USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 485 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 16 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 20 LYS NZ :NH3+ -175:sc= 1.96 (180deg=0.941) USER MOD Set 1.3: A 33 TYR OH : rot 100:sc= 0.813 USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 28 LYS NZ :NH3+ 133:sc= 1.23 (180deg=-0.276) USER MOD Set 2.3: A 32 HIS : no HE2:sc= 0.953 K(o=2.2,f=-12!) USER MOD Single : A 1 ARG N :NH3+ -166:sc= 0 (180deg=-0.207) USER MOD Single : A 2 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0554) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -155:sc= -0.0941 (180deg=-0.601) USER MOD Single : A 13 ASN : amide:sc= 0.885 K(o=0.89,f=-2) USER MOD Single : A 25 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.8) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.15) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.716 K(o=0.72,f=-0.042) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00397 USER MOD Single : A 40 SER OG : rot 33:sc= 1.03 USER MOD Single : A 42 MET CE :methyl -165:sc= -0.0229 (180deg=-0.361) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0022 (180deg=-0.113) USER MOD Single : A 49 THR OG1 : rot 75:sc= 0.682 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0.686 (180deg=-0.119!) USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= -0.0745 (180deg=-0.878!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -16.037 14.126 -3.550 1.00 0.00 N ATOM 2 CA ARG A 1 -14.679 14.679 -3.695 1.00 0.00 C ATOM 3 C ARG A 1 -14.047 14.874 -2.312 1.00 0.00 C ATOM 4 O ARG A 1 -13.741 13.890 -1.648 1.00 0.00 O ATOM 5 CB ARG A 1 -14.707 15.995 -4.491 1.00 0.00 C ATOM 6 CG ARG A 1 -15.166 15.724 -5.930 1.00 0.00 C ATOM 7 CD ARG A 1 -15.035 17.000 -6.767 1.00 0.00 C ATOM 8 NE ARG A 1 -13.624 17.337 -7.004 1.00 0.00 N ATOM 9 CZ ARG A 1 -13.234 18.397 -7.734 1.00 0.00 C ATOM 10 NH1 ARG A 1 -14.147 19.212 -8.283 1.00 0.00 N ATOM 11 NH2 ARG A 1 -11.929 18.641 -7.913 1.00 0.00 N ATOM 0 H1 ARG A 1 -16.369 13.776 -4.471 1.00 0.00 H new ATOM 0 H2 ARG A 1 -16.022 13.342 -2.867 1.00 0.00 H new ATOM 0 H3 ARG A 1 -16.680 14.869 -3.210 1.00 0.00 H new ATOM 0 HA ARG A 1 -14.066 13.974 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -15.381 16.706 -4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -13.716 16.449 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -14.565 14.927 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -16.201 15.381 -5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -15.545 16.866 -7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -15.528 17.826 -6.255 1.00 0.00 H new ATOM 0 HE ARG A 1 -12.906 16.738 -6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -15.141 19.029 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -13.847 20.015 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.233 18.023 -7.496 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -11.632 19.445 -8.466 1.00 0.00 H new ATOM 27 N LYS A 2 -13.860 16.143 -1.890 1.00 0.00 N ATOM 28 CA LYS A 2 -13.259 16.485 -0.595 1.00 0.00 C ATOM 29 C LYS A 2 -11.818 15.967 -0.521 1.00 0.00 C ATOM 30 O LYS A 2 -10.879 16.729 -0.739 1.00 0.00 O ATOM 31 CB LYS A 2 -14.113 15.936 0.565 1.00 0.00 C ATOM 32 CG LYS A 2 -15.438 16.706 0.668 1.00 0.00 C ATOM 33 CD LYS A 2 -15.179 18.137 1.167 1.00 0.00 C ATOM 34 CE LYS A 2 -16.452 18.713 1.797 1.00 0.00 C ATOM 35 NZ LYS A 2 -17.546 18.808 0.813 1.00 0.00 N ATOM 0 H LYS A 2 -14.125 16.957 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.232 