USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 367 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= -0.204 (180deg=-0.749) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0501) USER MOD Single : A 23 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.32) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= 0.00117 K(o=0.0012,f=-2.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.063 -8.652 4.635 1.00 0.00 N ATOM 2 CA GLY A 1 -30.032 -8.594 5.707 1.00 0.00 C ATOM 3 C GLY A 1 -29.676 -7.174 6.095 1.00 0.00 C ATOM 4 O GLY A 1 -30.556 -6.361 6.378 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.271 -9.645 4.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.932 -8.183 4.963 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.708 -8.168 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.396 -9.127 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.133 -9.111 5.370 1.00 0.00 H new ATOM 10 N LYS A 2 -28.382 -6.873 6.109 1.00 0.00 N ATOM 11 CA LYS A 2 -27.910 -5.539 6.466 1.00 0.00 C ATOM 12 C LYS A 2 -28.084 -4.572 5.301 1.00 0.00 C ATOM 13 O LYS A 2 -27.783 -4.904 4.153 1.00 0.00 O ATOM 14 CB LYS A 2 -26.440 -5.591 6.888 1.00 0.00 C ATOM 15 CG LYS A 2 -26.242 -5.743 8.388 1.00 0.00 C ATOM 16 CD LYS A 2 -26.918 -7.000 8.915 1.00 0.00 C ATOM 17 CE LYS A 2 -26.021 -8.219 8.765 1.00 0.00 C ATOM 18 NZ LYS A 2 -25.325 -8.555 10.037 1.00 0.00 N ATOM 0 H LYS A 2 -27.641 -7.534 5.877 1.00 0.00 H new ATOM 0 HA LYS A 2 -28.508 -5.181 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -25.954 -6.424 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -25.943 -4.680 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -25.176 -5.780 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -26.646 -4.870 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -27.175 -6.863 9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -27.852 -7.165 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -26.618 -9.072 8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -25.283 -8.033 7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -24.724 -9.391 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -24.735 -7.751 10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -26.029 -8.758 10.775 1.00 0.00 H new ATOM 32 N ILE A 3 -28.572 -3.372 5.600 1.00 0.00 N ATOM 33 CA ILE A 3 -28.789 -2.359 4.579 1.00 0.00 C ATOM 34 C ILE A 3 -27.466 -1.763 4.101 1.00 0.00 C ATOM 35 O ILE A 3 -27.221 -1.670 2.898 1.00 0.00 O ATOM 36 CB ILE A 3 -29.698 -1.218 5.085 1.00 0.00 C ATOM 37 CG1 ILE A 3 -30.679 -1.724 6.151 1.00 0.00 C ATOM 38 CG2 ILE A 3 -30.454 -0.609 3.922 1.00 0.00 C ATOM 39 CD1 ILE A 3 -30.245 -1.417 7.567 1.00 0.00 C ATOM 0 H ILE A 3 -28.824 -3.079 6.544 1.00 0.00 H new ATOM 0 HA ILE A 3 -29.284 -2.861 3.747 1.00 0.00 H new ATOM 0 HB ILE A 3 -29.069 -0.455 5.544 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -31.657 -1.276 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -30.797 -2.802 6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -31.094 0.195 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -29.745 -0.210 3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -31.068 -1.374 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -30.986 -1.804 8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -29.281 -1.887 7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -30.155 -0.338 7.694 1.00 0.00 H new ATOM 51 N PRO A 4 -26.591 -1.346 5.035 1.00 0.00 N ATOM 52 CA PRO A 4 -25.298 -0.757 4.696 1.00 0.00 C ATOM 53 C PRO A 4 -24.219 -1.808 4.449 1.00 0.00 C ATOM 54 O PRO A 4 -23.120 -1.726 4.997 1.00 0.00 O ATOM 55 CB PRO A 4 -24.968 0.059 5.942 1.00 0.00 C ATOM 56 CG PRO A 4 -25.580 -0.712 7.065 1.00 0.00 C ATOM 57 CD PRO A 4 -26.793 -1.409 6.498 1.00 0.00 C ATOM 0 HA PRO A 4 -25.338 -0.178 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -23.891 0.165 6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -25.382 1.065 5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -24.872 -1.435 7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -25.861 -0.048 7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -26.861 -2.439 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -27.715 -0.910 6.795 1.00 0.00 H new ATOM 65 N VAL A 5 -24.539 -2.796 3.621 1.00 0.00 N ATOM 66 CA VAL A 5 -23.604 -3.862 3.301 1.00 0.00 C ATOM 67 C VAL A 5 -22.648 -3.432 2.192 1.00 0.00 C ATOM 68 O VAL A 5 -21.488 -3.841 2.166 1.00 0.00 O ATOM 69 CB VAL A 5 -24.359 -5.134 2.871 1.00 0.00 C ATOM 70 CG1 VAL A 5 -23.401 -6.175 2.329 1.00 0.00 C ATOM 71 CG2 VAL A 5 -25.163 -5.695 4.035 1.00 0.00 C ATOM 0 H VAL A 5 -25.444 -2.879 3.158 1.00 0.00 H new ATOM 0 HA VAL A 5 -23.025 -4.078 4.199 1.00 0.00 H new ATOM 0 HB VAL A 5 -25.051 -4.866 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -23.959 -7.063 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -22.876 -5.771 1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -22.678 -6.441 3.100 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -25.690 -6.593 3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -24.490 -5.943 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -25.885 -4.951 4.370 1.00 0.00 