USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 86 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 LEU N :NH3+ -155:sc= 0.0368 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Single : A 4 MET CE :methyl -158:sc= -1.99 (180deg=-2.49!) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.032) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 179:sc= 1.03 USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0485) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.45) USER MOD Single : A 23 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.051) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= -0.0556 (180deg=-0.453) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 22.035 10.807 -4.535 1.00 0.00 N ATOM 2 CA LEU A 1 20.986 10.265 -5.430 1.00 0.00 C ATOM 3 C LEU A 1 21.189 8.752 -5.630 1.00 0.00 C ATOM 4 O LEU A 1 21.863 8.115 -4.824 1.00 0.00 O ATOM 5 CB LEU A 1 21.022 11.031 -6.763 1.00 0.00 C ATOM 6 CG LEU A 1 19.678 11.721 -7.057 1.00 0.00 C ATOM 7 CD1 LEU A 1 19.847 12.604 -8.298 1.00 0.00 C ATOM 8 CD2 LEU A 1 18.536 10.723 -7.313 1.00 0.00 C ATOM 0 H1 LEU A 1 21.684 11.669 -4.071 1.00 0.00 H new ATOM 0 H2 LEU A 1 22.275 10.098 -3.813 1.00 0.00 H new ATOM 0 H3 LEU A 1 22.883 11.035 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 1 20.001 10.400 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 1 21.816 11.777 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.263 10.342 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 1 19.408 12.305 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.903 13.102 -8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 1 20.616 13.353 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 1 20.142 11.987 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 1 17.614 11.269 -7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 1 18.784 10.099 -8.172 1.00 0.00 H new ATOM 0 HD23 LEU A 1 18.400 10.093 -6.434 1.00 0.00 H new ATOM 12 N GLN A 2 20.542 8.167 -6.656 1.00 0.00 N ATOM 13 CA GLN A 2 20.611 6.724 -6.998 1.00 0.00 C ATOM 14 C GLN A 2 20.656 5.792 -5.767 1.00 0.00 C ATOM 15 O GLN A 2 21.292 4.742 -5.759 1.00 0.00 O ATOM 16 CB GLN A 2 21.753 6.393 -7.983 1.00 0.00 C ATOM 17 CG GLN A 2 23.190 6.685 -7.497 1.00 0.00 C ATOM 18 CD GLN A 2 23.569 8.166 -7.590 1.00 0.00 C ATOM 19 OE1 GLN A 2 23.964 8.825 -6.637 1.00 0.00 O ATOM 20 NE2 GLN A 2 23.447 8.734 -8.765 1.00 0.00 N ATOM 0 H GLN A 2 19.940 8.694 -7.289 1.00 0.00 H new ATOM 0 HA GLN A 2 19.668 6.523 -7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 2 21.688 5.335 -8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 2 21.583 6.953 -8.902 1.00 0.00 H new ATOM 0 HG2 GLN A 2 23.291 6.355 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 2 23.893 6.099 -8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 2 23.118 8.190 -9.563 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.681 9.720 -8.882 1.00 0.00 H new ATOM 24 N ARG A 3 19.832 6.153 -4.774 1.00 0.00 N ATOM 25 CA ARG A 3 19.806 5.438 -3.497 1.00 0.00 C ATOM 26 C ARG A 3 18.982 4.157 -3.613 1.00 0.00 C ATOM 27 O ARG A 3 18.292 3.766 -2.680 1.00 0.00 O ATOM 28 CB ARG A 3 19.331 6.365 -2.352 1.00 0.00 C ATOM 29 CG ARG A 3 20.394 7.373 -1.882 1.00 0.00 C ATOM 30 CD ARG A 3 20.033 8.843 -2.153 1.00 0.00 C ATOM 31 NE ARG A 3 18.818 9.246 -1.428 1.00 0.00 N ATOM 32 CZ ARG A 3 17.808 9.957 -1.923 1.00 0.00 C ATOM 33 NH1 ARG A 3 17.899 10.735 -3.004 1.00 0.00 N ATOM 34 NH2 ARG A 3 16.585 9.602 -1.559 1.00 0.00 N ATOM 0 H ARG A 3 19.178 6.933 -4.833 1.00 0.00 H new ATOM 0 HA ARG A 3 20.821 5.133 -3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.448 6.912 -2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.027 5.751 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 3 20.555 7.242 -0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 3 21.338 7.145 -2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 3 20.864 9.483 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 3 19.885 8.990 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 3 18.743 8.953 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 3 18.784 10.811 -3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 3 17.083 11.254 -3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.450 8.814 -0.926 1.00 0.00 H new ATOM 0 HH22 ARG A 3 15.778 10.117 -1.912 1.00 0.00 H new ATOM 41 N MET A 4 19.270 3.379 -4.655 1.00 0.00 N ATOM 42 CA MET A 4 18.641 2.078 -4.950 1.00 0.00 C ATOM 43 C MET A 4 18.893 1.039 -3.850 1.00 0.00 C ATOM 44 O MET A 4 18.198 0.037 -3.762 1.00 0.00 O ATOM 45 CB MET A 4 19.109 