17.570 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.313 14.876 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.562 16.021 1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.928 16.735 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.115 16.191 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.371 18.135 1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.857 18.767 0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.764 18.083 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.242 19.701 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.333 19.353 1.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.201 19.285 -0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.877 17.853 0.568 1.00 0.00 H new ATOM 49 N ARG A 3 -11.645 14.676 -0.209 1.00 0.00 N ATOM 50 CA ARG A 3 -10.328 14.072 -0.096 1.00 0.00 C ATOM 51 C ARG A 3 -10.421 12.592 -0.461 1.00 0.00 C ATOM 52 O ARG A 3 -11.109 11.828 0.213 1.00 0.00 O ATOM 53 CB ARG A 3 -9.815 14.253 1.338 1.00 0.00 C ATOM 54 CG ARG A 3 -8.397 13.688 1.462 1.00 0.00 C ATOM 55 CD ARG A 3 -7.852 13.975 2.862 1.00 0.00 C ATOM 56 NE ARG A 3 -6.513 13.400 3.032 1.00 0.00 N ATOM 57 CZ ARG A 3 -5.802 13.517 4.167 1.00 0.00 C ATOM 58 NH1 ARG A 3 -6.309 14.184 5.214 1.00 0.00 N ATOM 59 NH2 ARG A 3 -4.583 12.968 4.251 1.00 0.00 N ATOM 0 H ARG A 3 -12.415 14.031 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.629 14.553 -0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.819 15.310 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.480 13.746 2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.405 12.614 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.749 14.136 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.813 15.052 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.527 13.561 3.611 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.102 12.887 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.236 14.604 5.151 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.767 14.271 6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.196 12.462 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.042 13.056 5.111 1.00 0.00 H new ATOM 73 N GLN A 4 -9.724 12.192 -1.532 1.00 0.00 N ATOM 74 CA GLN A 4 -9.726 10.807 -1.980 1.00 0.00 C ATOM 75 C GLN A 4 -8.918 9.942 -1.010 1.00 0.00 C ATOM 76 O GLN A 4 -8.098 10.457 -0.249 1.00 0.00 O ATOM 77 CB GLN A 4 -9.151 10.721 -3.403 1.00 0.00 C ATOM 78 CG GLN A 4 -7.712 11.257 -3.437 1.00 0.00 C ATOM 79 CD GLN A 4 -7.050 10.951 -4.776 1.00 0.00 C ATOM 80 OE1 GLN A 4 -6.064 10.222 -4.830 1.00 0.00 O ATOM 81 NE2 GLN A 4 -7.593 11.510 -5.858 1.00 0.00 N ATOM 0 H GLN A 4 -9.152 12.816 -2.101 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.750 10.433 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.168 9.687 -3.746 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.775 11.294 -4.089 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.716 12.334 -3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.133 10.809 -2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.413 12.109 -5.765 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.188 11.338 -6.778 1.00 0.00 H new ATOM 90 N ALA A 5 -9.150 8.626 -1.047 1.00 0.00 N ATOM 91 CA ALA A 5 -8.451 7.690 -0.182 1.00 0.00 C ATOM 92 C ALA A 5 -8.546 6.283 -0.767 1.00 0.00 C ATOM 93 O ALA A 5 -9.366 6.028 -1.648 1.00 0.00 O ATOM 94 CB ALA A 5 -9.066 7.734 1.219 1.00 0.00 C ATOM 0 H ALA A 5 -9.824 8.189 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.399 