H new ATOM 81 N LYS A 6 -23.142 -2.601 1.277 1.00 0.00 N ATOM 82 CA LYS A 6 -22.331 -2.119 0.168 1.00 0.00 C ATOM 83 C LYS A 6 -21.136 -1.320 0.677 1.00 0.00 C ATOM 84 O LYS A 6 -20.045 -1.386 0.109 1.00 0.00 O ATOM 85 CB LYS A 6 -23.174 -1.254 -0.771 1.00 0.00 C ATOM 86 CG LYS A 6 -22.616 -1.166 -2.182 1.00 0.00 C ATOM 87 CD LYS A 6 -22.912 -2.427 -2.978 1.00 0.00 C ATOM 88 CE LYS A 6 -23.151 -2.115 -4.445 1.00 0.00 C ATOM 89 NZ LYS A 6 -24.336 -1.233 -4.641 1.00 0.00 N ATOM 0 H LYS A 6 -24.099 -2.249 1.284 1.00 0.00 H new ATOM 0 HA LYS A 6 -21.961 -2.984 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.185 -1.658 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.250 -0.249 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.046 -0.304 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.539 -1.006 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.078 -3.122 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -23.789 -2.923 -2.563 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.267 -1.633 -4.862 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.296 -3.045 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -24.762 -1.425 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -25.035 -1.420 -3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.039 -0.237 -4.596 1.00 0.00 H new ATOM 103 N ALA A 7 -21.348 -0.573 1.753 1.00 0.00 N ATOM 104 CA ALA A 7 -20.287 0.236 2.341 1.00 0.00 C ATOM 105 C ALA A 7 -19.113 -0.639 2.770 1.00 0.00 C ATOM 106 O ALA A 7 -17.952 -0.295 2.543 1.00 0.00 O ATOM 107 CB ALA A 7 -20.819 1.027 3.527 1.00 0.00 C ATOM 0 H ALA A 7 -22.244 -0.510 2.236 1.00 0.00 H new ATOM 0 HA ALA A 7 -19.933 0.936 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -20.015 1.626 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -21.623 1.684 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -21.200 0.339 4.282 1.00 0.00 H new ATOM 113 N ILE A 8 -19.424 -1.773 3.387 1.00 0.00 N ATOM 114 CA ILE A 8 -18.399 -2.701 3.846 1.00 0.00 C ATOM 115 C ILE A 8 -17.702 -3.369 2.669 1.00 0.00 C ATOM 116 O ILE A 8 -16.474 -3.372 2.577 1.00 0.00 O ATOM 117 CB ILE A 8 -18.992 -3.795 4.754 1.00 0.00 C ATOM 118 CG1 ILE A 8 -19.939 -3.186 5.790 1.00 0.00 C ATOM 119 CG2 ILE A 8 -17.880 -4.574 5.441 1.00 0.00 C ATOM 120 CD1 ILE A 8 -21.204 -3.990 5.989 1.00 0.00 C ATOM 0 H ILE A 8 -20.380 -2.072 3.581 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.678 -2.116 4.416 1.00 0.00 H new ATOM 0 HB ILE A 8 -19.565 -4.483 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -19.417 -3.101 6.743 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -20.204 -2.175 5.480 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -18.315 -5.343 6.079 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -17.246 -5.043 4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -17.282 -3.895 6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -21.831 -3.503 6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -21.747 -4.054 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -20.948 -4.993 6.329 1.00 0.00 H new ATOM 132 N LYS A 9 -18.498 -3.934 1.770 1.00 0.00 N ATOM 133 CA LYS A 9 -17.969 -4.614 0.591 1.00 0.00 C ATOM 134 C LYS A 9 -17.046 -3.698 -0.202 1.00 0.00 C ATOM 135 O LYS A 9 -15.905 -4.051 -0.497 1.00 0.00 O ATOM 136 CB LYS A 9 -19.113 -5.101 -0.298 1.00 0.00 C ATOM 137 CG LYS A 9 -19.597 -6.500 0.044 1.00 0.00 C ATOM 138 CD LYS A 9 -18.713 -7.565 -0.582 1.00 0.00 C ATOM 139 CE LYS A 9 -17.644 -8.043 0.388 1.00 0.00 C ATOM 140 NZ LYS A 9 -17.266 -9.462 0.144 1.00 0.00 N ATOM 0 H LYS A 9 -19.516 -3.935 1.834 1.00 0.00 H new ATOM 0 HA LYS A 9 -17.390 -5.473 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -19.948 -4.406 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.787 -5.083 -1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -19.610 -6.627 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -20.622 -6.626 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.326 -8.410 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.240 -7.165 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.761 -7.411 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.007 -7.935 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.535 -9.749 0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.103 -10.069 0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.895 -9.561 -0.823 1.00 0.00 H new ATOM 154 N GLN A 10 -17.549 -2.519 -0.545 1.00 0.00 N ATOM 155 CA GLN A 10 -16.771 -1.549 -1.304 1.00 0.00 C ATOM 156 C GLN A 10 -15.551 -1.093 -0.512 1.00 0.00 C ATOM 157 O GLN A 10 -14.500 -0.801 -1.084 1.00 0.00 O ATOM 158 CB GLN A 10 -17.640 -0.343 -1.671 1.00 0.00 C ATOM 159 CG GLN A 10 -17.516 0.075 -3.127 1.00 0.00 C ATOM 160 CD GLN A 10 -18.510 1.152 -3.512 1.00 0.00 C ATOM 161 OE1 GLN A 10 -18.341 2.322 -3.170 1.00 0.00 O ATOM 162 NE2 GLN A 10 -19.559 0.760 -4.228 1.00 0.00 N ATOM 0 H GLN A 10 -18.493 -2.212 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.427 -2.030 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.683 -0.578 -1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.366 0.499 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -16.505 