1.555 -6.317 1.00 0.00 C ATOM 46 CG MET A 4 18.816 2.520 -7.476 1.00 0.00 C ATOM 47 SD MET A 4 17.064 3.037 -7.647 1.00 0.00 S ATOM 48 CE MET A 4 17.124 4.669 -6.942 1.00 0.00 C ATOM 0 H MET A 4 19.973 3.640 -5.347 1.00 0.00 H new ATOM 0 HA MET A 4 17.564 2.241 -4.983 1.00 0.00 H new ATOM 0 HB2 MET A 4 20.181 1.364 -6.276 1.00 0.00 H new ATOM 0 HB3 MET A 4 18.623 0.600 -6.518 1.00 0.00 H new ATOM 0 HG2 MET A 4 19.429 3.412 -7.347 1.00 0.00 H new ATOM 0 HG3 MET A 4 19.130 2.048 -8.407 1.00 0.00 H new ATOM 0 HE1 MET A 4 16.126 4.960 -6.614 1.00 0.00 H new ATOM 0 HE2 MET A 4 17.802 4.672 -6.089 1.00 0.00 H new ATOM 0 HE3 MET A 4 17.480 5.376 -7.691 1.00 0.00 H new ATOM 50 N LYS A 5 19.857 1.349 -2.993 1.00 0.00 N ATOM 51 CA LYS A 5 20.129 0.640 -1.736 1.00 0.00 C ATOM 52 C LYS A 5 19.114 1.030 -0.639 1.00 0.00 C ATOM 53 O LYS A 5 18.432 0.150 -0.132 1.00 0.00 O ATOM 54 CB LYS A 5 21.606 0.912 -1.413 1.00 0.00 C ATOM 55 CG LYS A 5 22.122 0.520 -0.026 1.00 0.00 C ATOM 56 CD LYS A 5 21.814 1.637 0.988 1.00 0.00 C ATOM 57 CE LYS A 5 22.928 1.866 2.007 1.00 0.00 C ATOM 58 NZ LYS A 5 23.129 0.658 2.805 1.00 0.00 N ATOM 0 H LYS A 5 20.497 2.127 -3.154 1.00 0.00 H new ATOM 0 HA LYS A 5 19.988 -0.438 -1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 5 22.212 0.390 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.786 1.979 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.655 -0.411 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 5 23.196 0.341 -0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.632 2.566 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 5 20.894 1.391 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 5 23.853 2.132 1.494 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.672 2.703 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.828 0.847 3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 22.227 0.375 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 23.475 -0.109 2.193 1.00 0.00 H new ATOM 63 N GLN A 6 18.979 2.322 -0.350 1.00 0.00 N ATOM 64 CA GLN A 6 18.084 2.892 0.692 1.00 0.00 C ATOM 65 C GLN A 6 16.611 3.000 0.259 1.00 0.00 C ATOM 66 O GLN A 6 15.716 2.640 1.022 1.00 0.00 O ATOM 67 CB GLN A 6 18.652 4.245 1.175 1.00 0.00 C ATOM 68 CG GLN A 6 17.633 5.102 1.949 1.00 0.00 C ATOM 69 CD GLN A 6 18.192 5.735 3.226 1.00 0.00 C ATOM 70 OE1 GLN A 6 18.932 6.702 3.202 1.00 0.00 O ATOM 71 NE2 GLN A 6 17.766 5.228 4.353 1.00 0.00 N ATOM 0 H GLN A 6 19.505 3.041 -0.847 1.00 0.00 H new ATOM 0 HA GLN A 6 18.068 2.191 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 6 19.516 4.060 1.813 1.00 0.00 H new ATOM 0 HB3 GLN A 6 19.007 4.809 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 6 17.267 5.893 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.775 4.482 2.209 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.147 4.418 4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 6 18.053 5.643 5.240 1.00 0.00 H new ATOM 75 N LEU A 7 16.375 3.572 -0.917 1.00 0.00 N ATOM 76 CA LEU A 7 15.047 3.658 -1.552 1.00 0.00 C ATOM 77 C LEU A 7 14.384 2.275 -1.620 1.00 0.00 C ATOM 78 O LEU A 7 13.238 2.146 -1.208 1.00 0.00 O ATOM 79 CB LEU A 7 15.099 4.356 -2.915 1.00 0.00 C ATOM 80 CG LEU A 7 15.641 5.790 -2.799 1.00 0.00 C ATOM 81 CD1 LEU A 7 15.887 6.401 -4.178 1.00 0.00 C ATOM 82 CD2 LEU A 7 14.688 6.731 -2.065 1.00 0.00 C ATOM 0 H LEU A 7 17.113 4.001 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 7 14.418 4.288 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.730 3.782 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.100 4.379 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 7 16.568 5.695 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.270 7.415 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.615 5.797 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.951 6.427 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.127 7.728 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.740 6.778 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.516 6.360 -1.055 1.00 0.00 H new ATOM 84 N GLU A 8 15.221 1.242 -1.739 1.00 0.00 N ATOM 85 CA GLU A 8 14.782 -0.166 -1.649 1.00 0.00 C ATOM 86 C GLU A 8 14.247 -0.629 -0.276 1.00 0.00 C ATOM 87 O GLU A 8 13.375 -1.493 -0.253 1.00 0.00 O ATOM 88 CB GLU A 8 15.841 -1.142 -2.164 1.00 0.00 C ATOM 89 CG GLU A 8 15.557 -1.514 -3.621 1.00 0.00 C ATOM 90 CD GLU A 8 16.679 -2.352 -4.249 1.00 0.00 C ATOM 91 OE1 GLU A 8 16.842 -2.419 -5.462 1.00 0.00 O ATOM 92 OE2 GLU A 8 17.457 -3.096 -3.424 1.00 0.00 O ATOM 0 H GLU A 8 16.222 1.350 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 