USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 148:sc= 0.0493 USER MOD Set 1.2: A 62 THR OG1 : rot -33:sc= 2 USER MOD Set 2.1: A 5 THR OG1 : rot 85:sc= 0.982 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.83 K(o=2.8,f=-4.3!) USER MOD Single : A 1 ARG N :NH3+ -162:sc= 1.76 (180deg=1.35) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= 0.375 (180deg=0.0498) USER MOD Single : A 10 GLN : amide:sc= 0.463 K(o=0.46,f=-0.56) USER MOD Single : A 21 THR OG1 : rot -57:sc= 1.32 USER MOD Single : A 24 SER OG : rot 80:sc= 1.09 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0139) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.654 (180deg=-0.654) USER MOD Single : A 44 LYS NZ :NH3+ 136:sc= 0.0733 (180deg=-0.0432) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 1.05 (180deg=0.499) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc=-0.00828 (180deg=-0.0968) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -167:sc= -0.0054 (180deg=-0.194) USER MOD Single : A 53 SER OG : rot 73:sc= 1.19 USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.14) USER MOD Single : A 60 SER OG : rot 68:sc= 1.09 USER MOD Single : A 70 THR OG1 : rot 72:sc= 1.12 USER MOD Single : A 71 MET CE :methyl -170:sc= 0 (180deg=-0.115) USER MOD Single : A 72 MET CE :methyl -179:sc= 0 (180deg=-0.000665) USER MOD Single : A 73 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0305) USER MOD Single : A 76 MET CE :methyl -178:sc= 0 (180deg=-0.00492) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.294 20.011 -6.867 1.00 0.00 N ATOM 2 CA ARG A 1 16.393 19.721 -5.425 1.00 0.00 C ATOM 3 C ARG A 1 15.014 19.720 -4.759 1.00 0.00 C ATOM 4 O ARG A 1 14.772 18.956 -3.826 1.00 0.00 O ATOM 5 CB ARG A 1 17.350 20.717 -4.753 1.00 0.00 C ATOM 6 CG ARG A 1 17.662 20.337 -3.300 1.00 0.00 C ATOM 7 CD ARG A 1 18.676 21.314 -2.697 1.00 0.00 C ATOM 8 NE ARG A 1 18.998 20.946 -1.313 1.00 0.00 N ATOM 9 CZ ARG A 1 19.857 21.608 -0.525 1.00 0.00 C ATOM 10 NH1 ARG A 1 20.492 22.693 -0.980 1.00 0.00 N ATOM 11 NH2 ARG A 1 20.075 21.176 0.721 1.00 0.00 N ATOM 0 H1 ARG A 1 17.169 19.712 -7.342 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.487 19.494 -7.270 1.00 0.00 H new ATOM 0 H3 ARG A 1 16.156 21.032 -7.007 1.00 0.00 H new ATOM 0 HA ARG A 1 16.802 18.719 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 1 18.279 20.764 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 1 16.910 21.714 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 1 16.745 20.345 -2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 1 18.058 19.322 -3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 1 19.586 21.317 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 1 18.272 22.326 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 1 18.534 20.126 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 1 20.324 23.021 -1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 1 21.145 23.193 -0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 1 19.589 20.348 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 1 20.727 21.674 1.327 1.00 0.00 H new ATOM 25 N VAL A 2 14.098 20.568 -5.237 1.00 0.00 N ATOM 26 CA VAL A 2 12.750 20.681 -4.696 1.00 0.00 C ATOM 27 C VAL A 2 11.930 19.487 -5.198 1.00 0.00 C ATOM 28 O VAL A 2 11.070 19.622 -6.068 1.00 0.00 O ATOM 29 CB VAL A 2 12.146 22.050 -5.068 1.00 0.00 C ATOM 30 CG1 VAL A 2 10.790 22.265 -4.377 1.00 0.00 C ATOM 31 CG2 VAL A 2 13.076 23.196 -4.638 1.00 0.00 C ATOM 0 H VAL A 2 14.278 21.199 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 2 12.752 20.645 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 2 12.018 22.053 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.389 23.239 -4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.096 21.483 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.922 22.226 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.627 24.151 -4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.223 23.160 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.039 23.091 -5.139 1.00 0.00 H new ATOM 41 N GLY A 3 12.240 18.297 -4.678 1.00 0.00 N ATOM 42 CA GLY A 3 11.681 17.036 -5.137 1.00 0.00 C ATOM 43 C GLY A 3 12.265 16.677 -6.502 1.00 0.00 C ATOM 44 O GLY A 3 13.042 15.734 -6.625 1.00 0.00 O ATOM 0 H GLY A 3 12.902 18.188 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.901 16.247 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 3 10.596 17.112 -5.204 1.00 0.00 H new ATOM 48 N LEU A 4 11.902 17.448 -7.527 1.00 0.00 N ATOM 49 CA LEU A 4 12.480 17.331 -8.852 1.00 0.00 C ATOM 50 C LEU A 4 13.882 17.922 -8.853 1.00 0.00 C ATOM 51 O LEU A 4 14.119 19.001 -8.313 1.00 0.00 O ATOM 52 CB LEU A 4 11.592 18.043 -9.872 1.00 0.00 C ATOM 53 CG LEU A 4 10.209 17.388 -10.013 1.00 0.00 C ATOM 54 CD1 LEU A 4 9.416 18.228 -11.008 1.00 0.00 C ATOM 55 CD2 LEU A 4 10.282 15.948 -10.538 1.00 0.00 C ATOM 0 H LEU A 4 11.191 18.176 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 4 12.545 16.279 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.468 19.084 -9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.089 18.045 -10.842 1.00 0.00 H new ATOM 0 HG LEU A 4 9.743 17.346 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.423 17.797 -11.138 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.323 19.247 -10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.934 18.242 -11.967 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.275 15.538 -10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.754 15.942 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.869 15.339 -9.850 1.00 0.00 H new ATOM 67 N THR A 5 14.812 17.205 -9.477 1.00 0.00 N ATOM 68 CA THR A 5 16.171 17.656 -9.688 1.00 0.00 C ATOM 69 C THR A 5 16.164 18.781 -10.727 1.00 0.00 C ATOM 70 O THR A 5 15.339 18.769 -11.639 1.00 0.00 O ATOM 71 CB THR A 5 17.012 16.460 -10.158 1.00 0.00 C ATOM 72 OG1 THR A 5 16.691 15.297 -9.419 1.00 0.00 O ATOM 73 CG2 THR A 5 18.494 16.737 -9.939 1.00 0.00 C ATOM 0 H THR A 5 14.631 16.275 -9.856 1.00 0.00 H new ATOM 0 HA THR A 5 16.605 18.046 -8.768 1.00 0.00 H new ATOM 0 HB THR A 5 16.796 16.309 -11.216 1.00 0.00 H new ATOM 0 HG1 THR A 5 15.910 14.861 -9.819 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.078 15.881 -10.277 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.786 17.622 -10.505 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.680 16.907 -8.878 1.00 0.00 H new ATOM 81 N GLU A 6 17.094 19.736 -10.626 1.00 0.00 N ATOM 82 CA GLU A 6 17.228 20.831 -11.583 1.00 0.00 C ATOM 83 C GLU A 6 17.193 20.311 -13.024 1.00 0.00 C ATOM 84 O GLU A 6 16.480 20.856 -13.860 1.00 0.00 O ATOM 85 CB GLU A 6 18.510 21.632 -11.302 1.00 0.00 C ATOM 86 CG GLU A 6 18.344 22.622 -10.136 1.00 0.00 C ATOM 87 CD GLU A 6 17.918 21.964 -8.826 1.00 0.00 C ATOM 88 OE1 GLU A 6 18.491 20.896 -8.514 1.00 0.00 O ATOM 89 OE2 GLU A 6 17.004 22.520 -8.176 1.00 0.00 O ATOM 0 H GLU A 6 17.779 19.768 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 6 16.378 21.503 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.323 20.942 -11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.797 22.179 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 6 19.287 23.146 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.604 23.373 -10.412 1.00 0.00 H new ATOM 96 N GLU A 7 17.904 19.217 -13.305 1.00 0.00 N ATOM 97 CA GLU A 7 17.884 18.604 -14.626 1.00 0.00 C ATOM 98 C GLU A 7 16.456 18.241 -15.061 1.00 0.00 C ATOM 99 O GLU A 7 16.065 18.501 -16.197 1.00 0.00 O ATOM 100 CB GLU A 7 18.825 17.390 -14.675 1.00 0.00 C ATOM 101 CG GLU A 7 20.202 17.642 -14.035 1.00 0.00 C ATOM 102 CD GLU A 7 20.819 18.986 -14.424 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.967 19.222 -15.644 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.118 19.758 -13.488 1.00 0.00 O ATOM 0 H GLU A 7 18.501 18.739 -12.630 1.00 0.00 H new ATOM 0 HA GLU A 7 18.252 19.338 -15.343 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.347 16.552 -14.168 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.967 17.094 -15.715 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.103 17.597 -12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.881 16.841 -14.327 1.00 0.00 H new ATOM 111 N GLN A 8 15.657 17.678 -14.151 1.00 0.00 N ATOM 112 CA GLN A 8 14.267 17.363 -14.442 1.00 0.00 C ATOM 113 C GLN A 8 13.498 18.656 -14.717 1.00 0.00 C ATOM 114 O GLN A 8 12.751 18.724 -15.687 1.00 0.00 O ATOM 115 CB GLN A 8 13.626 16.562 -13.303 1.00 0.00 C ATOM 116 CG GLN A 8 14.329 15.220 -13.071 1.00 0.00 C ATOM 117 CD GLN A 8 13.783 14.541 -11.823 1.00 0.00 C ATOM 118 OE1 GLN A 8 14.330 14.708 -10.736 1.00 0.00 O ATOM 119 NE2 GLN A 8 12.686 13.801 -11.952 1.00 0.00 N ATOM 0 H GLN A 8 15.955 17.433 -13.207 1.00 0.00 H new ATOM 0 HA GLN A 8 14.227 16.734 -15.331 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.657 17.150 -12.386 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.575 16.385 -13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.185 14.573 -13.936 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.402 15.378 -12.966 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.256 13.682 -12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.274 13.352 -11.134 1.00 0.00 H new ATOM 128 N LYS A 9 13.689 19.691 -13.890 1.00 0.00 N ATOM 129 CA LYS A 9 13.048 20.983 -14.131 1.00 0.00 C ATOM 130 C LYS A 9 13.383 21.498 -15.537 1.00 0.00 C ATOM 131 O LYS A 9 12.493 21.899 -16.285 1.00 0.00 O ATOM 132 CB LYS A 9 13.454 22.022 -13.075 1.00 0.00 C ATOM 133 CG LYS A 9 13.173 21.583 -11.633 1.00 0.00 C ATOM 134 CD LYS A 9 13.595 22.700 -10.670 1.00 0.00 C ATOM 135 CE LYS A 9 