0.437 -3.312 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -17.665 -0.796 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.660 -0.221 -4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.263 1.440 -4.515 1.00 0.00 H new ATOM 171 N ALA A 11 -15.696 -1.038 0.808 1.00 0.00 N ATOM 172 CA ALA A 11 -14.604 -0.624 1.679 1.00 0.00 C ATOM 173 C ALA A 11 -13.522 -1.691 1.741 1.00 0.00 C ATOM 174 O ALA A 11 -12.329 -1.384 1.776 1.00 0.00 O ATOM 175 CB ALA A 11 -15.127 -0.314 3.073 1.00 0.00 C ATOM 0 H ALA A 11 -16.559 -1.275 1.297 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.162 0.281 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.299 -0.006 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.860 0.491 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.597 -1.204 3.492 1.00 0.00 H new ATOM 181 N GLY A 12 -13.945 -2.949 1.752 1.00 0.00 N ATOM 182 CA GLY A 12 -13.001 -4.049 1.806 1.00 0.00 C ATOM 183 C GLY A 12 -12.193 -4.177 0.528 1.00 0.00 C ATOM 184 O GLY A 12 -11.087 -4.717 0.538 1.00 0.00 O ATOM 0 H GLY A 12 -14.926 -3.227 1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.324 -3.903 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.540 -4.979 1.987 1.00 0.00 H new ATOM 188 N LYS A 13 -12.750 -3.681 -0.571 1.00 0.00 N ATOM 189 CA LYS A 13 -12.075 -3.741 -1.863 1.00 0.00 C ATOM 190 C LYS A 13 -10.955 -2.707 -1.942 1.00 0.00 C ATOM 191 O LYS A 13 -9.872 -2.989 -2.452 1.00 0.00 O ATOM 192 CB LYS A 13 -13.082 -3.515 -2.995 1.00 0.00 C ATOM 193 CG LYS A 13 -13.278 -4.733 -3.885 1.00 0.00 C ATOM 194 CD LYS A 13 -14.546 -5.492 -3.524 1.00 0.00 C ATOM 195 CE LYS A 13 -14.265 -6.967 -3.284 1.00 0.00 C ATOM 196 NZ LYS A 13 -15.341 -7.615 -2.483 1.00 0.00 N ATOM 0 H LYS A 13 -13.666 -3.233 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.633 -4.732 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.042 -3.231 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.747 -2.678 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.326 -4.419 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.417 -5.395 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.990 -5.055 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.276 -5.386 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.168 -7.478 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.312 -7.075 -2.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.112 -8.619 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.417 -7.144 -1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.246 -7.535 -2.988 1.00 0.00 H new ATOM 210 N VAL A 14 -11.226 -1.508 -1.432 1.00 0.00 N ATOM 211 CA VAL A 14 -10.247 -0.434 -1.443 1.00 0.00 C ATOM 212 C VAL A 14 -8.987 -0.826 -0.679 1.00 0.00 C ATOM 213 O VAL A 14 -7.883 -0.416 -1.036 1.00 0.00 O ATOM 214 CB VAL A 14 -10.828 0.851 -0.827 1.00 0.00 C ATOM 215 CG1 VAL A 14 -9.939 2.034 -1.150 1.00 0.00 C ATOM 216 CG2 VAL A 14 -12.248 1.096 -1.317 1.00 0.00 C ATOM 0 H VAL A 14 -12.119 -1.259 -1.006 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.989 -0.249 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.864 0.727 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.361 2.937 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.943 1.862 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.873 2.155 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.636 2.010 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.246 1.199 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.881 0.255 -1.033 1.00 0.00 H new ATOM 226 N ILE A 15 -9.159 -1.622 0.370 1.00 0.00 N ATOM 227 CA ILE A 15 -8.034 -2.069 1.182 1.00 0.00 C ATOM 228 C ILE A 15 -7.105 -2.973 0.379 1.00 0.00 C ATOM 229 O ILE A 15 -5.884 -2.875 0.485 1.00 0.00 O ATOM 230 CB ILE A 15 -8.512 -2.822 2.442 1.00 0.00 C ATOM 231 CG1 ILE A 15 -9.518 -1.971 3.221 1.00 0.00 C ATOM 232 CG2 ILE A 15 -7.327 -3.192 3.325 1.00 0.00 C ATOM 233 CD1 ILE A 15 -10.282 -2.748 4.270 1.00 0.00 C ATOM 0 H ILE A 15 -10.067 -1.971 0.678 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.490 -1.177 1.490 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.006 -3.742 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.990 -1.148 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.226 -1.528 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.683 -3.722 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.644 -3.833 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.805 -2.286 3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.976 -2.082 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.838 -3.554 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.583 -3.168 4.993 1.00 0.00 H new ATOM 245 N GLY A 16 -7.693 -3.852 -0.426 1.00 0.00 N ATOM 246 CA GLY A 16 -6.901 -4.758 -1.237 1.00 0.00 C ATOM 247 C GLY A 16 -6.126 -4.036 -2.318 1.00 0.00 C ATOM 248 O GLY A 16 -4.975 -4.375 -2.598 1.00 0.00 O ATOM 0 H GLY A 16 -8.703 -3.953 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.206 -5.301 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.557 -5.498 -1.696 1.00 0.00 H new ATOM 252 N LYS A 17 -6.755 -3.037 -2.928 1.00 0.00 N ATOM 253 CA LYS A 17 -6.115 -2.264 -3.986 1.00 