8 13.916 -0.186 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.830 -0.692 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.848 -2.040 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.621 -2.070 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.420 -0.603 -4.204 1.00 0.00 H new ATOM 95 N ASP A 9 14.629 0.066 0.800 1.00 0.00 N ATOM 96 CA ASP A 9 14.157 -0.205 2.175 1.00 0.00 C ATOM 97 C ASP A 9 12.686 0.224 2.326 1.00 0.00 C ATOM 98 O ASP A 9 11.893 -0.416 3.025 1.00 0.00 O ATOM 99 CB ASP A 9 14.969 0.543 3.248 1.00 0.00 C ATOM 100 CG ASP A 9 16.469 0.222 3.297 1.00 0.00 C ATOM 101 OD1 ASP A 9 17.129 0.287 4.325 1.00 0.00 O ATOM 102 OD2 ASP A 9 17.072 -0.025 2.126 1.00 0.00 O ATOM 0 H ASP A 9 15.284 0.846 0.747 1.00 0.00 H new ATOM 0 HA ASP A 9 14.280 -1.277 2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.851 1.614 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.537 0.320 4.224 1.00 0.00 H new ATOM 105 N LYS A 10 12.364 1.349 1.694 1.00 0.00 N ATOM 106 CA LYS A 10 10.977 1.847 1.632 1.00 0.00 C ATOM 107 C LYS A 10 10.160 1.340 0.437 1.00 0.00 C ATOM 108 O LYS A 10 8.949 1.254 0.549 1.00 0.00 O ATOM 109 CB LYS A 10 10.837 3.368 1.773 1.00 0.00 C ATOM 110 CG LYS A 10 11.730 4.220 0.879 1.00 0.00 C ATOM 111 CD LYS A 10 13.017 4.551 1.629 1.00 0.00 C ATOM 112 CE LYS A 10 13.527 5.922 1.219 1.00 0.00 C ATOM 113 NZ LYS A 10 13.961 6.635 2.421 1.00 0.00 N ATOM 0 H LYS A 10 13.041 1.941 1.213 1.00 0.00 H new ATOM 0 HA LYS A 10 10.539 1.400 2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.799 3.635 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 10 11.040 3.634 2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 10 11.959 3.685 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.213 5.137 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 10 12.836 4.529 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.774 3.796 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 10 14.355 5.824 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 10 12.742 6.481 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.314 7.577 2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 13.158 6.736 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.721 6.099 2.887 1.00 0.00 H new ATOM 118 N VAL A 11 10.822 0.927 -0.647 1.00 0.00 N ATOM 119 CA VAL A 11 10.161 0.264 -1.791 1.00 0.00 C ATOM 120 C VAL A 11 9.226 -0.889 -1.365 1.00 0.00 C ATOM 121 O VAL A 11 8.070 -0.931 -1.776 1.00 0.00 O ATOM 122 CB VAL A 11 11.205 -0.146 -2.863 1.00 0.00 C ATOM 123 CG1 VAL A 11 10.739 -1.186 -3.886 1.00 0.00 C ATOM 124 CG2 VAL A 11 11.618 1.103 -3.661 1.00 0.00 C ATOM 0 H VAL A 11 11.829 1.039 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 11 9.495 0.992 -2.255 1.00 0.00 H new ATOM 0 HB VAL A 11 12.017 -0.601 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.548 -1.397 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.458 -2.104 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.879 -0.799 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.352 0.825 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.741 1.531 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.054 1.839 -2.985 1.00 0.00 H new ATOM 126 N GLU A 12 9.684 -1.679 -0.392 1.00 0.00 N ATOM 127 CA GLU A 12 8.884 -2.780 0.174 1.00 0.00 C ATOM 128 C GLU A 12 7.717 -2.255 1.036 1.00 0.00 C ATOM 129 O GLU A 12 6.567 -2.653 0.856 1.00 0.00 O ATOM 130 CB GLU A 12 9.735 -3.736 1.012 1.00 0.00 C ATOM 131 CG GLU A 12 10.976 -4.256 0.272 1.00 0.00 C ATOM 132 CD GLU A 12 12.264 -3.804 0.973 1.00 0.00 C ATOM 133 OE1 GLU A 12 12.300 -2.926 1.817 1.00 0.00 O ATOM 134 OE2 GLU A 12 13.399 -4.451 0.631 1.00 0.00 O ATOM 0 H GLU A 12 10.609 -1.580 0.026 1.00 0.00 H new ATOM 0 HA GLU A 12 8.480 -3.326 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.051 -3.226 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.122 -4.584 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.946 -5.345 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.970 -3.892 -0.756 1.00 0.00 H new ATOM 137 N GLU A 13 8.016 -1.229 1.839 1.00 0.00 N ATOM 138 CA GLU A 13 7.022 -0.476 2.624 1.00 0.00 C ATOM 139 C GLU A 13 5.941 0.223 1.783 1.00 0.00 C ATOM 140 O GLU A 13 4.852 0.498 2.270 1.00 0.00 O ATOM 141 CB GLU A 13 7.692 0.550 3.550 1.00 0.00 C ATOM 142 CG GLU A 13 7.798 0.030 4.992 1.00 0.00 C ATOM 143 CD GLU A 13 6.416 -0.319 5.549 1.00 0.00 C ATOM 144 OE1 GLU A 13 6.071 -1.475 5.786 1.00 0.00 O ATOM 145 OE2 GLU A 13 5.531 0.685 5.659 1.00 0.00 O ATOM 0 H GLU A 13 8.969 -0.890 1.967 