13.562 22.210 -9.221 1.00 0.00 C ATOM 136 NZ LYS A 9 14.015 23.257 -8.289 1.00 0.00 N ATOM 0 H LYS A 9 14.277 19.657 -13.057 1.00 0.00 H new ATOM 0 HA LYS A 9 11.971 20.833 -14.056 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.518 22.235 -13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.922 22.953 -13.272 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.113 21.361 -11.508 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.719 20.667 -11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.599 23.042 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.929 23.556 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.548 21.904 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.197 21.330 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.501 23.167 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.035 23.151 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.829 24.193 -8.702 1.00 0.00 H new ATOM 150 N GLN A 10 14.668 21.471 -15.903 1.00 0.00 N ATOM 151 CA GLN A 10 15.148 21.876 -17.217 1.00 0.00 C ATOM 152 C GLN A 10 14.426 21.082 -18.310 1.00 0.00 C ATOM 153 O GLN A 10 13.854 21.675 -19.224 1.00 0.00 O ATOM 154 CB GLN A 10 16.669 21.678 -17.301 1.00 0.00 C ATOM 155 CG GLN A 10 17.446 22.611 -16.355 1.00 0.00 C ATOM 156 CD GLN A 10 18.768 21.999 -15.897 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.165 22.151 -14.746 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.447 21.267 -16.776 1.00 0.00 N ATOM 0 H GLN A 10 15.413 21.161 -15.279 1.00 0.00 H new ATOM 0 HA GLN A 10 14.932 22.933 -17.370 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.910 20.642 -17.061 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.997 21.852 -18.326 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.641 23.557 -16.860 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.831 22.836 -15.484 1.00 0.00 H new ATOM 0 HE21 GLN A 10 19.095 21.156 -17.727 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.319 20.817 -16.499 1.00 0.00 H new ATOM 167 N GLU A 11 14.433 19.748 -18.212 1.00 0.00 N ATOM 168 CA GLU A 11 13.725 18.880 -19.148 1.00 0.00 C ATOM 169 C GLU A 11 12.250 19.285 -19.263 1.00 0.00 C ATOM 170 O GLU A 11 11.720 19.418 -20.365 1.00 0.00 O ATOM 171 CB GLU A 11 13.858 17.414 -18.712 1.00 0.00 C ATOM 172 CG GLU A 11 15.284 16.879 -18.902 1.00 0.00 C ATOM 173 CD GLU A 11 15.457 15.523 -18.221 1.00 0.00 C ATOM 174 OE1 GLU A 11 14.974 14.532 -18.810 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.053 15.502 -17.122 1.00 0.00 O ATOM 0 H GLU A 11 14.932 19.243 -17.479 1.00 0.00 H new ATOM 0 HA GLU A 11 14.177 18.992 -20.134 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.574 17.321 -17.664 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.163 16.802 -19.286 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.502 16.786 -19.966 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.000 17.590 -18.491 1.00 0.00 H new ATOM 182 N ILE A 12 11.580 19.493 -18.129 1.00 0.00 N ATOM 183 CA ILE A 12 10.180 19.898 -18.099 1.00 0.00 C ATOM 184 C ILE A 12 10.001 21.253 -18.798 1.00 0.00 C ATOM 185 O ILE A 12 9.054 21.431 -19.558 1.00 0.00 O ATOM 186 CB ILE A 12 9.654 19.870 -16.650 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.595 18.411 -16.161 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.257 20.494 -16.552 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.431 18.301 -14.643 1.00 0.00 C ATOM 0 H ILE A 12 11.997 19.384 -17.204 1.00 0.00 H new ATOM 0 HA ILE A 12 9.572 19.188 -18.660 1.00 0.00 H new ATOM 0 HB ILE A 12 10.333 20.453 -16.027 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.764 17.902 -16.650 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.506 17.894 -16.462 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.915 20.459 -15.518 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.297 21.531 -16.886 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.564 19.937 -17.183 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.396 17.250 -14.356 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.275 18.783 -14.150 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.506 18.791 -14.341 1.00 0.00 H new ATOM 201 N ARG A 13 10.906 22.209 -18.573 1.00 0.00 N ATOM 202 CA ARG A 13 10.870 23.497 -19.259 1.00 0.00 C ATOM 203 C ARG A 13 11.051 23.297 -20.771 1.00 0.00 C ATOM 204 O ARG A 13 10.300 23.860 -21.563 1.00 0.00 O ATOM 205 CB ARG A 13 11.905 24.451 -18.641 1.00 0.00 C ATOM 206 CG ARG A 13 11.550 25.945 -18.732 1.00 0.00 C ATOM 207 CD ARG A 13 11.250 26.443 -20.150 1.00 0.00 C ATOM 208 NE ARG A 13 11.194 27.909 -20.212 1.00 0.00 N ATOM 209 CZ ARG A 13 10.136 28.663 -19.877 1.00 0.00 C ATOM 210 NH1 ARG A 13 9.061 28.115 -19.299 1.00 0.00 N ATOM 211 NH2 ARG A 13 10.165 29.976 -20.125 1.00 0.00 N ATOM 0 H ARG A 13 11.678 22.110 -17.914 1.00 0.00 H new ATOM 0 HA ARG A 13 9.895 23.965 -19.125 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.038 24.188 -17.592 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.864 24.290 -19.134 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.682 26.138 -18.102 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.376 26.527 -18.324 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.018 26.079 -20.833 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.300 26.028 -20.488 1.00 0.00 H new ATOM 0 HE ARG A 13 12.030 28.395 -20.537 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.040 27.113 -19.108 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.263 28.699 -19.049 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.985 30.394 -20.564 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.367 30.560 -19.875 1.00 0.00 H new ATOM 225 N GLU A 14 12.014 22.474 -21.192 1.00 0.00 N ATOM 226 CA GLU A 14 12.224 22.156 -22.594 1.00 0.00 C ATOM 227 C GLU A 14 10.937 21.594 -23.215 1.00 0.00 C ATOM 228 O GLU A 14 10.459 22.093 -24.236 1.00 0.00 O ATOM 229 CB GLU A 14 13.401 21.176 -22.701 1.00 0.00 C ATOM 230 CG GLU A 14 13.879 21.059 -24.147 1.00 0.00 C ATOM 231 CD GLU A 14 15.015 20.050 -24.269 1.00 0.00 C ATOM 232 OE1 GLU A 14 14.696 18.858 -24.471 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.179 20.484 -24.136 1.00 0.00 O ATOM 0 H GLU A 14 12.669 22.011 -20.562 1.00 0.00 H new ATOM 0 HA GLU A 14 12.472 23.056 -23.157 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.221 21.515 -22.068 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.099 20.196 -22.333 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.049 20.755 -24.784 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.214 22.033 -24.503 1.00 0.00 H new ATOM 240 N ALA A 15 10.368 20.566 -22.581 1.00 0.00 N ATOM 241 CA ALA A 15 9.113 19.964 -23.007 1.00 0.00 C ATOM 242 C ALA A 15 8.022 21.031 -23.110 1.00 0.00 C ATOM 243 O ALA A 15 7.359 21.139 -24.138 1.00 0.00 O ATOM 244 CB ALA A 15 8.714 18.846 -22.040 1.00 0.00 C ATOM 0 H ALA A 15 10.772 20.129 -21.753 1.00 0.00 H new ATOM 0 HA ALA A 15 9.242 19.524 -23.996 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.774 18.401 -22.366 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.491 18.082 -22.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.592 19.258 -21.038 1.00 0.00 H new ATOM 250 N PHE A 16 7.860 21.836 -22.054 1.00 0.00 N ATOM 251 CA PHE A 16 6.918 22.944 -22.031 1.00 0.00 C ATOM 252 C PHE A 16 7.091 23.817 -23.272 1.00 0.00 C ATOM 253 O PHE A 16 6.137 24.025 -24.013 1.00 0.00 O ATOM 254 CB PHE A 16 7.083 23.781 -20.754 1.00 0.00 C ATOM 255 CG PHE A 16 6.143 24.967 -20.675 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.802 24.764 -20.312 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.575 26.253 -21.058 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.899 25.839 -20.301 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.667 27.326 -21.067 1.00 0.00 C ATOM 260 CZ PHE A 16 4.334 27.122 -20.672 1.00 0.00 C ATOM 0 H PHE A 16 8.387 21.730 -21.187 1.00 0.00 H new ATOM 0 HA PHE A 16 5.909 22.532 -22.035 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.919 23.141 -19.887 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.111 24.139 -20.696 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.463 23.775 -20.040 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.604 26.414 -21.345 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.872 25.680 -20.008 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.994 28.307 -21.378 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.644 27.952 -20.654 1.00 0.00 H new ATOM 270 N ASP A 17 8.310 24.312 -23.501 1.00 0.00 N ATOM 271 CA ASP A 17 8.624 25.175 -24.629 1.00 0.00 C ATOM 272 C ASP A 17 8.209 24.515 -25.944 1.00 0.00 C ATOM 273 O ASP A 17 7.498 25.125 -26.739 1.00 0.00 O ATOM 274 CB ASP A 17 10.115 25.527 -24.621 1.00 0.00 C ATOM 275 CG ASP A 17 10.473 26.422 -25.804 1.00 0.00 C ATOM 276 OD1 ASP A 17 10.314 27.652 -25.652 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.899 25.856 -26.834 1.00 0.00 O ATOM 0 H ASP A 17 9.111 24.120 -22.899 1.00 0.00 H new ATOM 0 HA ASP A 17 8.058 26.102 -24.536 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.368 26.032 -23.689 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.708 24.613 -24.659 1.00 0.00 H new ATOM 282 N LEU A 18 8.634 23.268 -26.170 1.00 0.00 N ATOM 283 CA LEU A 18 8.279 22.552 -27.389 1.00 0.00 C ATOM 284 C LEU A 18 6.762 22.465 -27.549 1.00 0.00 C ATOM 285 O LEU A 18 6.226 22.798 -28.606 1.00 0.00 O ATOM 286 CB LEU A 18 8.934 21.165 -27.407 1.00 0.00 C ATOM 287 CG LEU A 18 8.598 20.396 -28.702 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.814 19.599 -29.172 