0.00 C ATOM 254 C LYS A 17 -4.832 -1.622 -3.478 1.00 0.00 C ATOM 255 O LYS A 17 -3.763 -1.794 -4.066 1.00 0.00 O ATOM 256 CB LYS A 17 -7.068 -1.189 -4.513 1.00 0.00 C ATOM 257 CG LYS A 17 -6.972 -0.972 -6.013 1.00 0.00 C ATOM 258 CD LYS A 17 -8.311 -0.560 -6.605 1.00 0.00 C ATOM 259 CE LYS A 17 -9.055 -1.753 -7.183 1.00 0.00 C ATOM 260 NZ LYS A 17 -9.744 -2.544 -6.126 1.00 0.00 N ATOM 0 H LYS A 17 -7.707 -2.744 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.865 -2.942 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.091 -1.467 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.858 -0.248 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.228 -0.203 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.628 -1.888 -6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.921 -0.088 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.152 0.184 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.787 -1.406 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.354 -2.394 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.308 -3.298 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.036 -2.968 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.370 -1.920 -5.578 1.00 0.00 H new ATOM 274 N GLY A 18 -4.944 -0.894 -2.377 1.00 0.00 N ATOM 275 CA GLY A 18 -3.784 -0.248 -1.798 1.00 0.00 C ATOM 276 C GLY A 18 -2.743 -1.255 -1.356 1.00 0.00 C ATOM 277 O GLY A 18 -1.544 -0.976 -1.387 1.00 0.00 O ATOM 0 H GLY A 18 -5.818 -0.739 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.345 0.433 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.092 0.355 -0.944 1.00 0.00 H new ATOM 281 N LEU A 19 -3.206 -2.432 -0.950 1.00 0.00 N ATOM 282 CA LEU A 19 -2.312 -3.494 -0.507 1.00 0.00 C ATOM 283 C LEU A 19 -1.458 -3.992 -1.667 1.00 0.00 C ATOM 284 O LEU A 19 -0.281 -4.301 -1.497 1.00 0.00 O ATOM 285 CB LEU A 19 -3.116 -4.650 0.092 1.00 0.00 C ATOM 286 CG LEU A 19 -2.550 -5.234 1.389 1.00 0.00 C ATOM 287 CD1 LEU A 19 -1.257 -5.984 1.118 1.00 0.00 C ATOM 288 CD2 LEU A 19 -2.325 -4.132 2.415 1.00 0.00 C ATOM 0 H LEU A 19 -4.196 -2.674 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.652 -3.091 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.133 -4.305 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.182 -5.447 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.275 -5.939 1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.870 -6.392 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.448 -6.798 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.524 -5.301 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.922 -4.564 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.619 -3.403 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.272 -3.638 2.633 1.00 0.00 H new ATOM 300 N ARG A 20 -2.062 -4.061 -2.852 1.00 0.00 N ATOM 301 CA ARG A 20 -1.354 -4.519 -4.041 1.00 0.00 C ATOM 302 C ARG A 20 -0.134 -3.650 -4.310 1.00 0.00 C ATOM 303 O ARG A 20 0.931 -4.150 -4.673 1.00 0.00 O ATOM 304 CB ARG A 20 -2.287 -4.501 -5.254 1.00 0.00 C ATOM 305 CG ARG A 20 -3.237 -5.683 -5.309 1.00 0.00 C ATOM 306 CD ARG A 20 -2.494 -6.992 -5.537 1.00 0.00 C ATOM 307 NE ARG A 20 -3.043 -7.744 -6.663 1.00 0.00 N ATOM 308 CZ ARG A 20 -2.774 -7.473 -7.938 1.00 0.00 C ATOM 309 NH1 ARG A 20 -1.960 -6.472 -8.253 1.00 0.00 N ATOM 310 NH2 ARG A 20 -3.319 -8.205 -8.899 1.00 0.00 N ATOM 0 H ARG A 20 -3.037 -3.806 -3.012 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.019 -5.541 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.868 -3.579 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.686 -4.486 -6.163 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.800 -5.741 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.961 -5.531 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.440 -6.783 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.547 -7.601 -4.634 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.670 -8.523 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.538 -5.907 -7.516 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.757 -6.268 -9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.944 -8.975 -8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.114 -7.998 -9.876 1.00 0.00 H new ATOM 324 N ALA A 21 -0.292 -2.347 -4.119 1.00 0.00 N ATOM 325 CA ALA A 21 0.801 -1.405 -4.332 1.00 0.00 C ATOM 326 C ALA A 21 1.843 -1.537 -3.232 1.00 0.00 C ATOM 327 O ALA A 21 3.046 -1.519 -3.496 1.00 0.00 O ATOM 328 CB ALA A 21 0.270 0.019 -4.399 1.00 0.00 C ATOM 0 H ALA A 21 -1.166 -1.917 -3.817 1.00 0.00 H new ATOM 0 HA ALA A 21 1.278 -1.640 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.099 0.709 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.438 0.105 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.232 0.265 -3.463 1.00 0.00 H new ATOM 334 N ILE A 22 1.372 -1.680 -2.000 1.00 0.00 N ATOM 335 CA ILE A 22 2.262 -1.826 -0.856 1.00 0.00 C ATOM 336 C ILE A 22 2.992 -3.164 -0.905 1.00 0.00 C ATOM 337 O ILE A 22 4.085 -3.307 -0.357 1.00 0.00 O ATOM 338 CB ILE A 22 1.490 -1.720 0.476 1.00 0.00 C ATOM 339 CG1 ILE A 22 0.667 -0.432 0.513 1.00 0.00 C ATOM 340 CG2 ILE A 22 2.452 -1.773 1.654 1.00 0.00 C ATOM 341 CD1 