7.967 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.542 7.032 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.975 8.741 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.119 7.460 1.163 1.00 0.00 H new ATOM 100 N TRP A 6 -7.703 5.373 -0.268 1.00 0.00 N ATOM 101 CA TRP A 6 -7.692 3.989 -0.720 1.00 0.00 C ATOM 102 C TRP A 6 -8.841 3.225 -0.064 1.00 0.00 C ATOM 103 O TRP A 6 -9.495 3.741 0.844 1.00 0.00 O ATOM 104 CB TRP A 6 -6.353 3.348 -0.343 1.00 0.00 C ATOM 105 CG TRP A 6 -5.182 3.733 -1.195 1.00 0.00 C ATOM 106 CD1 TRP A 6 -5.113 4.779 -2.042 1.00 0.00 C ATOM 107 CD2 TRP A 6 -3.888 3.073 -1.296 1.00 0.00 C ATOM 108 NE1 TRP A 6 -3.885 4.831 -2.659 1.00 0.00 N ATOM 109 CE2 TRP A 6 -3.078 3.791 -2.231 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.311 1.934 -0.691 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.770 3.403 -2.541 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -1.993 1.541 -1.001 1.00 0.00 C ATOM 113 CH2 TRP A 6 -1.225 2.277 -1.919 1.00 0.00 C ATOM 0 H TRP A 6 -7.015 5.579 0.456 1.00 0.00 H new ATOM 0 HA TRP A 6 -7.818 3.954 -1.802 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.126 3.607 0.691 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.466 2.265 -0.383 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -5.915 5.482 -2.213 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.607 5.539 -3.339 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.887 1.357 0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.188 3.968 -3.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.570 0.667 -0.529 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.214 1.972 -2.144 1.00 0.00 H new ATOM 124 N LEU A 7 -9.080 1.988 -0.521 1.00 0.00 N ATOM 125 CA LEU A 7 -10.130 1.147 0.037 1.00 0.00 C ATOM 126 C LEU A 7 -9.536 0.242 1.125 1.00 0.00 C ATOM 127 O LEU A 7 -8.315 0.112 1.239 1.00 0.00 O ATOM 128 CB LEU A 7 -10.807 0.329 -1.077 1.00 0.00 C ATOM 129 CG LEU A 7 -9.778 -0.524 -1.829 1.00 0.00 C ATOM 130 CD1 LEU A 7 -10.332 -1.937 -2.028 1.00 0.00 C ATOM 131 CD2 LEU A 7 -9.482 0.101 -3.198 1.00 0.00 C ATOM 0 H LEU A 7 -8.554 1.553 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.897 1.772 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.574 -0.314 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.308 1.001 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.858 -0.568 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.600 -2.543 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.536 -2.388 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.254 -1.888 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.750 -0.510 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.401 0.152 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.084 1.106 -3.061 1.00 0.00 H new ATOM 143 N TRP A 8 -10.414 -0.366 1.929 1.00 0.00 N ATOM 144 CA TRP A 8 -10.010 -1.205 3.051 1.00 0.00 C ATOM 145 C TRP A 8 -9.046 -2.318 2.619 1.00 0.00 C ATOM 146 O TRP A 8 -8.015 -2.517 3.258 1.00 0.00 O ATOM 147 CB TRP A 8 -11.264 -1.802 3.704 1.00 0.00 C ATOM 148 CG TRP A 8 -12.032 -2.759 2.840 1.00 0.00 C ATOM 149 CD1 TRP A 8 -12.926 -2.420 1.894 1.00 0.00 C ATOM 150 CD2 TRP A 8 -11.982 -4.219 2.818 1.00 0.00 C ATOM 151 NE1 TRP A 8 -13.441 -3.535 1.281 1.00 0.00 N ATOM 152 CE2 TRP A 8 -12.891 -4.687 1.815 1.00 0.00 C ATOM 153 CE3 TRP A 8 -11.264 -5.205 3.538 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -13.075 -6.045 1.543 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -11.449 -6.579 3.268 1.00 0.00 C ATOM 156 CH2 TRP A 8 -12.352 -6.995 2.273 1.00 0.00 C ATOM 0 H TRP A 8 -11.425 -0.287 1.816 1.00 0.00 H new ATOM 0 HA TRP A 8 -9.474 -0.585 3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -10.969 -2.317 4.618 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.927 -0.987 3.996 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -13.202 -1.405 1.649 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -14.135 -3.517 0.534 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -10.565 -4.902 4.