1.00 0.00 H new ATOM 0 HA GLU A 13 6.515 -1.237 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.688 0.784 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.120 1.478 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.439 -0.851 5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.268 0.785 5.622 1.00 0.00 H new ATOM 148 N LEU A 14 6.233 0.439 0.498 1.00 0.00 N ATOM 149 CA LEU A 14 5.260 1.000 -0.458 1.00 0.00 C ATOM 150 C LEU A 14 4.140 -0.003 -0.656 1.00 0.00 C ATOM 151 O LEU A 14 3.062 0.227 -0.125 1.00 0.00 O ATOM 152 CB LEU A 14 5.841 1.396 -1.814 1.00 0.00 C ATOM 153 CG LEU A 14 7.008 2.386 -1.743 1.00 0.00 C ATOM 154 CD1 LEU A 14 7.433 2.745 -3.160 1.00 0.00 C ATOM 155 CD2 LEU A 14 6.725 3.640 -0.911 1.00 0.00 C ATOM 0 H LEU A 14 7.144 0.233 0.087 1.00 0.00 H new ATOM 0 HA LEU A 14 4.901 1.931 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.177 0.495 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.048 1.832 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 14 7.821 1.888 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.264 3.450 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.746 1.843 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.594 3.200 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.604 4.285 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.879 4.177 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.491 3.352 0.114 1.00 0.00 H new ATOM 157 N LEU A 15 4.464 -1.189 -1.184 1.00 0.00 N ATOM 158 CA LEU A 15 3.466 -2.260 -1.422 1.00 0.00 C ATOM 159 C LEU A 15 2.705 -2.629 -0.131 1.00 0.00 C ATOM 160 O LEU A 15 1.496 -2.480 -0.132 1.00 0.00 O ATOM 161 CB LEU A 15 4.088 -3.531 -2.022 1.00 0.00 C ATOM 162 CG LEU A 15 5.141 -3.270 -3.106 1.00 0.00 C ATOM 163 CD1 LEU A 15 5.568 -4.609 -3.688 1.00 0.00 C ATOM 164 CD2 LEU A 15 4.680 -2.348 -4.244 1.00 0.00 C ATOM 0 H LEU A 15 5.413 -1.441 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 15 2.766 -1.848 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.546 -4.110 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.293 -4.145 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 15 5.964 -2.746 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.318 -4.447 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.990 -5.231 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.702 -5.110 -4.121 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.491 -2.222 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.818 -2.790 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.403 -1.376 -3.835 1.00 0.00 H new ATOM 166 N SER A 16 3.412 -2.782 0.992 1.00 0.00 N ATOM 167 CA SER A 16 2.761 -3.059 2.301 1.00 0.00 C ATOM 168 C SER A 16 1.614 -2.092 2.665 1.00 0.00 C ATOM 169 O SER A 16 0.641 -2.495 3.300 1.00 0.00 O ATOM 170 CB SER A 16 3.762 -3.100 3.465 1.00 0.00 C ATOM 171 OG SER A 16 4.097 -1.789 3.929 1.00 0.00 O ATOM 0 H SER A 16 4.429 -2.722 1.034 1.00 0.00 H new ATOM 0 HA SER A 16 2.325 -4.048 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.339 -3.679 4.287 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.668 -3.614 3.146 1.00 0.00 H new ATOM 0 HG SER A 16 4.725 -1.858 4.678 1.00 0.00 H new ATOM 174 N LYS A 17 1.702 -0.865 2.138 1.00 0.00 N ATOM 175 CA LYS A 17 0.694 0.204 2.257 1.00 0.00 C ATOM 176 C LYS A 17 -0.138 0.375 0.976 1.00 0.00 C ATOM 177 O LYS A 17 -1.349 0.250 1.028 1.00 0.00 O ATOM 178 CB LYS A 17 1.396 1.508 2.644 1.00 0.00 C ATOM 179 CG LYS A 17 2.129 1.357 3.978 1.00 0.00 C ATOM 180 CD LYS A 17 2.998 2.553 4.377 1.00 0.00 C ATOM 181 CE LYS A 17 2.172 3.737 4.885 1.00 0.00 C ATOM 182 NZ LYS A 17 1.937 4.707 3.802 1.00 0.00 N ATOM 0 H LYS A 17 2.513 -0.574 1.592 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.014 -0.076 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.104 1.790 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.664 2.313 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.392 1.184 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.759 0.469 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.700 2.245 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.590 2.870 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.218 3.381 5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.693 4.224 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.145 5.330 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.794 5.278 3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.706 4.199 2.925 1.00 0.00 H new ATOM 187 N ASN A 18 0.485 0.549 -0.198 1.00 0.00 N ATOM 188 CA ASN A 18 -0.156 0.722 -1.520 