N LYS A 15 -7.973 -11.664 -17.071 1.00 0.00 N ATOM 271 CA LYS A 15 -8.855 -12.605 -16.401 1.00 0.00 C ATOM 272 C LYS A 15 -10.130 -12.780 -17.228 1.00 0.00 C ATOM 273 O LYS A 15 -10.746 -13.844 -17.208 1.00 0.00 O ATOM 274 CB LYS A 15 -9.113 -12.164 -14.959 1.00 0.00 C ATOM 275 CG LYS A 15 -10.550 -11.667 -14.786 1.00 0.00 C ATOM 276 CD LYS A 15 -11.094 -12.033 -13.404 1.00 0.00 C ATOM 277 CE LYS A 15 -10.018 -11.867 -12.329 1.00 0.00 C ATOM 278 NZ LYS A 15 -9.419 -13.176 -11.989 1.00 0.00 N ATOM 0 H LYS A 15 -8.022 -10.708 -16.718 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.383 -13.585 -16.331 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.929 -12.998 -14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.415 -11.372 -14.687 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.583 -10.586 -14.919 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.185 -12.103 -15.558 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.950 -11.401 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.450 -13.063 -13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.243 -11.187 -12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.453 -11.417 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.644 -13.415 -11.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.805 -13.908 -12.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.387 -13.127 -12.107 1.00 0.00 H new ATOM 292 N LYS A 16 -10.488 -11.719 -17.936 1.00 0.00 N ATOM 293 CA LYS A 16 -11.679 -11.742 -18.769 1.00 0.00 C ATOM 294 C LYS A 16 -11.303 -12.213 -20.175 1.00 0.00 C ATOM 295 O LYS A 16 -11.901 -11.779 -21.159 1.00 0.00 O ATOM 296 CB LYS A 16 -12.377 -10.381 -18.742 1.00 0.00 C ATOM 297 CG LYS A 16 -12.177 -9.688 -17.393 1.00 0.00 C ATOM 298 CD LYS A 16 -12.368 -8.175 -17.519 1.00 0.00 C ATOM 299 CE LYS A 16 -12.862 -7.573 -16.203 1.00 0.00 C ATOM 300 NZ LYS A 16 -14.339 -7.473 -16.201 1.00 0.00 N ATOM 0 H LYS A 16 -9.975 -10.838 -17.950 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.405 -12.455 -18.377 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.984 -9.751 -19.540 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.442 -10.511 -18.934 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.884 -10.088 -16.666 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.177 -9.902 -17.015 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.425 -7.709 -17.805 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.084 -7.960 -18.313 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.532 -8.190 -15.367 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.424 -6.585 -16.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.658 -7.062 -15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.647 -6.865 -16.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.751 -8.421 -16.314 1.00 0.00 H new ATOM 314 N TYR A 17 -10.316 -13.095 -20.225 1.00 0.00 N ATOM 315 CA TYR A 17 -9.854 -13.629 -21.495 1.00 0.00 C ATOM 316 C TYR A 17 -9.846 -15.159 -21.475 1.00 0.00 C ATOM 317 O TYR A 17 -10.250 -15.773 -20.489 1.00 0.00 O ATOM 318 CB TYR A 17 -8.419 -13.126 -21.667 1.00 0.00 C ATOM 319 CG TYR A 17 -8.297 -11.884 -22.551 1.00 0.00 C ATOM 320 CD1 TYR A 17 -9.124 -10.800 -22.335 1.00 0.00 C ATOM 321 CD2 TYR A 17 -7.360 -11.846 -23.564 1.00 0.00 C ATOM 322 CE1 TYR A 17 -9.009 -9.630 -23.167 1.00 0.00 C ATOM 323 CE2 TYR A 17 -7.246 -10.676 -24.396 1.00 0.00 C ATOM 324 CZ TYR A 17 -8.076 -9.626 -24.156 1.00 0.00 C ATOM 325 OH TYR A 17 -7.967 -8.521 -24.942 1.00 0.00 O ATOM 0 H TYR A 17 -9.823 -13.453 -19.407 1.00 0.00 H new ATOM 0 HA TYR A 17 -10.509 -13.311 -22.306 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.003 -12.902 -20.685 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.814 -13.925 -22.095 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.857 -10.829 -21.542 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.712 -12.694 -23.733 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.650 -8.775 -23.009 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.518 -10.634 -25.192 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.259 -8.660 -25.605 1.00 0.00 H new ATOM 335 N GLY A 18 -9.382 -15.731 -22.577 1.00 0.00 N ATOM 336 CA GLY A 18 -9.317 -17.177 -22.699 1.00 0.00 C ATOM 337 C GLY A 18 -8.205 -17.752 -21.819 1.00 0.00 C ATOM 338 O GLY A 18 -8.384 -18.790 -21.184 1.00 0.00 O ATOM 0 H GLY A 18 -9.048 -15.219 -23.393 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.274 -17.613 -22.413 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.140 -17.450 -23.739 1.00 0.00 H new TER 342 GLY A 18