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.428 19.421 -28.517 1.00 0.00 C ATOM 0 H LEU A 18 9.221 22.739 -25.525 1.00 0.00 H new ATOM 0 HA LEU A 18 8.662 23.110 -28.244 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.015 21.271 -27.316 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.596 20.591 -26.544 1.00 0.00 H new ATOM 0 HG LEU A 18 8.313 21.144 -29.442 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.565 19.061 -30.086 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.643 20.280 -29.366 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.103 18.887 -28.399 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.232 18.905 -29.457 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.681 18.691 -27.748 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.539 19.973 -28.214 1.00 0.00 H new ATOM 301 N PHE A 19 6.065 21.991 -26.514 1.00 0.00 N ATOM 302 CA PHE A 19 4.621 21.822 -26.564 1.00 0.00 C ATOM 303 C PHE A 19 3.907 23.165 -26.727 1.00 0.00 C ATOM 304 O PHE A 19 2.855 23.233 -27.357 1.00 0.00 O ATOM 305 CB PHE A 19 4.126 21.092 -25.311 1.00 0.00 C ATOM 306 CG PHE A 19 4.633 19.675 -25.099 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.742 18.774 -26.179 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.821 19.202 -23.786 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.090 17.433 -25.952 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.116 17.847 -23.556 1.00 0.00 C ATOM 311 CZ PHE A 19 5.277 16.966 -24.639 1.00 0.00 C ATOM 0 H PHE A 19 6.487 21.717 -25.627 1.00 0.00 H new ATOM 0 HA PHE A 19 4.383 21.215 -27.438 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.403 21.686 -24.440 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.037 21.062 -25.343 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.557 19.118 -27.186 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.738 19.883 -22.952 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.214 16.759 -26.787 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.219 17.482 -22.545 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.543 15.934 -24.463 1.00 0.00 H new ATOM 321 N ASP A 20 4.476 24.247 -26.200 1.00 0.00 N ATOM 322 CA ASP A 20 3.998 25.612 -26.383 1.00 0.00 C ATOM 323 C ASP A 20 4.382 26.108 -27.783 1.00 0.00 C ATOM 324 O ASP A 20 4.878 27.222 -27.946 1.00 0.00 O ATOM 325 CB ASP A 20 4.619 26.471 -25.269 1.00 0.00 C ATOM 326 CG ASP A 20 4.083 27.892 -25.240 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.858 28.044 -25.427 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.898 28.809 -25.004 1.00 0.00 O ATOM 0 H ASP A 20 5.310 24.194 -25.615 1.00 0.00 H new ATOM 0 HA ASP A 20 2.912 25.672 -26.314 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.429 25.998 -24.306 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.701 26.500 -25.402 1.00 0.00 H new ATOM 333 N THR A 21 4.130 25.281 -28.801 1.00 0.00 N ATOM 334 CA THR A 21 4.602 25.448 -30.163 1.00 0.00 C ATOM 335 C THR A 21 4.132 26.774 -30.764 1.00 0.00 C ATOM 336 O THR A 21 4.904 27.463 -31.425 1.00 0.00 O ATOM 337 CB THR A 21 4.134 24.232 -30.985 1.00 0.00 C ATOM 338 OG1 THR A 21 3.959 23.112 -30.138 1.00 0.00 O ATOM 339 CG2 THR A 21 5.142 23.835 -32.065 1.00 0.00 C ATOM 0 H THR A 21 3.564 24.440 -28.684 1.00 0.00 H new ATOM 0 HA THR A 21 5.691 25.492 -30.177 1.00 0.00 H new ATOM 0 HB THR A 21 3.198 24.524 -31.461 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.799 22.921 -29.670 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.765 22.973 -32.616 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.287 24.669 -32.751 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.093 23.579 -31.598 1.00 0.00 H new ATOM 347 N ASP A 22 2.860 27.115 -30.539 1.00 0.00 N ATOM 348 CA ASP A 22 2.242 28.346 -31.026 1.00 0.00 C ATOM 349 C ASP A 22 1.737 29.213 -29.871 1.00 0.00 C ATOM 350 O ASP A 22 1.640 30.429 -30.020 1.00 0.00 O ATOM 351 CB ASP A 22 1.075 27.992 -31.956 1.00 0.00 C ATOM 352 CG ASP A 22 1.543 27.237 -33.194 1.00 0.00 C ATOM 353 OD1 ASP A 22 1.583 25.989 -33.120 1.00 0.00 O ATOM 354 OD2 ASP A 22 1.852 27.920 -34.193 1.00 0.00 O ATOM 0 H ASP A 22 2.220 26.529 -30.002 1.00 0.00 H new ATOM 0 HA ASP A 22 2.995 28.917 -31.569 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.350 27.385 -31.414 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.563 28.905 -32.260 1.00 0.00 H new ATOM 359 N GLY A 23 1.446 28.609 -28.713 1.00 0.00 N ATOM 360 CA GLY A 23 0.868 29.291 -27.562 1.00 0.00 C ATOM 361 C GLY A 23 1.716 30.468 -27.078 1.00 0.00 C ATOM 362 O GLY A 23 1.181 31.441 -26.552 1.00 0.00 O ATOM 0 H GLY A 23 1.611 27.615 -28.552 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -0.128 29.650 -27.822 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.747 28.578 -26.747 1.00 0.00 H new ATOM 366 N SER A 24 3.036 30.395 -27.282 1.00 0.00 N ATOM 367 CA SER A 24 3.975 31.487 -27.089 1.00 0.00 C ATOM 368 C SER A 24 3.808 32.170 -25.732 1.00 0.00 C ATOM 369 O SER A 24 3.620 33.382 -25.648 1.00 0.00 O ATOM 370 CB SER A 24 3.798 32.477 -28.233 1.00 0.00 C ATOM 371 OG SER A 24 3.999 31.840 -29.480 1.00 0.00 O ATOM 0 H SER A 24 3.489 29.537 -27.598 1.00 0.00 H new ATOM 0 HA SER A 24 4.988 31.086 -27.094 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.798 32.908 -28.196 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.504 33.300 -28.121 1.00 0.00 H new ATOM 0 HG SER A 24 3.187 31.353 -29.733 1.00 0.00 H new ATOM 377 N GLY A 25 3.895 31.374 -24.671 1.00 0.00 N ATOM 378 CA GLY A 25 3.714 31.805 -23.298 1.00 0.00 C ATOM 379 C GLY A 25 3.045 30.700 -22.491 1.00 0.00 C ATOM 380 O GLY A 25 3.533 30.335 -21.422 1.00 0.00 O ATOM 0 H GLY A 25 4.101 30.378 -24.751 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.678 32.056 -22.857 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.105 32.708 -23.269 1.00 0.00 H new ATOM 384 N THR A 26 1.921 30.179 -22.991 1.00 0.00 N ATOM 385 CA THR A 26 1.081 29.237 -22.265 1.00 0.00 C ATOM 386 C THR A 26 0.533 28.178 -23.228 1.00 0.00 C ATOM 387 O THR A 26 0.102 28.499 -24.333 1.00 0.00 O ATOM 388 CB THR A 26 -0.024 29.987 -21.506 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.853 30.700 -22.398 1.00 0.00 O ATOM 390 CG2 THR A 26 0.516 31.002 -20.495 1.00 0.00 C ATOM 0 H THR A 26 1.570 30.405 -23.921 1.00 0.00 H new ATOM 0 HA THR A 26 1.673 28.711 -21.516 1.00 0.00 H new ATOM 0 HB THR A 26 -0.576 29.212 -20.975 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.767 30.727 -22.045 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.317 31.496 -19.995 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.130 30.488 -19.756 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.120 31.746 -21.014 1.00 0.00 H new ATOM 398 N ILE A 27 0.571 26.904 -22.823 1.00 0.00 N ATOM 399 CA ILE A 27 0.162 25.782 -23.660 1.00 0.00 C ATOM 400 C ILE A 27 -1.363 25.778 -23.740 1.00 0.00 C ATOM 401 O ILE A 27 -2.020 25.511 -22.738 1.00 0.00 O ATOM 402 CB ILE A 27 0.699 24.468 -23.068 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.228 24.461 -23.171 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.141 23.230 -23.787 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.840 23.234 -22.504 1.00 0.00 C ATOM 0 H ILE A 27 0.890 26.625 -21.895 1.00 0.00 H new ATOM 0 HA ILE A 27 0.571 25.879 -24.666 1.00 0.00 H new ATOM 0 HB ILE A 27 0.376 24.418 -22.028 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.521 24.487 -24.221 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.627 25.363 -22.707 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.551 22.329 -23.331 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.946 23.218 -23.701 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.421 23.264 -24.840 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.925 23.270 -22.601 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.570 23.221 -21.448 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.463 22.332 -22.986 1.00 0.00 H new ATOM 417 N ASP A 28 -1.941 26.050 -24.911 1.00 0.00 N ATOM 418 CA ASP A 28 -3.380 25.921 -25.106 1.00 0.00 C ATOM 419 C ASP A 28 -3.811 24.469 -24.874 1.00 0.00 C ATOM 420 O ASP A 28 -3.071 23.550 -25.219 1.00 0.00 O ATOM 421 CB ASP A 28 -3.758 26.396 -26.514 1.00 0.00 C ATOM 422 CG ASP A 28 -5.271 26.382 -26.712 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.786 25.299 -27.064 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.886 27.447 -26.491 1.00 0.00 O ATOM 0 H ASP A 28 -1.431 26.361 -25.738 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.904 26.547 -24.384 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.377 27.404 -26.675 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.285 25.754 -27.257 1.00 0.00 H new ATOM 429 N ALA A 29 -5.015 24.254 -24.335 1.00 0.00 N ATOM 430 CA ALA A 29 -5.622 22.929 -24.203 1.00 0.00 C ATOM 431 C ALA A 29 -5.340 22.021 -25.412 1.00 0.00 C ATOM 432 O ALA A 29 -4.917 20.876 -25.251 1.00 0.00 O ATOM 433 CB ALA A 29 -7.130 23.098 -23.991 1.00 0.00 C ATOM 0 H ALA A 29 -5.602 25.006 -23.974 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.172 22.433 -23.343 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.596 22.117 -23.891 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.307 23.678 -23.085 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.561 23.619 -24.846 1.00 0.00 H new ATOM 439 N LYS A 30 -5.537 22.541 -26.628 1.00 0.00 N ATOM 440 CA LYS A 30 -5.265 21.822 -27.867 1.00 0.00 C ATOM 441 C LYS A 30 -3.797 21.387 -27.950 1.00 0.00 C ATOM 442 O LYS A 30 -3.503 20.248 -28.306 1.00 0.00 O ATOM 443 CB LYS A 30 -5.631 22.700 -29.070 1.00 0.00 C ATOM 444 CG LYS A 30 -7.129 23.036 -29.106 1.00 0.00 C ATOM 445 CD LYS A 30 -7.419 23.995 -30.265 1.00 0.00 C ATOM 446 CE LYS A 30 -8.908 24.356 -30.301 1.00 0.00 C ATOM 447 NZ LYS A 30 -9.207 25.291 -31.401 1.00 0.00 N ATOM 0 H LYS A 30 -5.894 23.485 -26.776 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.878 20.921 -27.880 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.054 23.624 -29.033 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.353 22.187 -29.991 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.713 22.123 -29.223 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.432 23.490 -28.162 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.822 24.900 -30.155 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.127 23.534 -31.209 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.501 23.449 -30.420 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.199 24.804 -29.