ILE A 22 -0.557 -0.523 1.396 1.00 0.00 C ATOM 0 H ILE A 22 0.379 -1.698 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 22 2.987 -1.014 -0.908 1.00 0.00 H new ATOM 0 HB ILE A 22 0.809 -2.567 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.299 0.384 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.356 -0.180 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.891 -1.697 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.998 -2.716 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.156 -0.944 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.093 0.426 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.210 -1.316 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.252 -0.744 2.419 1.00 0.00 H new ATOM 353 N ASN A 23 2.383 -4.144 -1.572 1.00 0.00 N ATOM 354 CA ASN A 23 2.979 -5.467 -1.696 1.00 0.00 C ATOM 355 C ASN A 23 4.197 -5.429 -2.615 1.00 0.00 C ATOM 356 O ASN A 23 5.188 -6.122 -2.376 1.00 0.00 O ATOM 357 CB ASN A 23 1.952 -6.465 -2.233 1.00 0.00 C ATOM 358 CG ASN A 23 2.027 -7.808 -1.533 1.00 0.00 C ATOM 359 OD1 ASN A 23 3.095 -8.235 -1.100 1.00 0.00 O ATOM 360 ND2 ASN A 23 0.886 -8.479 -1.419 1.00 0.00 N ATOM 0 H ASN A 23 1.479 -4.044 -2.033 1.00 0.00 H new ATOM 0 HA ASN A 23 3.302 -5.787 -0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.951 -6.051 -2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.112 -6.606 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.873 -9.388 -0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.023 -8.085 -1.794 1.00 0.00 H new ATOM 367 N ILE A 24 4.117 -4.618 -3.664 1.00 0.00 N ATOM 368 CA ILE A 24 5.213 -4.492 -4.615 1.00 0.00 C ATOM 369 C ILE A 24 6.418 -3.808 -3.978 1.00 0.00 C ATOM 370 O ILE A 24 7.562 -4.060 -4.358 1.00 0.00 O ATOM 371 CB ILE A 24 4.784 -3.700 -5.865 1.00 0.00 C ATOM 372 CG1 ILE A 24 3.507 -4.292 -6.460 1.00 0.00 C ATOM 373 CG2 ILE A 24 5.902 -3.694 -6.899 1.00 0.00 C ATOM 374 CD1 ILE A 24 2.697 -3.301 -7.266 1.00 0.00 C ATOM 0 H ILE A 24 3.305 -4.039 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 24 5.491 -5.503 -4.914 1.00 0.00 H new ATOM 0 HB ILE A 24 4.581 -2.670 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.771 -5.136 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.888 -4.683 -5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.583 -3.131 -7.776 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.790 -3.229 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.134 -4.718 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.806 -3.792 -7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.402 -2.468 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.299 -2.928 -8.095 1.00 0.00 H new ATOM 386 N ALA A 25 6.156 -2.942 -3.004 1.00 0.00 N ATOM 387 CA ALA A 25 7.218 -2.222 -2.313 1.00 0.00 C ATOM 388 C ALA A 25 7.688 -2.984 -1.079 1.00 0.00 C ATOM 389 O ALA A 25 8.835 -2.845 -0.651 1.00 0.00 O ATOM 390 CB ALA A 25 6.748 -0.828 -1.928 1.00 0.00 C ATOM 0 H ALA A 25 5.216 -2.722 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 25 8.064 -2.133 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.552 -0.302 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.471 -0.276 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.884 -0.905 -1.269 1.00 0.00 H new ATOM 396 N GLY A 26 6.797 -3.788 -0.506 1.00 0.00 N ATOM 397 CA GLY A 26 7.141 -4.556 0.675 1.00 0.00 C ATOM 398 C GLY A 26 7.858 -5.850 0.337 1.00 0.00 C ATOM 399 O GLY A 26 8.682 -6.330 1.115 1.00 0.00 O ATOM 0 H GLY A 26 5.842 -3.921 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.774 -3.953 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.233 -4.782 1.235 1.00 0.00 H new ATOM 403 N THR A 27 7.544 -6.413 -0.824 1.00 0.00 N ATOM 404 CA THR A 27 8.164 -7.657 -1.262 1.00 0.00 C ATOM 405 C THR A 27 9.629 -7.439 -1.625 1.00 0.00 C ATOM 406 O THR A 27 10.483 -8.279 -1.339 1.00 0.00 O ATOM 407 CB THR A 27 7.410 -8.234 -2.460 1.00 0.00 C ATOM 408 OG1 THR A 27 8.023 -9.428 -2.912 1.00 0.00 O ATOM 409 CG2 THR A 27 7.337 -7.283 -3.634 1.00 0.00 C ATOM 0 H THR A 27 6.864 -6.027 -1.479 1.00 0.00 H new ATOM 0 HA THR A 27 8.116 -8.366 -0.436 1.00 0.00 H new ATOM 0 HB THR A 27 6.398 -8.422 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.525 -9.782 -3.678 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.789 -7.754 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.824 -6.370 -3.331 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.346 -7.039 -3.967 1.00 0.00 H new ATOM 417 N THR A 28 9.913 -6.305 -2.256 1.00 0.00 N ATOM 418 CA THR A 28 11.276 -5.975 -2.659 1.00 0.00 C ATOM 419 C THR A 28 12.165 -5.749 -1.440 1.00 0.00 C ATOM 420 O THR A 28 13.367 -6.011 -1.479 1.00 0.00 O ATOM 421 CB THR A 28 11.281 -4.731 -3.547 1.00 0.00 C ATOM 422 OG1 THR A 28 12.606 -4.369 -3.895 1.00 0.00 O ATOM 423 CG2 THR A 28 10.633 -3.527 -2.895 1.00 0.00 C ATOM 0 H THR A 28 9.218 -5.599 -2.500 1.00 0.00 H new ATOM 0 HA THR A 28 11.674 -6.817 -3.225 1.00 0.00 H new ATOM 0 HB THR A 28 10.701 -5.003 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.588 -3.572 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.670 -2.679 -3.579 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.594 -3.757 -2.658 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.168 -3.278 -1.978 1.00 0.00 H new ATOM 431 N HIS A 29 11.565 -5.264 -0.358 1.00 0.00 N ATOM 432 CA HIS A 29 12.303 -5.004 0.872 1.00 0.00 C ATOM 433 C HIS A 29 12.794 -6.305 1.501 1.00 0.00 C ATOM 434 O HIS A 29 13.824 -6.332 2.174 1.00 0.00 O ATOM 435 CB HIS A 29 11.428 -4.241 1.868 1.00 0.00 C ATOM 436 CG HIS A 29 12.194 -3.660 3.016 1.00 0.00 C ATOM 437 ND1 HIS A 29 13.540 -3.884 3.212 1.00 0.00 N ATOM 438 CD2 HIS A 29 11.797 -2.859 4.033 1.00 0.00 C ATOM 439 CE1 HIS A 29 13.938 -3.246 4.300 1.00 0.00 C ATOM 440 NE2 HIS A 29 12.897 -2.617 4.815 1.00 0.00 N ATOM 0 H HIS A 29 10.570 -5.043 -0.308 1.00 0.00 H new ATOM 0 HA HIS A 29 13.171 -4.394 0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 29 10.911 -3.438 1.343 1.00 0.00 H new ATOM 0 HB3 HIS A 29 10.663 -4.913 2.256 1.00 0.00 H new ATOM 0 HD1 HIS A 29 14.136 -4.453 2.611 1.00 0.00 H new ATOM 0 HD2 HIS A 29 10.799 -2.481 4.198 1.00 0.00 H new ATOM 0 HE1 HIS A 29 14.942 -3.240 4.699 1.00 0.00 H new ATOM 449 N ASP A 30 12.048 -7.382 1.276 1.00 0.00 N ATOM 450 CA ASP A 30 12.405 -8.687 1.817 1.00 0.00 C ATOM 451 C ASP A 30 13.585 -9.284 1.059 1.00 0.00 C ATOM 452 O ASP A 30 14.601 -9.647 1.653 1.00 0.00 O ATOM 453 CB ASP A 30 11.207 -9.633 1.746 1.00 0.00 C ATOM 454 CG ASP A 30 10.923 -10.312 3.074 1.00 0.00 C ATOM 455 OD1 ASP A 30 11.583 -11.329 3.372 1.00 0.00 O ATOM 456 OD2 ASP A 30 10.044 -9.824 3.814 1.00 0.00 O ATOM 0 H ASP A 30 11.192 -7.376 0.722 1.00 0.00 H new ATOM 0 HA ASP A 30 12.695 -8.556 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.325 -9.075 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.392 -10.392 0.986 1.00 0.00 H new ATOM 461 N VAL A 31 13.441 -9.385 -0.259 1.00 0.00 N ATOM 462 CA VAL A 31 14.485 -9.938 -1.109 1.00 0.00 C ATOM 463 C VAL A 31 15.829 -9.266 -0.850 1.00 0.00 C ATOM 464 O VAL A 31 16.860 -9.933 -0.758 1.00 0.00 O ATOM 465 CB VAL A 31 14.125 -9.782 -2.598 1.00 0.00 C ATOM 466 CG1 VAL A 31 15.047 -10.628 -3.450 1.00 0.00 C ATOM 467 CG2 VAL A 31 12.671 -10.157 -2.848 1.00 0.00 C ATOM 0 H VAL A 31 12.605 -9.088 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 31 14.565 -10.997 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 31 14.255 -8.736 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 31 14.782 -10.509 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.078 -10.309 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.945 -11.676 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.442 -10.038 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.507 -11.194 -2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 31 12.022 -9.507 -2.261 1.00 0.00 H new ATOM 477 N VAL A 32 15.808 -7.947 -0.733 1.00 0.00 N ATOM 478 CA VAL A 32 17.024 -7.181 -0.484 1.00 0.00 C ATOM 479 C VAL A 32 17.622 -7.523 0.877 1.00 0.00 C ATOM 480 O VAL A 32 18.834 -7.447 1.071 1.00 0.00 O ATOM 481 CB VAL A 32 16.757 -5.664 -0.549 1.00 0.00 C ATOM 482 CG1 VAL A 32 18.059 -4.885 -0.439 1.00 0.00 C ATOM 483 CG2 VAL A 32 16.021 -5.305 -1.831 1.00 0.00 C ATOM 0 H VAL A 32 14.962 -7.382 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 32 17.733 -7.451 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 32 16.125 -5.390 0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.849 -3.817 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 32 18.543 -5.117 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.719 -5.162 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.842 -4.230 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 32 16.625 -5.594 -2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.068 -5.833 -1.863 1.00 0.00 H new ATOM 493 N SER A 33 16.761 -7.901 1.818 1.00 0.00 N ATOM 494 CA SER A 33 17.203 -8.256 3.160 1.00 0.00 C ATOM 495 C SER A 33 17.780 -9.668 3.195 1.00 0.00 C ATOM 496 O SER A 33 18.621 -9.985 4.037 1.00 0.00 O ATOM 497 CB SER A 33 16.040 -8.145 4.147 1.00 0.00 C ATOM 498 OG SER A 33 16.480 -7.661 5.404 1.00 0.00 O ATOM 0 H SER A 33 15.753 -7.969 1.674 1.00 0.00 H new ATOM 0 HA SER A 33 17.989 -7.558 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.279 -7.477 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 33 15.572 -9.121 4.274 1.00 0.00 H new ATOM 0 HG SER A 33 15.717 -7.598 6.016 1.00 0.00 H new ATOM 504 N PHE A 34 17.322 -10.515 2.277 1.00 0.00 N ATOM 505 CA PHE A 34 17.793 -11.894 2.208 1.00 0.00 C ATOM 506 C PHE A 34 19.019 -12.010 1.307 1.00 0.00 C ATOM 507 O PHE A 34 19.928 -12.795 1.575 1.00 0.00 O ATOM 508 CB PHE A 34 16.679 -12.809 1.695 1.00 0.00 C ATOM 509 CG PHE A 34 16.551 -14.090 2.470 1.00 0.00 C ATOM 510 CD1 PHE A 34 17.617 -14.971 2.559 1.00 0.00 C ATOM 511 CD2 PHE A 34 15.364 -14.414 3.108 1.00 0.00 C ATOM 512 CE1 PHE A 34 17.501 -16.151 3.270 1.00 0.00 C ATOM 513 CE2 PHE A 34 15.243 -15.591 3.821 1.00 0.00 C ATOM 514 CZ PHE A 34 16.312 -16.461 3.901 1.00 0.00 C ATOM 0 H PHE A 34 16.626 -10.271 1.572 1.00 0.00 H new ATOM 0 HA PHE A 34 18.076 -12.205 3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 34 15.731 -12.272 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 34 16.867 -13.045 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 