1.00 0.00 C ATOM 189 C ASN A 18 -1.041 -0.468 -1.952 1.00 0.00 C ATOM 190 O ASN A 18 -2.204 -0.294 -2.324 1.00 0.00 O ATOM 191 CB ASN A 18 0.926 0.992 -2.562 1.00 0.00 C ATOM 192 CG ASN A 18 0.340 1.584 -3.847 1.00 0.00 C ATOM 193 OD1 ASN A 18 0.226 0.948 -4.876 1.00 0.00 O ATOM 194 ND2 ASN A 18 -0.054 2.839 -3.774 1.00 0.00 N ATOM 0 H ASN A 18 1.503 0.575 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.836 1.570 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.665 1.678 -2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.448 0.063 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.463 3.293 -4.590 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.050 3.356 -2.901 1.00 0.00 H new ATOM 198 N TYR A 19 -0.529 -1.682 -1.764 1.00 0.00 N ATOM 199 CA TYR A 19 -1.250 -2.945 -1.991 1.00 0.00 C ATOM 200 C TYR A 19 -2.422 -3.110 -0.997 1.00 0.00 C ATOM 201 O TYR A 19 -3.531 -3.440 -1.389 1.00 0.00 O ATOM 202 CB TYR A 19 -0.232 -4.082 -1.811 1.00 0.00 C ATOM 203 CG TYR A 19 -0.441 -5.286 -2.718 1.00 0.00 C ATOM 204 CD1 TYR A 19 -0.262 -5.129 -4.116 1.00 0.00 C ATOM 205 CD2 TYR A 19 -0.710 -6.539 -2.131 1.00 0.00 C ATOM 206 CE1 TYR A 19 -0.352 -6.265 -4.939 1.00 0.00 C ATOM 207 CE2 TYR A 19 -0.800 -7.675 -2.954 1.00 0.00 C ATOM 208 CZ TYR A 19 -0.628 -7.516 -4.345 1.00 0.00 C ATOM 209 OH TYR A 19 -0.762 -8.605 -5.159 1.00 0.00 O ATOM 0 H TYR A 19 0.427 -1.825 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.681 -2.957 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.768 -3.684 -1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.265 -4.418 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.061 -4.156 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.845 -6.625 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.213 -6.182 -6.007 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.997 -8.649 -2.530 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.949 -9.399 -4.615 1.00 0.00 H new ATOM 212 N HIS A 20 -2.188 -2.687 0.248 1.00 0.00 N ATOM 213 CA HIS A 20 -3.206 -2.589 1.312 1.00 0.00 C ATOM 214 C HIS A 20 -4.248 -1.480 1.028 1.00 0.00 C ATOM 215 O HIS A 20 -5.424 -1.598 1.373 1.00 0.00 O ATOM 216 CB HIS A 20 -2.431 -2.395 2.623 1.00 0.00 C ATOM 217 CG HIS A 20 -3.172 -1.707 3.781 1.00 0.00 C ATOM 218 ND1 HIS A 20 -3.818 -2.296 4.783 1.00 0.00 N ATOM 219 CD2 HIS A 20 -3.333 -0.392 3.910 1.00 0.00 C ATOM 220 CE1 HIS A 20 -4.410 -1.353 5.506 1.00 0.00 C ATOM 221 NE2 HIS A 20 -4.115 -0.177 4.963 1.00 0.00 N ATOM 0 H HIS A 20 -1.262 -2.394 0.558 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.813 -3.493 1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.100 -3.375 2.968 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.535 -1.815 2.403 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.904 0.366 3.272 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.023 -1.513 6.381 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.433 0.733 5.296 1.00 0.00 H new ATOM 225 N LEU A 21 -3.810 -0.444 0.316 1.00 0.00 N ATOM 226 CA LEU A 21 -4.595 0.726 -0.100 1.00 0.00 C ATOM 227 C LEU A 21 -5.660 0.333 -1.120 1.00 0.00 C ATOM 228 O LEU A 21 -6.836 0.541 -0.835 1.00 0.00 O ATOM 229 CB LEU A 21 -3.645 1.821 -0.625 1.00 0.00 C ATOM 230 CG LEU A 21 -4.331 3.004 -1.305 1.00 0.00 C ATOM 231 CD1 LEU A 21 -4.924 3.981 -0.277 1.00 0.00 C ATOM 232 CD2 LEU A 21 -3.363 3.701 -2.252 1.00 0.00 C ATOM 0 H LEU A 21 -2.844 -0.391 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.130 1.132 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.052 2.196 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.950 1.368 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.166 2.623 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.404 4.810 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.661 3.462 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.128 4.365 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.864 4.542 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.502 4.063 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.029 2.997 -3.014 1.00 0.00 H new ATOM 234 N GLU A 22 -5.265 -0.452 -2.120 1.00 0.00 N ATOM 235 CA GLU A 22 -6.196 -0.990 -3.134 1.00 0.00 C ATOM 236 C GLU A 22 -7.300 -1.880 -2.510 1.00 0.00 C ATOM 237 O GLU A 22 -8.431 -1.883 -3.003 1.00 0.00 O ATOM 238 CB GLU A 22 -5.352 -1.719 -4.180 1.00 0.00 C ATOM 239 CG GLU A 22 -5.988 -1.724 -5.574 1.00 0.00 C ATOM 240 CD GLU A 22 -6.975 -2.879 -5.826 1.00 0.00 C ATOM 241 OE1 GLU A 22 -7.039 -3.879 -5.125 1.00 0.00 O ATOM 242 OE2 GLU A 22 -7.679 -2.805 -6.976 1.00 0.00 O