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.222 25.516 -31.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.658 26.165 -31.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.952 24.852 -32.309 1.00 0.00 H new ATOM 461 N GLU A 31 -2.867 22.287 -27.621 1.00 0.00 N ATOM 462 CA GLU A 31 -1.446 21.972 -27.610 1.00 0.00 C ATOM 463 C GLU A 31 -1.156 20.891 -26.563 1.00 0.00 C ATOM 464 O GLU A 31 -0.347 20.001 -26.810 1.00 0.00 O ATOM 465 CB GLU A 31 -0.612 23.233 -27.350 1.00 0.00 C ATOM 466 CG GLU A 31 -0.651 24.230 -28.514 1.00 0.00 C ATOM 467 CD GLU A 31 0.094 25.514 -28.158 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.379 26.198 -27.225 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.113 25.803 -28.823 1.00 0.00 O ATOM 0 H GLU A 31 -3.082 23.249 -27.357 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.164 21.586 -28.590 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.977 23.723 -26.447 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.422 22.945 -27.161 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.203 23.779 -29.399 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.686 24.463 -28.764 1.00 0.00 H new ATOM 476 N LEU A 32 -1.812 20.942 -25.398 1.00 0.00 N ATOM 477 CA LEU A 32 -1.628 19.890 -24.404 1.00 0.00 C ATOM 478 C LEU A 32 -2.168 18.553 -24.930 1.00 0.00 C ATOM 479 O LEU A 32 -1.549 17.511 -24.731 1.00 0.00 O ATOM 480 CB LEU A 32 -2.242 20.263 -23.047 1.00 0.00 C ATOM 481 CG LEU A 32 -1.548 19.500 -21.899 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.203 20.128 -21.501 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.467 19.455 -20.676 1.00 0.00 C ATOM 0 H LEU A 32 -2.459 21.683 -25.128 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.557 19.777 -24.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.148 21.337 -22.884 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.307 20.033 -23.050 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.346 18.492 -22.262 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.242 19.552 -20.690 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.469 20.124 -22.359 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.364 21.154 -21.171 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.972 18.915 -19.869 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.689 20.471 -20.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.395 18.946 -20.937 1.00 0.00 H new ATOM 495 N LYS A 33 -3.312 18.564 -25.620 1.00 0.00 N ATOM 496 CA LYS A 33 -3.819 17.379 -26.303 1.00 0.00 C ATOM 497 C LYS A 33 -2.788 16.854 -27.306 1.00 0.00 C ATOM 498 O LYS A 33 -2.474 15.665 -27.281 1.00 0.00 O ATOM 499 CB LYS A 33 -5.205 17.678 -26.890 1.00 0.00 C ATOM 500 CG LYS A 33 -5.881 16.490 -27.595 1.00 0.00 C ATOM 501 CD LYS A 33 -5.415 16.183 -29.031 1.00 0.00 C ATOM 502 CE LYS A 33 -5.427 17.398 -29.970 1.00 0.00 C ATOM 503 NZ LYS A 33 -6.740 18.064 -30.002 1.00 0.00 N ATOM 0 H LYS A 33 -3.905 19.388 -25.718 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.964 16.559 -25.600 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.856 18.024 -26.087 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.113 18.499 -27.601 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.723 15.599 -26.988 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.955 16.674 -27.618 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.404 15.777 -28.994 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.055 15.407 -29.451 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.668 18.111 -29.648 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.159 17.079 -30.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.726 18.825 -30.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.475 17.371 -30.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.948 18.467 -29.066 1.00 0.00 H new ATOM 517 N VAL A 34 -2.229 17.717 -28.161 1.00 0.00 N ATOM 518 CA VAL A 34 -1.140 17.339 -29.064 1.00 0.00 C ATOM 519 C VAL A 34 0.007 16.695 -28.277 1.00 0.00 C ATOM 520 O VAL A 34 0.476 15.615 -28.636 1.00 0.00 O ATOM 521 CB VAL A 34 -0.675 18.555 -29.889 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.666 18.317 -30.604 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.741 18.910 -30.934 1.00 0.00 C ATOM 0 H VAL A 34 -2.518 18.692 -28.245 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.504 16.594 -29.771 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.531 19.375 -29.186 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.941 19.208 -31.168 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.439 18.102 -29.866 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.570 17.472 -31.285 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.409 19.770 -31.515 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.896 18.060 -31.599 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.677 19.152 -30.431 1.00 0.00 H new ATOM 533 N ALA A 35 0.452 17.347 -27.200 1.00 0.00 N ATOM 534 CA ALA A 35 1.516 16.849 -26.342 1.00 0.00 C ATOM 535 C ALA A 35 1.206 15.431 -25.870 1.00 0.00 C ATOM 536 O ALA A 35 1.998 14.517 -26.081 1.00 0.00 O ATOM 537 CB ALA A 35 1.718 17.793 -25.153 1.00 0.00 C ATOM 0 H ALA A 35 0.075 18.246 -26.900 1.00 0.00 H new ATOM 0 HA ALA A 35 2.443 16.815 -26.915 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.517 17.411 -24.517 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.987 18.785 -25.517 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.794 17.856 -24.577 1.00 0.00 H new ATOM 543 N MET A 36 0.042 15.235 -25.252 1.00 0.00 N ATOM 544 CA MET A 36 -0.410 13.931 -24.794 1.00 0.00 C ATOM 545 C MET A 36 -0.449 12.925 -25.946 1.00 0.00 C ATOM 546 O MET A 36 -0.024 11.780 -25.781 1.00 0.00 O ATOM 547 CB MET A 36 -1.744 14.084 -24.060 1.00 0.00 C ATOM 548 CG MET A 36 -1.466 14.626 -22.651 1.00 0.00 C ATOM 549 SD MET A 36 -2.911 14.871 -21.595 1.00 0.00 S ATOM 550 CE MET A 36 -3.681 16.246 -22.462 1.00 0.00 C ATOM 0 H MET A 36 -0.617 15.988 -25.055 1.00 0.00 H new ATOM 0 HA MET A 36 0.302 13.519 -24.079 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.400 14.763 -24.604 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.257 13.124 -24.002 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.785 13.940 -22.147 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.945 15.579 -22.746 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.597 16.535 -21.946 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.995 17.092 -22.484 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.919 15.945 -23.482 1.00 0.00 H new ATOM 560 N ARG A 37 -0.917 13.345 -27.123 1.00 0.00 N ATOM 561 CA ARG A 37 -0.892 12.501 -28.307 1.00 0.00 C ATOM 562 C ARG A 37 0.541 12.025 -28.565 1.00 0.00 C ATOM 563 O ARG A 37 0.781 10.822 -28.653 1.00 0.00 O ATOM 564 CB ARG A 37 -1.499 13.227 -29.523 1.00 0.00 C ATOM 565 CG ARG A 37 -2.326 12.285 -30.410 1.00 0.00 C ATOM 566 CD ARG A 37 -1.501 11.259 -31.206 1.00 0.00 C ATOM 567 NE ARG A 37 -2.187 9.961 -31.241 1.00 0.00 N ATOM 568 CZ ARG A 37 -2.239 9.098 -30.215 1.00 0.00 C ATOM 569 NH1 ARG A 37 -1.436 9.231 -29.156 1.00 0.00 N ATOM 570 NH2 ARG A 37 -3.121 8.095 -30.238 1.00 0.00 N ATOM 0 H ARG A 37 -1.319 14.270 -27.276 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.514 11.622 -28.137 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.131 14.045 -29.177 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.699 13.671 -30.115 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.038 11.749 -29.782 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.907 12.885 -31.110 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.343 11.621 -32.222 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.517 11.144 -30.752 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.657 9.697 -32.107 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.767 10.000 -29.117 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.492 8.564 -28.387 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.751 7.988 -31.033 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.165 7.436 -29.460 1.00 0.00 H new ATOM 584 N ALA A 38 1.492 12.958 -28.654 1.00 0.00 N ATOM 585 CA ALA A 38 2.902 12.654 -28.874 1.00 0.00 C ATOM 586 C ALA A 38 3.457 11.741 -27.774 1.00 0.00 C ATOM 587 O ALA A 38 4.209 10.813 -28.056 1.00 0.00 O ATOM 588 CB ALA A 38 3.707 13.952 -28.977 1.00 0.00 C ATOM 0 H ALA A 38 1.299 13.956 -28.574 1.00 0.00 H new ATOM 0 HA ALA A 38 2.994 12.112 -29.815 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.758 13.716 -29.141 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.334 14.546 -29.811 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.603 14.519 -28.052 1.00 0.00 H new ATOM 594 N LEU A 39 3.062 11.984 -26.520 1.00 0.00 N ATOM 595 CA LEU A 39 3.420 11.156 -25.373 1.00 0.00 C ATOM 596 C LEU A 39 2.763 9.767 -25.428 1.00 0.00 C ATOM 597 O LEU A 39 3.024 8.942 -24.554 1.00 0.00 O ATOM 598 CB LEU A 39 3.037 11.878 -24.068 1.00 0.00 C ATOM 599 CG LEU A 39 3.827 13.170 -23.787 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.073 14.044 -22.770 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.221 12.845 -23.238 1.00 0.00 C ATOM 0 H LEU A 39 2.473 12.779 -26.273 1.00 0.00 H new ATOM 0 HA LEU A 39 4.498 11.000 -25.403 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.974 12.119 -24.101 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.182 11.192 -23.234 1.00 0.00 H new ATOM 0 HG LEU A 39 3.932 13.712 -24.727 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.642 14.954 -22.580 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.093 14.305 -23.170 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.949 13.493 -21.838 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.762 13.772 -23.047 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.124 12.283 -22.309 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.769 12.249 -23.967 1.00 0.00 H new ATOM 613 N GLY A 40 1.912 9.483 -26.419 1.00 0.00 N ATOM 614 CA GLY A 40 1.318 8.169 -26.602 1.00 0.00 C ATOM 615 C GLY A 40 0.110 7.947 -25.694 1.00 0.00 C ATOM 616 O GLY A 40 -0.244 6.805 -25.409 1.00 0.00 O ATOM 0 H GLY A 40 1.619 10.167 -27.117 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.014 8.052 -27.642 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.067 7.403 -26.400 1.00 0.00 H new ATOM 620 N PHE A 41 -0.548 9.024 -25.258 1.00 0.00 N ATOM 621 CA PHE A 41 -1.831 8.920 -24.575 1.00 0.00 C ATOM 622 C PHE A 41 -2.892 8.586 -25.627 1.00 0.00 C ATOM 623 O PHE A 41 -2.626 8.632 -26.826 1.00 0.00 O ATOM 624 CB PHE A 41 -2.199 10.255 -23.901 1.00 0.00 C ATOM 625 CG PHE A 41 -1.461 10.639 -22.624 1.00 0.00 C ATOM 626 CD1 PHE A 41 -0.056 10.565 -22.532 1.00 0.00 C ATOM 627 CD2 PHE A 41 -2.192 11.173 -21.542 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.603 10.984 -21.363 1.00 0.00 C ATOM 629 CE2 PHE A 41 -1.531 11.598 -20.375 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.132 11.502 -20.285 1.00 0.00 C ATOM 0 H PHE A 41 -0.208 9.979 -25.368 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.776 8.149 -23.806 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.043 11.051 -24.629 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.265 10.233 -23.677 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.517 10.184 -23.364 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.267 11.256 -21.610 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.678 10.907 -21.294 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.099 11.998 -19.548 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.376 11.826 -19.389 1.00 0.00 H new ATOM 640 N GLU A 42 -4.116 8.304 -25.178 1.00 0.00 N ATOM 641 CA GLU A 42 -5.288 8.186 -26.030 1.00 0.00 C ATOM 642 C GLU A 42 -6.254 9.280 -25.566 1.00 0.00 C ATOM 643 O GLU A 42 -6.851 9.110 -24.505 1.00 0.00 O ATOM 644 CB GLU A 42 -5.893 6.782 -25.886 1.00 0.00 C ATOM 645 CG GLU A 42 -4.947 5.699 -26.432 1.00 0.00 C ATOM 646 CD GLU A 42 -4.659 5.885 -27.920 1.00 0.00 C ATOM 647 OE1 GLU A 42 -5.635 5.820 -28.697 1.00 0.00 O ATOM 648 OE2 GLU A 42 -3.478 6.112 -28.258 1.00 0.00 O ATOM 0 H GLU A 42 -4.319 8.149 -24.190 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.053 8.314 -27.087 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.107 6.583 -24.836 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.843 6.738 -26.419 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.010 5.723 -25.876 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.389 4.716 -26.269 1.00 0.00 H new ATOM 655 N PRO A 43 -6.354 10.419 -26.279 1.00 0.00 N ATOM 656 CA PRO A 43 -7.177 11.563 -25.901 1.00 0.00 C ATOM 657 C PRO A 43 -8.670 11.289 -25.655 1.00 0.00 C ATOM 658 O PRO A 43 -9.526 11.714 -26.430 1.00 0.00 O ATOM 659 CB PRO A 43 -6.957 12.606 -27.003 1.00 0.00 C ATOM 660 CG PRO A 43 -5.513 12.348 -27.418 1.00 0.00 C ATOM 661 CD PRO A 43 -5.428 10.821 -27.333 1.00 0.00 C ATOM 0 HA PRO A 43 -6.860 11.903 -24.915 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.649 12.470 -27.834 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.098 13.622 -26.634 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.306 12.713 -28.424 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.803 12.834 -26.749 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.698 10.363 -28.284 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.412 10.500 -27.102 1.00 0.00 H new ATOM 669 N LYS A 44 -9.000 10.646 -24.533 1.00 0.00 N ATOM 670 CA LYS A 44 -10.367 10.514 -24.061 1.00 0.00 C ATOM 671 C LYS A 44 -10.844 11.898 -23.622 1.00 0.00 C ATOM 672 O LYS A 44 -10.648 12.281 -22.468 1.00 0.00 O ATOM 673 CB LYS A 44 -10.448 9.513 -22.900 1.00 0.00 C ATOM 674 CG LYS A 44 -10.180 8.079 -23.370 1.00 0.00 C ATOM 675 CD LYS A 44 -10.282 7.069 -22.216 1.00 0.00 C ATOM 676 CE LYS A 44 -11.644 7.055 -21.505 1.00 0.00 C ATOM 677 NZ LYS A 44 -12.764 6.872 -22.445 1.00 0.00 N ATOM 0 H LYS A 44 -8.313 10.200 -23.925 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.006 10.132 -24.857 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.724 9.786 -22.133 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.435 9.567 -22.441 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.894 7.813 -24.149 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.187 8.023 -23.815 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.078 6.071 -22.603 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.506 7.292 -21.484 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.658 6.253 -20.767 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.778 7.991 -20.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.437 6.183 -22.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.246 7.782 -22.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.400 6.522 -23.354 1.00 0.00 H new ATOM 691 N LYS A 45 -11.444 12.634 -24.561 1.00 0.00 N ATOM 692 CA LYS A 45 -11.945 14.000 -24.430 1.00 0.00 C ATOM 693 C LYS A 45 -12.444 14.327 -23.019 1.00 0.00 C ATOM 694 O LYS A 45 -12.061 15.345 -22.452 1.00 0.00 O ATOM 695 CB LYS A 45 -13.055 14.255 -25.465 1.00 0.00 C ATOM 696 CG LYS A 45 -12.725 13.791 -26.893 1.00 0.00 C ATOM 697 CD LYS A 45 -11.412 14.389 -27.422 1.00 0.00 C ATOM 698 CE LYS A 45 -11.087 13.886 -28.833 1.00 0.00 C ATOM 699 NZ LYS A 45 -10.869 12.428 -28.855 1.00 0.00 N ATOM 0 H LYS A 45 -11.602 12.263 -25.498 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.103 14.665 -24.620 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.963 13.750 -25.135 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.274 15.323 -25.487 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.657 12.703 -26.911 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.541 14.070 -27.559 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.485 15.476 -27.431 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.596 14.130 -26.747 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.904 14.142 -29.508 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.196 14.393 -29.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.277 12.178 -29.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.391 12.135 -27.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.785 11.941 -28.928 1.00 0.00 H new ATOM 713 N GLU A 46 -13.283 13.459 -22.450 1.00 0.00 N ATOM 714 CA GLU A 46 -13.816 13.611 -21.102 1.00 0.00 C ATOM 715 C GLU A 46 -12.681 13.807 -20.087 1.00 0.00 C ATOM 716 O GLU A 46 -12.625 14.804 -19.366 1.00 0.00 O ATOM 717 CB GLU A 46 -14.690 12.401 -20.698 1.00 0.00 C ATOM 718 CG GLU A 46 -15.466 11.721 -21.840 1.00 0.00 C ATOM 719 CD GLU A 46 -14.619 10.672 -22.563 1.00 0.00 C ATOM 720 OE1 GLU A 46 -14.524 9.545 -22.034 1.00 0.00 O ATOM 721 OE2 GLU A 46 -14.049 11.035 -23.616 1.00 0.00 O ATOM 0 H GLU A 46 -13.614 12.619 -22.924 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.448 14.499 -21.099 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.049 11.656 -20.226 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.405 12.730 -19.944 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.363 11.249 -21.