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -13.769 -6.359 0.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -10.893 -7.315 3.829 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -12.487 -8.048 2.072 1.00 0.00 H new ATOM 167 N GLU A 9 -9.381 -3.052 1.550 1.00 0.00 N ATOM 168 CA GLU A 9 -8.560 -4.169 1.105 1.00 0.00 C ATOM 169 C GLU A 9 -7.177 -3.685 0.670 1.00 0.00 C ATOM 170 O GLU A 9 -6.177 -4.289 1.030 1.00 0.00 O ATOM 171 CB GLU A 9 -9.252 -4.912 -0.042 1.00 0.00 C ATOM 172 CG GLU A 9 -8.688 -6.336 -0.138 1.00 0.00 C ATOM 173 CD GLU A 9 -8.637 -6.816 -1.581 1.00 0.00 C ATOM 174 OE1 GLU A 9 -9.728 -7.073 -2.138 1.00 0.00 O ATOM 175 OE2 GLU A 9 -7.505 -6.923 -2.108 1.00 0.00 O ATOM 0 H GLU A 9 -10.213 -2.888 0.984 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.433 -4.857 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.328 -4.946 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.094 -4.382 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.687 -6.362 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.305 -7.014 0.451 1.00 0.00 H new ATOM 182 N GLU A 10 -7.126 -2.602 -0.109 1.00 0.00 N ATOM 183 CA GLU A 10 -5.864 -2.072 -0.608 1.00 0.00 C ATOM 184 C GLU A 10 -4.954 -1.673 0.558 1.00 0.00 C ATOM 185 O GLU A 10 -3.765 -2.002 0.559 1.00 0.00 O ATOM 186 CB GLU A 10 -6.148 -0.881 -1.525 1.00 0.00 C ATOM 187 CG GLU A 10 -4.958 -0.647 -2.450 1.00 0.00 C ATOM 188 CD GLU A 10 -5.266 0.439 -3.472 1.00 0.00 C ATOM 189 OE1 GLU A 10 -5.985 1.391 -3.103 1.00 0.00 O ATOM 190 OE2 GLU A 10 -4.772 0.302 -4.613 1.00 0.00 O ATOM 0 H GLU A 10 -7.948 -2.077 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.344 -2.839 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.046 -1.069 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.338 0.012 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.086 -0.361 -1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.705 -1.574 -2.964 1.00 0.00 H new ATOM 197 N ASP A 11 -5.510 -0.973 1.554 1.00 0.00 N ATOM 198 CA ASP A 11 -4.746 -0.567 2.726 1.00 0.00 C ATOM 199 C ASP A 11 -4.243 -1.809 3.463 1.00 0.00 C ATOM 200 O ASP A 11 -3.060 -1.909 3.789 1.00 0.00 O ATOM 201 CB ASP A 11 -5.632 0.280 3.643 1.00 0.00 C ATOM 202 CG ASP A 11 -4.872 0.696 4.897 1.00 0.00 C ATOM 203 OD1 ASP A 11 -4.208 1.752 4.834 1.00 0.00 O ATOM 204 OD2 ASP A 11 -4.968 -0.052 5.895 1.00 0.00 O ATOM 0 H ASP A 11 -6.487 -0.679 1.566 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.887 0.029 2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.974 1.166 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.521 -0.286 3.922 1.00 0.00 H new ATOM 209 N LYS A 12 -5.156 -2.754 3.715 1.00 0.00 N ATOM 210 CA LYS A 12 -4.835 -3.995 4.402 1.00 0.00 C ATOM 211 C LYS A 12 -3.711 -4.730 3.669 1.00 0.00 C ATOM 212 O LYS A 12 -2.793 -5.241 4.303 1.00 0.00 O ATOM 213 CB LYS A 12 -6.106 -4.854 4.473 1.00 0.00 C ATOM 214 CG LYS A 12 -5.826 -6.192 5.186 1.00 0.00 C ATOM 215 CD LYS A 12 -5.513 -7.323 4.176 1.00 0.00 C ATOM 216 