ATOM 0 H GLU A 22 -4.296 -0.738 -2.258 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.749 -0.181 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.371 -1.248 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.194 -2.748 -3.857 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.510 -0.779 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.195 -1.772 -6.320 1.00 0.00 H new ATOM 245 N ASN A 23 -7.008 -2.441 -1.339 1.00 0.00 N ATOM 246 CA ASN A 23 -7.993 -3.140 -0.486 1.00 0.00 C ATOM 247 C ASN A 23 -8.847 -2.152 0.335 1.00 0.00 C ATOM 248 O ASN A 23 -10.072 -2.194 0.261 1.00 0.00 O ATOM 249 CB ASN A 23 -7.266 -4.139 0.436 1.00 0.00 C ATOM 250 CG ASN A 23 -8.234 -4.903 1.336 1.00 0.00 C ATOM 251 OD1 ASN A 23 -8.642 -6.027 1.065 1.00 0.00 O ATOM 252 ND2 ASN A 23 -8.655 -4.297 2.429 1.00 0.00 N ATOM 0 H ASN A 23 -6.069 -2.428 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.678 -3.686 -1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.702 -4.847 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.545 -3.603 1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.319 -4.763 3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.317 -3.362 2.656 1.00 0.00 H new ATOM 256 N GLU A 24 -8.202 -1.296 1.138 1.00 0.00 N ATOM 257 CA GLU A 24 -8.919 -0.322 1.988 1.00 0.00 C ATOM 258 C GLU A 24 -9.853 0.592 1.186 1.00 0.00 C ATOM 259 O GLU A 24 -11.036 0.636 1.501 1.00 0.00 O ATOM 260 CB GLU A 24 -7.993 0.482 2.932 1.00 0.00 C ATOM 261 CG GLU A 24 -7.168 1.560 2.221 1.00 0.00 C ATOM 262 CD GLU A 24 -6.389 2.497 3.133 1.00 0.00 C ATOM 263 OE1 GLU A 24 -5.748 2.127 4.110 1.00 0.00 O ATOM 264 OE2 GLU A 24 -6.371 3.788 2.749 1.00 0.00 O ATOM 0 H GLU A 24 -7.186 -1.254 1.221 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.550 -0.929 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.599 0.953 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.315 -0.208 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.465 1.070 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.838 2.157 1.603 1.00 0.00 H new ATOM 267 N VAL A 25 -9.363 1.098 0.051 1.00 0.00 N ATOM 268 CA VAL A 25 -10.098 1.890 -0.960 1.00 0.00 C ATOM 269 C VAL A 25 -11.412 1.210 -1.365 1.00 0.00 C ATOM 270 O VAL A 25 -12.424 1.895 -1.425 1.00 0.00 O ATOM 271 CB VAL A 25 -9.178 2.223 -2.156 1.00 0.00 C ATOM 272 CG1 VAL A 25 -9.887 2.737 -3.404 1.00 0.00 C ATOM 273 CG2 VAL A 25 -8.198 3.315 -1.733 1.00 0.00 C ATOM 0 H VAL A 25 -8.386 0.962 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.392 2.842 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.705 1.277 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.152 2.940 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.592 1.985 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.425 3.654 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.542 3.559 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.752 4.205 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.599 2.961 -0.894 1.00 0.00 H new ATOM 275 N ALA A 26 -11.405 -0.120 -1.440 1.00 0.00 N ATOM 276 CA ALA A 26 -12.620 -0.904 -1.726 1.00 0.00 C ATOM 277 C ALA A 26 -13.645 -0.759 -0.583 1.00 0.00 C ATOM 278 O ALA A 26 -14.572 0.035 -0.749 1.00 0.00 O ATOM 279 CB ALA A 26 -12.251 -2.374 -1.994 1.00 0.00 C ATOM 0 H ALA A 26 -10.568 -0.687 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.093 -0.514 -2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.156 -2.944 -2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.580 -2.430 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.755 -2.790 -1.117 1.00 0.00 H new ATOM 281 N ARG A 27 -13.334 -1.261 0.615 1.00 0.00 N ATOM 282 CA ARG A 27 -14.195 -1.107 1.807 1.00 0.00 C ATOM 283 C ARG A 27 -14.594 0.369 2.042 1.00 0.00 C ATOM 284 O ARG A 27 -15.770 0.673 2.179 1.00 0.00 O ATOM 285 CB ARG A 27 -13.519 -1.677 3.058 1.00 0.00 C ATOM 286 CG ARG A 27 -14.541 -1.791 4.191 1.00 0.00 C ATOM 287 CD ARG A 27 -13.950 -1.706 5.594 1.00 0.00 C ATOM 288 NE ARG A 27 -15.059 -1.232 6.433 1.00 0.00 N ATOM 289 CZ ARG A 27 -15.689 -1.889 7.405 1.00 0.00 C ATOM 290 NH1 ARG A 27 -15.049 -2.727 8.212 1.00 0.00 N ATOM 291 NH2 ARG A 27 -16.864 -1.449 7.807 1.00 0.00 N ATOM 0 H ARG A 27 -12.479 -1.787 0.794 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.105 -1.675 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -13.094 -2.657 2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -12.694 -1.033 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -15.281 -1.000 4.075 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -15.070 -2.739 