34 18.549 -14.733 2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 34 14.524 -13.738 3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 34 18.339 -16.830 3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 34 14.313 -15.830 4.315 1.00 0.00 H new ATOM 0 HZ PHE A 34 16.219 -17.383 4.456 1.00 0.00 H new ATOM 524 N PHE A 35 19.036 -11.223 0.235 1.00 0.00 N ATOM 525 CA PHE A 35 20.150 -11.239 -0.707 1.00 0.00 C ATOM 526 C PHE A 35 21.401 -10.628 -0.082 1.00 0.00 C ATOM 527 O PHE A 35 22.524 -10.996 -0.430 1.00 0.00 O ATOM 528 CB PHE A 35 19.776 -10.481 -1.984 1.00 0.00 C ATOM 529 CG PHE A 35 19.995 -11.277 -3.239 1.00 0.00 C ATOM 530 CD1 PHE A 35 19.049 -12.195 -3.667 1.00 0.00 C ATOM 531 CD2 PHE A 35 21.147 -11.108 -3.990 1.00 0.00 C ATOM 532 CE1 PHE A 35 19.248 -12.929 -4.821 1.00 0.00 C ATOM 533 CE2 PHE A 35 21.352 -11.839 -5.145 1.00 0.00 C ATOM 534 CZ PHE A 35 20.400 -12.750 -5.562 1.00 0.00 C ATOM 0 H PHE A 35 18.292 -10.567 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 35 20.365 -12.277 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 35 18.728 -10.186 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 35 20.363 -9.564 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.146 -12.338 -3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 35 21.894 -10.397 -3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.503 -13.642 -5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 35 22.255 -11.698 -5.721 1.00 0.00 H new ATOM 0 HZ PHE A 35 20.556 -13.321 -6.465 1.00 0.00 H new ATOM 544 N ARG A 36 21.202 -9.692 0.841 1.00 0.00 N ATOM 545 CA ARG A 36 22.315 -9.030 1.513 1.00 0.00 C ATOM 546 C ARG A 36 23.205 -10.046 2.230 1.00 0.00 C ATOM 547 O ARG A 36 24.388 -10.176 1.915 1.00 0.00 O ATOM 548 CB ARG A 36 21.791 -7.995 2.511 1.00 0.00 C ATOM 549 CG ARG A 36 21.659 -6.598 1.925 1.00 0.00 C ATOM 550 CD ARG A 36 23.001 -5.886 1.872 1.00 0.00 C ATOM 551 NE ARG A 36 23.296 -5.183 3.118 1.00 0.00 N ATOM 552 CZ ARG A 36 22.773 -4.004 3.445 1.00 0.00 C ATOM 553 NH1 ARG A 36 21.928 -3.393 2.623 1.00 0.00 N ATOM 554 NH2 ARG A 36 23.092 -3.431 4.598 1.00 0.00 N ATOM 0 H ARG A 36 20.280 -9.375 1.141 1.00 0.00 H new ATOM 0 HA ARG A 36 22.915 -8.524 0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 36 20.818 -8.319 2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 36 22.462 -7.958 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.240 -6.662 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.960 -6.015 2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 36 23.789 -6.612 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 36 23.002 -5.175 1.046 1.00 0.00 H new ATOM 0 HE ARG A 36 23.941 -5.621 3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.676 -3.827 1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 36 21.531 -2.489 2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.739 -3.894 5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.690 -2.527 4.847 1.00 0.00 H new ATOM 568 N PRO A 37 22.645 -10.781 3.207 1.00 0.00 N ATOM 569 CA PRO A 37 23.400 -11.785 3.964 1.00 0.00 C ATOM 570 C PRO A 37 23.765 -12.999 3.114 1.00 0.00 C ATOM 571 O PRO A 37 23.059 -13.337 2.162 1.00 0.00 O ATOM 572 CB PRO A 37 22.435 -12.188 5.084 1.00 0.00 C ATOM 573 CG PRO A 37 21.080 -11.896 4.539 1.00 0.00 C ATOM 574 CD PRO A 37 21.240 -10.696 3.649 1.00 0.00 C ATOM 0 HA PRO A 37 24.351 -11.392 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 37 22.541 -13.243 5.338 1.00 0.00 H new ATOM 0 HB3 PRO A 37 22.626 -11.621 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 37 20.693 -12.748 3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.372 -11.694 5.342 1.00 0.00 H new ATOM 0 HD2 PRO A 37 20.551 -10.727 2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 37 21.044 -9.768 4.187 1.00 0.00 H new ATOM 582 N LYS A 38 24.870 -13.648 3.465 1.00 0.00 N ATOM 583 CA LYS A 38 25.329 -14.823 2.733 1.00 0.00 C ATOM 584 C LYS A 38 26.454 -15.527 3.486 1.00 0.00 C ATOM 585 O LYS A 38 27.372 -16.077 2.877 1.00 0.00 O ATOM 586 CB LYS A 38 25.803 -14.425 1.333 1.00 0.00 C ATOM 587 CG LYS A 38 25.217 -15.284 0.226 1.00 0.00 C ATOM 588 CD LYS A 38 24.865 -14.455 -0.998 1.00 0.00 C ATOM 589 CE LYS A 38 24.497 -15.336 -2.184 1.00 0.00 C ATOM 590 NZ LYS A 38 23.355 -14.778 -2.958 1.00 0.00 N ATOM 0 H LYS A 38 25.464 -13.381 4.250 1.00 0.00 H new ATOM 0 HA LYS A 38 24.491 -15.514 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 38 25.539 -13.383 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 38 26.890 -14.489 1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 38 25.932 -16.058 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 38 24.324 -15.791 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.031 -13.793 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.710 -13.820 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.362 -15.442 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.241 -16.334 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.136 -15.407 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 22.522 -14.700 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 23.608 -13.836 -3.319 1.00 