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.796 12.476 -22.554 1.00 0.00 H new ATOM 728 N GLU A 47 -11.779 12.825 -20.030 1.00 0.00 N ATOM 729 CA GLU A 47 -10.688 12.785 -19.072 1.00 0.00 C ATOM 730 C GLU A 47 -9.704 13.913 -19.366 1.00 0.00 C ATOM 731 O GLU A 47 -9.247 14.590 -18.448 1.00 0.00 O ATOM 732 CB GLU A 47 -9.998 11.416 -19.119 1.00 0.00 C ATOM 733 CG GLU A 47 -10.974 10.281 -18.769 1.00 0.00 C ATOM 734 CD GLU A 47 -10.294 8.915 -18.702 1.00 0.00 C ATOM 735 OE1 GLU A 47 -9.158 8.809 -19.213 1.00 0.00 O ATOM 736 OE2 GLU A 47 -10.934 7.992 -18.152 1.00 0.00 O ATOM 0 H GLU A 47 -11.792 12.025 -20.662 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.080 12.928 -18.065 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.586 11.249 -20.114 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.161 11.405 -18.421 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.444 10.495 -17.809 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.770 10.250 -19.513 1.00 0.00 H new ATOM 743 N ILE A 48 -9.397 14.122 -20.649 1.00 0.00 N ATOM 744 CA ILE A 48 -8.559 15.222 -21.108 1.00 0.00 C ATOM 745 C ILE A 48 -9.094 16.545 -20.550 1.00 0.00 C ATOM 746 O ILE A 48 -8.364 17.268 -19.875 1.00 0.00 O ATOM 747 CB ILE A 48 -8.498 15.201 -22.648 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.749 13.962 -23.173 1.00 0.00 C ATOM 749 CG2 ILE A 48 -7.898 16.482 -23.239 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.225 14.067 -23.050 1.00 0.00 C ATOM 0 H ILE A 48 -9.730 13.522 -21.404 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.539 15.113 -20.739 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.533 15.146 -22.985 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.089 13.083 -22.625 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.011 13.806 -24.220 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.881 16.408 -24.326 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.504 17.338 -22.943 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.881 16.612 -22.869 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.765 13.159 -23.439 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.872 14.926 -23.621 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.952 14.191 -22.002 1.00 0.00 H new ATOM 762 N LYS A 49 -10.366 16.856 -20.812 1.00 0.00 N ATOM 763 CA LYS A 49 -10.997 18.077 -20.356 1.00 0.00 C ATOM 764 C LYS A 49 -10.925 18.186 -18.834 1.00 0.00 C ATOM 765 O LYS A 49 -10.505 19.221 -18.318 1.00 0.00 O ATOM 766 CB LYS A 49 -12.444 18.125 -20.865 1.00 0.00 C ATOM 767 CG LYS A 49 -13.042 19.511 -20.613 1.00 0.00 C ATOM 768 CD LYS A 49 -14.507 19.568 -21.061 1.00 0.00 C ATOM 769 CE LYS A 49 -15.078 20.985 -20.923 1.00 0.00 C ATOM 770 NZ LYS A 49 -15.040 21.468 -19.530 1.00 0.00 N ATOM 0 H LYS A 49 -10.986 16.254 -21.354 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.463 18.936 -20.762 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -12.471 17.896 -21.930 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.041 17.365 -20.361 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.973 19.753 -19.553 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.464 20.263 -21.150 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.585 19.242 -22.098 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.099 18.875 -20.463 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.511 21.667 -21.558 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -16.107 20.997 -21.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.541 22.377 -19.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.500 20.773 -18.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.051 21.596 -19.234 1.00 0.00 H new ATOM 784 N LYS A 50 -11.346 17.141 -18.113 1.00 0.00 N ATOM 785 CA LYS A 50 -11.311 17.141 -16.655 1.00 0.00 C ATOM 786 C LYS A 50 -9.904 17.477 -16.154 1.00 0.00 C ATOM 787 O LYS A 50 -9.719 18.453 -15.428 1.00 0.00 O ATOM 788 CB LYS A 50 -11.794 15.788 -16.116 1.00 0.00 C ATOM 789 CG LYS A 50 -13.307 15.623 -16.313 1.00 0.00 C ATOM 790 CD LYS A 50 -13.726 14.180 -16.008 1.00 0.00 C ATOM 791 CE LYS A 50 -15.229 14.002 -16.241 1.00 0.00 C ATOM 792 NZ LYS A 50 -15.656 12.621 -15.954 1.00 0.00 N ATOM 0 H LYS A 50 -11.716 16.283 -18.522 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.986 17.911 -16.282 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.268 14.981 -16.626 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.551 15.707 -15.056 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.843 16.311 -15.660 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.578 15.879 -17.337 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.169 13.491 -16.642 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.480 13.933 -14.975 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.782 14.695 -15.607 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.471 14.252 -17.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.679 12.532 -16.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.145 11.963 -16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.446 12.392 -14.961 1.00 0.00 H new ATOM 806 N MET A 51 -8.907 16.691 -16.570 1.00 0.00 N ATOM 807 CA MET A 51 -7.526 16.869 -16.170 1.00 0.00 C ATOM 808 C MET A 51 -7.055 18.293 -16.482 1.00 0.00 C ATOM 809 O MET A 51 -6.599 19.002 -15.585 1.00 0.00 O ATOM 810 CB MET A 51 -6.691 15.777 -16.851 1.00 0.00 C ATOM 811 CG MET A 51 -5.263 15.707 -16.306 1.00 0.00 C ATOM 812 SD MET A 51 -4.083 16.937 -16.920 1.00 0.00 S ATOM 813 CE MET A 51 -3.922 16.413 -18.638 1.00 0.00 C ATOM 0 H MET A 51 -9.048 15.904 -17.203 1.00 0.00 H new ATOM 0 HA MET A 51 -7.408 16.758 -15.092 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.178 14.812 -16.711 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.658 15.965 -17.924 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.311 15.796 -15.221 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.865 14.717 -16.527 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.068 16.914 -19.093 1.00 0.00 H new ATOM 0 HE2 MET A 51 -3.773 15.334 -18.677 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.828 16.674 -19.184 1.00 0.00 H new ATOM 823 N ILE A 52 -7.211 18.735 -17.734 1.00 0.00 N ATOM 824 CA ILE A 52 -6.871 20.094 -18.141 1.00 0.00 C ATOM 825 C ILE A 52 -7.509 21.105 -17.187 1.00 0.00 C ATOM 826 O ILE A 52 -6.818 21.988 -16.690 1.00 0.00 O ATOM 827 CB ILE A 52 -7.265 20.326 -19.617 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.245 19.589 -20.505 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.304 21.815 -19.995 1.00 0.00 C ATOM 830 CD1 ILE A 52 -6.615 19.596 -21.990 1.00 0.00 C ATOM 0 H ILE A 52 -7.577 18.157 -18.491 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.792 20.238 -18.078 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.274 19.941 -19.767 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.265 20.050 -20.380 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.157 18.557 -20.165 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.586 21.917 -21.043 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.034 22.330 -19.371 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.319 22.256 -19.840 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.854 19.060 -22.557 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.580 19.108 -22.127 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.675 20.625 -22.345 1.00 0.00 H new ATOM 842 N SER A 53 -8.807 20.975 -16.913 1.00 0.00 N ATOM 843 CA SER A 53 -9.506 21.894 -16.025 1.00 0.00 C ATOM 844 C SER A 53 -8.884 21.891 -14.626 1.00 0.00 C ATOM 845 O SER A 53 -8.622 22.950 -14.067 1.00 0.00 O ATOM 846 CB SER A 53 -11.000 21.559 -15.979 1.00 0.00 C ATOM 847 OG SER A 53 -11.543 21.559 -17.286 1.00 0.00 O ATOM 0 H SER A 53 -9.396 20.236 -17.298 1.00 0.00 H new ATOM 0 HA SER A 53 -9.400 22.904 -16.421 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.147 20.583 -15.517 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.524 22.287 -15.360 1.00 0.00 H new ATOM 0 HG SER A 53 -11.239 20.761 -17.766 1.00 0.00 H new ATOM 853 N GLU A 54 -8.633 20.704 -14.066 1.00 0.00 N ATOM 854 CA GLU A 54 -8.004 20.570 -12.757 1.00 0.00 C ATOM 855 C GLU A 54 -6.641 21.271 -12.725 1.00 0.00 C ATOM 856 O GLU A 54 -6.329 21.969 -11.763 1.00 0.00 O ATOM 857 CB GLU A 54 -7.876 19.087 -12.387 1.00 0.00 C ATOM 858 CG GLU A 54 -9.247 18.449 -12.124 1.00 0.00 C ATOM 859 CD GLU A 54 -9.129 16.936 -11.982 1.00 0.00 C ATOM 860 OE1 GLU A 54 -8.683 16.504 -10.897 1.00 0.00 O ATOM 861 OE2 GLU A 54 -9.479 16.241 -12.960 1.00 0.00 O ATOM 0 H GLU A 54 -8.861 19.814 -14.509 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.636 21.058 -12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.374 18.552 -13.193 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.251 18.986 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.680 18.870 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.926 18.689 -12.942 1.00 0.00 H new ATOM 868 N ILE A 55 -5.822 21.082 -13.762 1.00 0.00 N ATOM 869 CA ILE A 55 -4.505 21.712 -13.839 1.00 0.00 C ATOM 870 C ILE A 55 -4.634 23.221 -14.091 1.00 0.00 C ATOM 871 O ILE A 55 -3.814 24.004 -13.609 1.00 0.00 O ATOM 872 CB ILE A 55 -3.652 21.009 -14.911 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.425 19.518 -14.596 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.299 21.705 -15.115 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.819 19.218 -13.221 1.00 0.00 C ATOM 0 H ILE A 55 -6.051 20.494 -14.563 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.995 21.599 -12.882 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.224 21.079 -15.836 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.380 18.999 -14.673 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.771 19.099 -15.361 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.730 21.176 -15.880 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.464 22.735 -15.432 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.742 21.699 -14.178 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.702 18.141 -13.