4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.585 -2.676 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.105 -1.018 5.628 1.00 0.00 H new ATOM 0 HE ARG A 27 -15.386 -0.284 6.248 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.047 -2.882 8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.559 -3.216 8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -17.273 -0.621 7.375 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.364 -1.937 8.550 1.00 0.00 H new ATOM 298 N LEU A 28 -13.628 1.272 1.859 1.00 0.00 N ATOM 299 CA LEU A 28 -13.784 2.745 1.898 1.00 0.00 C ATOM 300 C LEU A 28 -14.847 3.239 0.904 1.00 0.00 C ATOM 301 O LEU A 28 -15.900 3.672 1.347 1.00 0.00 O ATOM 302 CB LEU A 28 -12.398 3.387 1.679 1.00 0.00 C ATOM 303 CG LEU A 28 -12.403 4.831 1.175 1.00 0.00 C ATOM 304 CD1 LEU A 28 -12.860 5.807 2.257 1.00 0.00 C ATOM 305 CD2 LEU A 28 -11.016 5.226 0.666 1.00 0.00 C ATOM 0 H LEU A 28 -12.666 0.992 1.670 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.158 3.053 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.850 3.353 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.844 2.776 0.966 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.116 4.886 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.850 6.822 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.871 5.552 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.186 5.745 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.038 6.256 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.292 5.137 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.728 4.567 -0.153 1.00 0.00 H new ATOM 307 N LYS A 29 -14.631 3.059 -0.389 1.00 0.00 N ATOM 308 CA LYS A 29 -15.580 3.477 -1.441 1.00 0.00 C ATOM 309 C LYS A 29 -16.915 2.713 -1.392 1.00 0.00 C ATOM 310 O LYS A 29 -17.944 3.216 -1.834 1.00 0.00 O ATOM 311 CB LYS A 29 -14.939 3.398 -2.824 1.00 0.00 C ATOM 312 CG LYS A 29 -13.859 4.481 -2.992 1.00 0.00 C ATOM 313 CD LYS A 29 -13.225 4.399 -4.381 1.00 0.00 C ATOM 314 CE LYS A 29 -12.087 5.399 -4.588 1.00 0.00 C ATOM 315 NZ LYS A 29 -12.590 6.783 -4.700 1.00 0.00 N ATOM 0 H LYS A 29 -13.788 2.616 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 29 -15.824 4.520 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.497 2.412 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.704 3.520 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.300 5.467 -2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.091 4.358 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.846 3.390 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.994 4.573 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.388 5.332 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.533 5.139 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.790 7.433 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.238 6.852 -5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.097 7.040 -3.829 1.00 0.00 H new ATOM 320 N LYS A 30 -16.917 1.567 -0.701 1.00 0.00 N ATOM 321 CA LYS A 30 -18.132 0.808 -0.373 1.00 0.00 C ATOM 322 C LYS A 30 -18.934 1.421 0.798 1.00 0.00 C ATOM 323 O LYS A 30 -20.153 1.433 0.768 1.00 0.00 O ATOM 324 CB LYS A 30 -17.800 -0.660 -0.118 1.00 0.00 C ATOM 325 CG LYS A 30 -17.322 -1.382 -1.391 1.00 0.00 C ATOM 326 CD LYS A 30 -18.416 -1.426 -2.466 1.00 0.00 C ATOM 327 CE LYS A 30 -18.643 -2.842 -2.999 1.00 0.00 C ATOM 328 NZ LYS A 30 -19.106 -3.712 -1.911 1.00 0.00 N ATOM 0 H LYS A 30 -16.063 1.134 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.785 0.869 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -17.027 -0.727 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -18.682 -1.166 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.443 -0.875 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -17.018 -2.398 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -19.348 -1.042 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.140 -0.769 -3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.380 -2.825 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.718 -3.234 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.648 -4.506 -2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.286 -4.080 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -19.713 -3.167 -1.265 1.00 0.00 H new ATOM 333 N LEU A 31 -18.229 2.080 1.717 1.00 0.00 N ATOM 334 CA LEU A 31 -18.846 2.829 2.829 1.00 0.00 C ATOM 335 C LEU A 31 -18.932 4.358 2.630 1.00 0.00 C ATOM 336 O LEU A 31 -19.506 5.073 3.453 1.00 0.00 O ATOM 337 CB LEU A 31 -18.258 2.419 4.193 1.00 0.00 C ATOM 338 CG LEU A 31 -16.786 2.748 4.427 1.00 0.00 C ATOM 339 CD1 LEU A 31 -16.591 4.135 5.044 1.00 0.00 C ATOM 340 CD2 LEU A 31 -16.149 1.687 5.324 1.00 0.00 C ATOM 0 H LEU A 31 -17.210 2.114 1.718 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.893 2.524 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -18.844 2.901 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -18.390 1.344 4.312 1.00 0.00 H new ATOM 0 HG LEU A 31 -16.297 2.752 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.527 4.322 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.003 4.891 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.103 4.181 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.099 1.930 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.667 1.662 6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.226 0.711 4.844 1.00 0.00 H new ATOM 342 N VAL A 32 -18.426 4.817 1.486 1.00 0.00 N ATOM 343 CA VAL A 32 -18.407 6.245 1.061 1.00 0.00 C ATOM 344 C VAL A 32 -19.072 6.441 -0.326 1.00 0.00 C ATOM 345 O VAL A 32 -19.199 7.561 -0.824 1.00 0.00 O ATOM 346 CB VAL A 32 -16.946 6.752 1.132 1.00 0.00 C ATOM 347 CG1 VAL A 32 -16.689 8.167 0.586 1.00 0.00 C ATOM 348 CG2 VAL A 32 -16.465 6.790 2.590 1.00 0.00 C ATOM 0 H VAL A 32 -18.001 4.197 0.796 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.010 6.851 1.737 1.00 0.00 H new ATOM 0 HB VAL A 32 -16.412 6.042 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.632 8.410 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -16.969 8.207 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.284 8.887 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -15.436 7.148 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.102 7.461 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -16.515 5.788 3.016 1.00 0.00 H new ATOM 350 N GLY A 33 -19.617 5.360 -0.867 1.00 0.00 N ATOM 351 CA GLY A 33 -20.350 5.357 -2.152 1.00 0.00 C ATOM 352 C GLY A 33 -21.864 5.290 -1.946 1.00 0.00 C ATOM 353 O GLY A 33 -22.615 5.960 -2.650 1.00 0.00 O ATOM 0 H GLY A 33 -19.569 4.440 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.100 6.256 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.027 4.506 -2.752 1.00 0.00 H new ATOM 355 N GLU A 34 -22.267 4.448 -0.990 1.00 0.00 N ATOM 356 CA GLU A 34 -23.684 4.131 -0.666 1.00 0.00 C ATOM 357 C GLU A 34 -23.844 3.221 0.564 1.00 0.00 C ATOM 358 O GLU A 34 -24.183 2.037 0.485 1.00 0.00 O ATOM 359 CB GLU A 34 -24.421 3.555 -1.899 1.00 0.00 C ATOM 360 CG GLU A 34 -23.641 2.477 -2.669 1.00 0.00 C ATOM 361 CD GLU A 34 -24.331 1.116 -2.638 1.00 0.00 C ATOM 362 OE1 GLU A 34 -23.705 0.070 -2.460 1.00 0.00 O ATOM 363 OE2 GLU A 34 -25.646 1.086 -2.936 1.00 0.00 O ATOM 0 H GLU A 34 -21.606 3.947 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 34 -24.153 5.077 -0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -25.371 3.133 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -24.653 4.373 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -23.518 2.794 -3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -22.642 2.383 -2.243 1.00 0.00 H new ATOM 366 N ARG A 35 -23.562 3.800 1.735 1.00 0.00 N ATOM 367 CA ARG A 35 -23.744 3.124 3.042 1.00 0.00 C ATOM 368 C ARG A 35 -24.431 4.001 4.102 1.00 0.00 C ATOM 369 O ARG A 35 -24.021 5.179 4.230 1.00 0.00 O ATOM 370 CB ARG A 35 -22.388 2.601 3.523 1.00 0.00 C ATOM 371 CG ARG A 35 -22.386 2.020 4.940 1.00 0.00 C ATOM 372 CD ARG A 35 -21.514 0.763 5.045 1.00 0.00 C ATOM 373 NE ARG A 35 -22.245 -0.410 4.541 1.00 0.00 N ATOM 374 CZ ARG A 35 -21.849 -1.222 3.554 1.00 0.00 C ATOM 375 NH1 ARG A 35 -20.935 -0.885 2.669 1.00 0.00 N ATOM 376 NH2 ARG A 35 -22.107 -2.514 3.682 1.00 0.00 N ATOM 377 OXT ARG A 35 -25.342 3.477 4.778 1.00 0.00 O ATOM 0 H ARG A 35 -23.201 4.751 1.813 1.00 0.00 H new ATOM 0 HA ARG A 35 -24.429 2.289 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.045 1.832 2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -21.665 3.415 3.479 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -22.023 2.773 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -23.407 1.778 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -20.596 0.901 4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -21.223 0.600 6.083 1.00 0.00 H new ATOM 0 HE ARG A 35 -23.138 -0.624 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -20.493 0.033 2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.669 -1.542 1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -22.591 -2.858 4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -21.821 -3.166 2.951 1.00 0.00 H new TER 384 ARG A 35