0.00 H new ATOM 604 N LYS A 39 26.378 -15.504 4.812 1.00 0.00 N ATOM 605 CA LYS A 39 27.388 -16.139 5.648 1.00 0.00 C ATOM 606 C LYS A 39 26.749 -16.836 6.845 1.00 0.00 C ATOM 607 O LYS A 39 25.753 -16.361 7.391 1.00 0.00 O ATOM 608 CB LYS A 39 28.406 -15.102 6.130 1.00 0.00 C ATOM 609 CG LYS A 39 29.488 -14.790 5.109 1.00 0.00 C ATOM 610 CD LYS A 39 30.513 -13.812 5.664 1.00 0.00 C ATOM 611 CE LYS A 39 31.919 -14.163 5.209 1.00 0.00 C ATOM 612 NZ LYS A 39 32.931 -13.883 6.264 1.00 0.00 N ATOM 0 H LYS A 39 25.626 -15.051 5.331 1.00 0.00 H new ATOM 0 HA LYS A 39 27.900 -16.890 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 39 27.881 -14.181 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 39 28.875 -15.464 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 39 29.987 -15.713 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 39 29.033 -14.371 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 39 30.266 -12.801 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 39 30.470 -13.817 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 39 31.960 -15.218 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 39 32.163 -13.594 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 33.877 -14.136 5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 32.910 -12.872 6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 32.714 -14.445 7.111 1.00 0.00 H new ATOM 626 N LYS A 40 27.328 -17.962 7.246 1.00 0.00 N ATOM 627 CA LYS A 40 26.815 -18.724 8.379 1.00 0.00 C ATOM 628 C LYS A 40 27.350 -18.171 9.695 1.00 0.00 C ATOM 629 O LYS A 40 28.460 -17.639 9.751 1.00 0.00 O ATOM 630 CB LYS A 40 27.191 -20.200 8.240 1.00 0.00 C ATOM 631 CG LYS A 40 26.173 -21.018 7.463 1.00 0.00 C ATOM 632 CD LYS A 40 26.646 -21.299 6.046 1.00 0.00 C ATOM 633 CE LYS A 40 25.614 -22.087 5.255 1.00 0.00 C ATOM 634 NZ LYS A 40 26.048 -23.488 5.014 1.00 0.00 N ATOM 0 H LYS A 40 28.153 -18.368 6.804 1.00 0.00 H new ATOM 0 HA LYS A 40 25.729 -18.633 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 40 28.159 -20.274 7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 40 27.308 -20.631 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 40 25.991 -21.960 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 40 25.224 -20.483 7.431 1.00 0.00 H new ATOM 0 HD2 LYS A 40 26.853 -20.357 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 40 27.582 -21.856 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 40 24.667 -22.089 5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 40 25.435 -21.593 4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 25.316 -23.990 4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 26.938 -23.488 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 26.194 -23.968 5.925 1.00 0.00 H new ATOM 648 N LYS A 41 26.556 -18.298 10.753 1.00 0.00 N ATOM 649 CA LYS A 41 26.953 -17.812 12.069 1.00 0.00 C ATOM 650 C LYS A 41 26.720 -18.875 13.136 1.00 0.00 C ATOM 651 O LYS A 41 26.241 -19.971 12.840 1.00 0.00 O ATOM 652 CB LYS A 41 26.176 -16.542 12.420 1.00 0.00 C ATOM 653 CG LYS A 41 24.674 -16.751 12.504 1.00 0.00 C ATOM 654 CD LYS A 41 24.049 -15.883 13.583 1.00 0.00 C ATOM 655 CE LYS A 41 22.963 -16.629 14.344 1.00 0.00 C ATOM 656 NZ LYS A 41 21.686 -15.867 14.386 1.00 0.00 N ATOM 0 H LYS A 41 25.634 -18.733 10.725 1.00 0.00 H new ATOM 0 HA LYS A 41 28.018 -17.583 12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 41 26.535 -16.159 13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 41 26.387 -15.779 11.671 1.00 0.00 H new ATOM 0 HG2 LYS A 41 24.219 -16.519 11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 41 24.463 -17.800 12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 41 24.821 -15.554 14.279 1.00 0.00 H new ATOM 0 HD3 LYS A 41 23.626 -14.987 13.130 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.792 -17.598 13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 41 23.302 -16.824 15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.974 -16.411 14.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.842 -14.953 14.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.348 -15.703 13.416 1.00 0.00 H new ATOM 670 N HIS A 42 27.063 -18.548 14.377 1.00 0.00 N ATOM 671 CA HIS A 42 26.892 -19.475 15.489 1.00 0.00 C ATOM 672 C HIS A 42 25.429 -19.547 15.916 1.00 0.00 C ATOM 673 O HIS A 42 25.017 -18.721 16.755 1.00 0.00 O ATOM 674 CB HIS A 42 27.761 -19.052 16.674 1.00 0.00 C ATOM 675 CG HIS A 42 29.229 -19.093 16.385 1.00 0.00 C ATOM 676 ND1 HIS A 42 29.753 -19.622 15.224 1.00 0.00 N ATOM 677 CD2 HIS A 42 30.288 -18.666 17.113 1.00 0.00 C ATOM 678 CE1 HIS A 42 31.070 -19.519 15.250 1.00 0.00 C ATOM 679 NE2 HIS A 42 31.419 -18.942 16.385 1.00 0.00 N ATOM 680 OXT HIS A 42 24.706 -20.431 15.406 1.00 0.00 O ATOM 0 H HIS A 42 27.462 -17.646 14.638 1.00 0.00 H new ATOM 0 HA HIS A 42 27.204 -20.464 15.155 1.00 0.00 H new ATOM 0 HB2 HIS A 42 27.486 -18.040 16.973 1.00 0.00 H new ATOM 0 HB3 HIS A 42 27.548 -19.704 17.521 1.00 0.00 H new ATOM 0 HD2 HIS A 42 30.250 -18.196 18.085 1.00 0.00 H new ATOM 0 HE1 HIS A 42 31.746 -19.850 14.475 1.00 0.00 H new ATOM 0 HE2 HIS A 42 32.375 -18.735 16.674 1.00 0.00 H new TER 689 HIS A 42