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.845 19.700 -13.140 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.479 19.599 -12.442 1.00 0.00 H new ATOM 887 N ASP A 56 -5.647 23.642 -14.852 1.00 0.00 N ATOM 888 CA ASP A 56 -5.882 25.035 -15.196 1.00 0.00 C ATOM 889 C ASP A 56 -6.426 25.806 -13.989 1.00 0.00 C ATOM 890 O ASP A 56 -7.592 26.193 -13.956 1.00 0.00 O ATOM 891 CB ASP A 56 -6.833 25.112 -16.398 1.00 0.00 C ATOM 892 CG ASP A 56 -7.058 26.540 -16.880 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.402 27.453 -16.333 1.00 0.00 O ATOM 894 OD2 ASP A 56 -7.883 26.701 -17.806 1.00 0.00 O ATOM 0 H ASP A 56 -6.338 23.006 -15.251 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.939 25.504 -15.476 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.427 24.517 -17.216 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.791 24.669 -16.127 1.00 0.00 H new ATOM 899 N LYS A 57 -5.561 26.063 -13.009 1.00 0.00 N ATOM 900 CA LYS A 57 -5.885 26.893 -11.859 1.00 0.00 C ATOM 901 C LYS A 57 -6.276 28.311 -12.295 1.00 0.00 C ATOM 902 O LYS A 57 -7.218 28.884 -11.753 1.00 0.00 O ATOM 903 CB LYS A 57 -4.692 26.943 -10.892 1.00 0.00 C ATOM 904 CG LYS A 57 -4.194 25.567 -10.424 1.00 0.00 C ATOM 905 CD LYS A 57 -5.302 24.743 -9.752 1.00 0.00 C ATOM 906 CE LYS A 57 -4.732 23.487 -9.082 1.00 0.00 C ATOM 907 NZ LYS A 57 -4.142 22.564 -10.067 1.00 0.00 N ATOM 0 H LYS A 57 -4.609 25.696 -12.994 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.739 26.450 -11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.869 27.468 -11.377 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.973 27.530 -10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.802 25.015 -11.278 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.369 25.701 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.813 25.355 -9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.046 24.456 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.974 23.775 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.523 22.976 -8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.813 21.704 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.858 22.309 -10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.338 23.026 -10.537 1.00 0.00 H new ATOM 921 N ASP A 58 -5.514 28.889 -13.231 1.00 0.00 N ATOM 922 CA ASP A 58 -5.612 30.300 -13.608 1.00 0.00 C ATOM 923 C ASP A 58 -5.426 30.538 -15.112 1.00 0.00 C ATOM 924 O ASP A 58 -5.959 31.508 -15.648 1.00 0.00 O ATOM 925 CB ASP A 58 -4.580 31.098 -12.802 1.00 0.00 C ATOM 926 CG ASP A 58 -4.665 32.594 -13.093 1.00 0.00 C ATOM 927 OD1 ASP A 58 -5.607 33.223 -12.564 1.00 0.00 O ATOM 928 OD2 ASP A 58 -3.780 33.080 -13.829 1.00 0.00 O ATOM 0 H ASP A 58 -4.802 28.380 -13.754 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.622 30.638 -13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.738 30.926 -11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.578 30.738 -13.038 1.00 0.00 H new ATOM 933 N GLY A 59 -4.670 29.676 -15.802 1.00 0.00 N ATOM 934 CA GLY A 59 -4.287 29.857 -17.203 1.00 0.00 C ATOM 935 C GLY A 59 -5.452 30.008 -18.200 1.00 0.00 C ATOM 936 O GLY A 59 -5.225 30.386 -19.349 1.00 0.00 O ATOM 0 H GLY A 59 -4.301 28.818 -15.392 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.654 30.741 -17.276 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.680 29.004 -17.508 1.00 0.00 H new ATOM 940 N SER A 60 -6.690 29.721 -17.784 1.00 0.00 N ATOM 941 CA SER A 60 -7.920 30.013 -18.513 1.00 0.00 C ATOM 942 C SER A 60 -7.885 29.521 -19.962 1.00 0.00 C ATOM 943 O SER A 60 -7.817 30.319 -20.894 1.00 0.00 O ATOM 944 CB SER A 60 -8.204 31.518 -18.440 1.00 0.00 C ATOM 945 OG SER A 60 -8.309 31.928 -17.089 1.00 0.00 O ATOM 0 H SER A 60 -6.865 29.259 -16.892 1.00 0.00 H new ATOM 0 HA SER A 60 -8.732 29.464 -18.036 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.406 32.071 -18.935 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.128 31.748 -18.971 1.00 0.00 H new ATOM 0 HG SER A 60 -7.435 31.848 -16.654 1.00 0.00 H new ATOM 951 N GLY A 61 -7.929 28.202 -20.154 1.00 0.00 N ATOM 952 CA GLY A 61 -7.880 27.584 -21.472 1.00 0.00 C ATOM 953 C GLY A 61 -6.444 27.279 -21.895 1.00 0.00 C ATOM 954 O GLY A 61 -6.218 26.343 -22.667 1.00 0.00 O ATOM 0 H GLY A 61 -8.000 27.530 -19.390 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.462 26.662 -21.464 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.343 28.247 -22.203 1.00 0.00 H new ATOM 958 N THR A 62 -5.475 28.046 -21.378 1.00 0.00 N ATOM 959 CA THR A 62 -4.065 27.740 -21.523 1.00 0.00 C ATOM 960 C THR A 62 -3.519 27.205 -20.198 1.00 0.00 C ATOM 961 O THR A 62 -4.160 27.345 -19.158 1.00 0.00 O ATOM 962 CB THR A 62 -3.290 28.955 -22.056 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.140 29.970 -21.082 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.954 29.569 -23.294 1.00 0.00 C ATOM 0 H THR A 62 -5.659 28.897 -20.847 1.00 0.00 H new ATOM 0 HA THR A 62 -3.931 26.956 -22.268 1.00 0.00 H new ATOM 0 HB THR A 62 -2.307 28.568 -22.325 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.929 29.985 -20.501 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.370 30.424 -23.634 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.002 28.824 -24.088 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.963 29.896 -23.041 1.00 0.00 H new ATOM 972 N ILE A 63 -2.348 26.570 -20.253 1.00 0.00 N ATOM 973 CA ILE A 63 -1.626 26.010 -19.127 1.00 0.00 C ATOM 974 C ILE A 63 -0.266 26.712 -19.083 1.00 0.00 C ATOM 975 O ILE A 63 0.528 26.604 -20.019 1.00 0.00 O ATOM 976 CB ILE A 63 -1.492 24.484 -19.306 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.843 23.778 -19.530 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.747 23.855 -18.123 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.828 23.894 -18.360 1.00 0.00 C ATOM 0 H ILE A 63 -1.857 26.429 -21.136 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.148 26.168 -18.183 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.908 24.336 -20.214 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.310 24.192 -20.423 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.658 22.722 -19.728 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.666 22.779 -18.275 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.251 24.287 -18.050 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.295 24.052 -17.202 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.750 23.368 -18.607 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.386 23.452 -17.467 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.049 24.945 -18.173 1.00 0.00 H new ATOM 991 N ASP A 64 -0.016 27.472 -18.014 1.00 0.00 N ATOM 992 CA ASP A 64 1.241 28.167 -17.777 1.00 0.00 C ATOM 993 C ASP A 64 2.333 27.176 -17.370 1.00 0.00 C ATOM 994 O ASP A 64 2.032 26.075 -16.909 1.00 0.00 O ATOM 995 CB ASP A 64 1.024 29.231 -16.690 1.00 0.00 C ATOM 996 CG ASP A 64 2.329 29.916 -16.304 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.795 30.743 -17.116 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.876 29.540 -15.244 1.00 0.00 O ATOM 0 H ASP A 64 -0.702 27.622 -17.274 1.00 0.00 H new ATOM 0 HA ASP A 64 1.570 28.656 -18.694 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.313 29.976 -17.047 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.582 28.766 -15.809 1.00 0.00 H new ATOM 1003 N PHE A 65 3.602 27.581 -17.500 1.00 0.00 N ATOM 1004 CA PHE A 65 4.745 26.780 -17.081 1.00 0.00 C ATOM 1005 C PHE A 65 4.578 26.245 -15.657 1.00 0.00 C ATOM 1006 O PHE A 65 4.823 25.067 -15.430 1.00 0.00 O ATOM 1007 CB PHE A 65 6.051 27.567 -17.238 1.00 0.00 C ATOM 1008 CG PHE A 65 7.284 26.822 -16.754 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.573 25.536 -17.251 1.00 0.00 C ATOM 1010 CD2 PHE A 65 8.077 27.356 -15.720 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.616 24.778 -16.693 1.00 0.00 C ATOM 1012 CE2 PHE A 65 9.140 26.609 -15.183 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.405 25.316 -15.662 1.00 0.00 C ATOM 0 H PHE A 65 3.860 28.482 -17.903 1.00 0.00 H new ATOM 0 HA PHE A 65 4.795 25.912 -17.739 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.184 27.824 -18.289 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.967 28.504 -16.688 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.990 25.131 -18.065 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.868 28.344 -15.338 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.812 23.780 -17.057 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.754 27.030 -14.401 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.213 24.737 -15.239 1.00 0.00 H new ATOM 1023 N GLU A 66 4.138 27.071 -14.703 1.00 0.00 N ATOM 1024 CA GLU A 66 3.948 26.621 -13.328 1.00 0.00 C ATOM 1025 C GLU A 66 2.898 25.503 -13.257 1.00 0.00 C ATOM 1026 O GLU A 66 3.107 24.476 -12.610 1.00 0.00 O ATOM 1027 CB GLU A 66 3.564 27.809 -12.434 1.00 0.00 C ATOM 1028 CG GLU A 66 4.684 28.860 -12.383 1.00 0.00 C ATOM 1029 CD GLU A 66 4.332 30.007 -11.440 1.00 0.00 C ATOM 1030 OE1 GLU A 66 3.415 30.776 -11.802 1.00 0.00 O ATOM 1031 OE2 GLU A 66 4.979 30.089 -10.373 1.00 0.00 O ATOM 0 H GLU A 66 3.908 28.052 -14.861 1.00 0.00 H new ATOM 0 HA GLU A 66 4.887 26.207 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.650 28.268 -12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.351 27.453 -11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.611 28.390 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.862 29.252 -13.384 1.00 0.00 H new ATOM 1038 N GLU A 67 1.761 25.696 -13.928 1.00 0.00 N ATOM 1039 CA GLU A 67 0.682 24.717 -13.956 1.00 0.00 C ATOM 1040 C GLU A 67 1.183 23.410 -14.594 1.00 0.00 C ATOM 1041 O GLU A 67 0.983 22.323 -14.051 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.529 25.307 -14.697 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.135 26.526 -13.974 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.223 27.213 -14.802 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -1.945 27.475 -15.991 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.303 27.500 -14.240 1.00 0.00 O ATOM 0 H GLU A 67 1.566 26.539 -14.468 1.00 0.00 H new ATOM 0 HA GLU A 67 0.360 24.479 -12.942 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.227 25.600 -15.702 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.293 24.537 -14.805 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.555 26.207 -13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.345 27.243 -13.751 1.00 0.00 H new ATOM 1053 N PHE A 68 1.875 23.517 -15.732 1.00 0.00 N ATOM 1054 CA PHE A 68 2.459 22.373 -16.418 1.00 0.00 C ATOM 1055 C PHE A 68 3.449 21.645 -15.506 1.00 0.00 C ATOM 1056 O PHE A 68 3.383 20.429 -15.358 1.00 0.00 O ATOM 1057 CB PHE A 68 3.140 22.833 -17.710 1.00 0.00 C ATOM 1058 CG PHE A 68 3.752 21.699 -18.508 1.00 0.00 C ATOM 1059 CD1 PHE A 68 2.924 20.827 -19.239 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.147 21.514 -18.522 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.489 19.777 -19.984 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.712 20.499 -19.315 1.00 0.00 C ATOM 1063 CZ PHE A 68 4.883 19.613 -20.019 1.00 0.00 C ATOM 0 H PHE A 68 2.044 24.407 -16.201 1.00 0.00 H new ATOM 0 HA PHE A 68 1.665 21.671 -16.675 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.410 23.351 -18.332 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.919 23.555 -17.464 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.853 20.965 -19.228 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.783 22.151 -17.925 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.851 19.097 -20.529 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.786 20.402 -19.382 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.317 18.804 -20.588 1.00 0.00 H new ATOM 1073 N LEU A 69 4.361 22.387 -14.880 1.00 0.00 N ATOM 1074 CA LEU A 69 5.325 21.857 -13.930 1.00 0.00 C ATOM 1075 C LEU A 69 4.598 21.111 -12.812 1.00 0.00 C ATOM 1076 O LEU A 69 4.993 20.003 -12.460 1.00 0.00 O ATOM 1077 CB LEU A 69 6.207 23.000 -13.402 1.00 0.00 C ATOM 1078 CG LEU A 69 7.214 22.588 -12.316 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.188 21.507 -12.799 1.00 0.00 C ATOM 1080 CD2 LEU A 69 8.009 23.827 -11.886 1.00 0.00 C ATOM 0 H LEU A 69 4.448 23.393 -15.025 1.00 0.00 H new ATOM 0 HA LEU A 69 5.981 21.137 -14.419 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.754 23.434 -14.239 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.562 23.783 -13.002 1.00 0.00 H new ATOM 0 HG LEU A 69 6.652 22.170 -11.481 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.877 21.252 -11.994 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.629 20.619 -13.093 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.751 21.880 -13.654 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.728 23.549 -11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.539 24.236 -12.746 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.326 24.579 -11.491 1.00 0.00 H new ATOM 1092 N THR A 70 3.524 21.691 -12.270 1.00 0.00 N ATOM 1093 CA THR A 70 2.709 21.025 -11.261 1.00 0.00 C ATOM 1094 C THR A 70 2.183 19.688 -11.800 1.00 0.00 C ATOM 1095 O THR A 70 2.364 18.655 -11.158 1.00 0.00 O ATOM 1096 CB THR A 70 1.581 21.951 -10.779 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.120 23.188 -10.359 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.835 21.342 -9.588 1.00 0.00 C ATOM 0 H THR A 70 3.200 22.626 -12.518 1.00 0.00 H new ATOM 0 HA THR A 70 3.326 20.801 -10.391 1.00 0.00 H new ATOM 0 HB THR A 70 0.893 22.088 -11.613 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.422 23.696 -11.141 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.043 22.020 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.399 20.387 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.531 21.185 -8.764 1.00 0.00 H new ATOM 1106 N MET A 71 1.558 19.697 -12.984 1.00 0.00 N ATOM 1107 CA MET A 71 1.060 18.481 -13.620 1.00 0.00 C ATOM 1108 C MET A 71 2.174 17.434 -13.735 1.00 0.00 C ATOM 1109 O MET A 71 2.011 16.304 -13.290 1.00 0.00 O ATOM 1110 CB MET A 71 0.426 18.827 -14.976 1.00 0.00 C ATOM 1111 CG MET A 71 -0.234 17.618 -15.659 1.00 0.00 C ATOM 1112 SD MET A 71 0.848 16.494 -16.584 1.00 0.00 S ATOM 1113 CE MET A 71 1.311 17.544 -17.981 1.00 0.00 C ATOM 0 H MET A 71 1.386 20.546 -13.522 1.00 0.00 H new ATOM 0 HA MET A 71 0.282 18.035 -13.000 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.321 19.608 -14.833 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.192 19.236 -15.635 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.749 17.037 -14.894 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.997 17.991 -16.343 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.828 16.945 -18.730 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.414 17.980 -18.421 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.970 18.340 -17.635 1.00 0.00 H new ATOM 1123 N MET A 72 3.316 17.822 -14.301 1.00 0.00 N ATOM 1124 CA MET A 72 4.452 16.931 -14.491 1.00 0.00 C ATOM 1125 C MET A 72 4.963 16.397 -13.147 1.00 0.00 C ATOM 1126 O MET A 72 5.281 15.216 -13.029 1.00 0.00 O ATOM 1127 CB MET A 72 5.542 17.658 -15.292 1.00 0.00 C ATOM 1128 CG MET A 72 5.093 17.917 -16.739 1.00 0.00 C ATOM 1129 SD MET A 72 4.882 16.466 -17.806 1.00 0.00 S ATOM 1130 CE MET A 72 6.603 15.990 -18.083 1.00 0.00 C ATOM 0 H MET A 72 3.477 18.770 -14.642 1.00 0.00 H new ATOM 0 HA MET A 72 4.141 16.058 -15.065 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.781 18.605 -14.808 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.454 17.061 -15.293 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.146 18.456 -16.709 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.822 18.579 -17.207 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.639 15.120 -18.739 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.139 16.817 -18.548 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.071 15.745 -17.129 1.00 0.00 H new ATOM 1140 N THR A 73 5.033 17.246 -12.118 1.00 0.00 N ATOM 1141 CA THR A 73 5.370 16.803 -10.770 1.00 0.00 C ATOM 1142 C THR A 73 4.364 15.738 -10.315 1.00 0.00 C ATOM 1143 O THR A 73 4.753 14.691 -9.797 1.00 0.00 O ATOM 1144 CB THR A 73 5.432 17.998 -9.803 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.329 18.973 -10.292 1.00 0.00 O ATOM 1146 CG2 THR A 73 5.936 17.577 -8.419 1.00 0.00 C ATOM 0 H THR A 73 4.859 18.248 -12.198 1.00 0.00 H new ATOM 0 HA THR A 73 6.362 16.351 -10.771 1.00 0.00 H new ATOM 0 HB THR A 73 4.419 18.394 -9.725 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.883 19.514 -10.976 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.967 18.447 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.264 16.829 -7.999 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.937 17.155 -8.509 1.00 0.00 H new ATOM 1154 N ALA A 74 3.072 15.977 -10.547 1.00 0.00 N ATOM 1155 CA ALA A 74 2.008 15.018 -10.278 1.00 0.00 C ATOM 1156 C ALA A 74 1.975 13.906 -11.339 1.00 0.00 C ATOM 1157 O ALA A 74 0.948 13.686 -11.976 1.00 0.00 O ATOM 1158 CB ALA A 74 0.672 15.763 -10.178 1.00 0.00 C ATOM 0 H ALA A 74 2.734 16.858 -10.934 1.00 0.00 H new ATOM 0 HA ALA A 74 2.200 14.523 -9.326 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.128 15.050 -9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.721 16.491 -9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.471 16.278 -11.118 1.00 0.00 H new ATOM 1164 N LYS A 75 3.085 13.167 -11.457 1.00 0.00 N ATOM 1165 CA LYS A 75 3.282 12.016 -12.334 1.00 0.00 C ATOM 1166 C LYS A 75 3.453 12.429 -13.803 1.00 0.00 C ATOM 1167 O LYS A 75 2.483 12.520 -14.551 1.00 0.00 O ATOM 1168 CB LYS A 75 2.195 10.942 -12.152 1.00 0.00 C ATOM 1169 CG LYS A 75 2.038 10.515 -10.687 1.00 0.00 C ATOM 1170 CD LYS A 75 1.021 9.371 -10.584 1.00 0.00 C ATOM 1171 CE LYS A 75 0.735 8.985 -9.128 1.00 0.00 C ATOM 1172 NZ LYS A 75 1.939 8.484 -8.442 1.00 0.00 N ATOM 0 H LYS A 75 3.919 13.373 -10.907 1.00 0.00 H new ATOM 0 HA LYS A 75 4.221 11.554 -12.028 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.243 11.325 -12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.444 10.070 -12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.000 10.195 -10.287 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.708 11.362 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.091 9.668 -11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.398 8.501 -11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.347 9.852 -8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.042 8.221 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.684 8.156 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.344 7.694 -8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.640 9.249 -8.369 1.00 0.00 H new ATOM 1186 N MET A 76 4.708 12.616 -14.225 1.00 0.00 N ATOM 1187 CA MET A 76 5.079 12.894 -15.609 1.00 0.00 C ATOM 1188 C MET A 76 4.415 11.908 -16.580 1.00 0.00 C ATOM 1189 O MET A 76 3.923 12.384 -17.627 1.00 0.00 O ATOM 1190 CB MET A 76 6.607 12.834 -15.770 1.00 0.00 C ATOM 1191 CG MET A 76 7.348 13.840 -14.879 1.00 0.00 C ATOM 1192 SD MET A 76 9.092 14.123 -15.285 1.00 0.00 S ATOM 1193 CE MET A 76 9.762 12.456 -15.092 1.00 0.00 C ATOM 1194 OXT MET A 76 4.449 10.694 -16.277 1.00 0.00 O ATOM 0 H MET A 76 5.510 12.577 -13.596 1.00 0.00 H new ATOM 0 HA MET A 76 4.726 13.896 -15.851 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.952 11.827 -15.535 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.864 13.023 -16.812 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.824 14.795 -14.928 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.287 13.496 -13.847 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.837 12.472 -15.274 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.571 12.102 -14.079 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.283 11.787 -15.807 1.00 0.00 H new TER 1204 MET A 76