CE LYS A 12 -6.637 -7.489 3.136 1.00 0.00 C ATOM 217 NZ LYS A 12 -7.973 -7.338 3.738 1.00 0.00 N ATOM 0 H LYS A 12 -6.136 -2.673 3.445 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.485 -3.787 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.888 -4.311 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.478 -5.045 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.986 -6.071 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.690 -6.471 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.575 -7.105 3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.373 -8.261 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.510 -6.750 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.558 -8.471 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.673 -7.850 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.965 -7.728 4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.225 -6.330 3.774 1.00 0.00 H new ATOM 231 N ASN A 13 -3.791 -4.783 2.334 1.00 0.00 N ATOM 232 CA ASN A 13 -2.795 -5.464 1.518 1.00 0.00 C ATOM 233 C ASN A 13 -1.420 -4.856 1.760 1.00 0.00 C ATOM 234 O ASN A 13 -0.468 -5.575 2.063 1.00 0.00 O ATOM 235 CB ASN A 13 -3.173 -5.342 0.035 1.00 0.00 C ATOM 236 CG ASN A 13 -4.381 -6.210 -0.315 1.00 0.00 C ATOM 237 OD1 ASN A 13 -4.814 -7.037 0.485 1.00 0.00 O ATOM 238 ND2 ASN A 13 -4.927 -6.020 -1.518 1.00 0.00 N ATOM 0 H ASN A 13 -4.546 -4.356 1.797 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.765 -6.518 1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.393 -4.301 -0.200 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.324 -5.635 -0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.736 -6.572 -1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.536 -5.323 -2.151 1.00 0.00 H new ATOM 245 N LEU A 14 -1.320 -3.531 1.622 1.00 0.00 N ATOM 246 CA LEU A 14 -0.064 -2.826 1.814 1.00 0.00 C ATOM 247 C LEU A 14 0.479 -3.098 3.214 1.00 0.00 C ATOM 248 O LEU A 14 1.579 -3.617 3.362 1.00 0.00 O ATOM 249 CB LEU A 14 -0.297 -1.323 1.593 1.00 0.00 C ATOM 250 CG LEU A 14 1.034 -0.549 1.649 1.00 0.00 C ATOM 251 CD1 LEU A 14 0.869 0.791 0.934 1.00 0.00 C ATOM 252 CD2 LEU A 14 1.443 -0.283 3.100 1.00 0.00 C ATOM 0 H LEU A 14 -2.104 -2.927 1.376 1.00 0.00 H new ATOM 0 HA LEU A 14 0.676 -3.178 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.776 -1.163 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.978 -0.940 2.353 1.00 0.00 H new ATOM 0 HG LEU A 14 1.804 -1.149 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.809 1.342 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.592 0.617 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.088 1.372 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.385 0.265 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.671 0.307 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.564 -1.231 3.623 1.00 0.00 H new ATOM 264 N ARG A 15 -0.293 -2.735 4.239 1.00 0.00 N ATOM 265 CA ARG A 15 0.129 -2.875 5.622 1.00 0.00 C ATOM 266 C ARG A 15 0.558 -4.313 5.929 1.00 0.00 C ATOM 267 O ARG A 15 1.663 -4.538 6.420 1.00 0.00 O ATOM 268 CB ARG A 15 -1.022 -2.434 6.531 1.00 0.00 C ATOM 269 CG ARG A 15 -0.581 -2.462 7.997 1.00 0.00 C ATOM 270 CD ARG A 15 -1.549 -1.623 8.834 1.00 0.00 C ATOM 271 NE ARG A 15 -1.134 -1.578 10.243 1.00 0.00 N ATOM 272 CZ ARG A 15 -1.422 -2.547 11.132 1.00 0.00 C ATOM 273 NH1 ARG A 15 -2.071 -3.654 10.743 1.00 0.00 N ATOM 274 NH2 ARG A 15 -1.059 -2.403 12.414 1.00 0.00 N ATOM 0 H ARG A 15 -1.226 -2.337 4.128 1.00 0.00 H new ATOM 0 HA ARG A 15 0.998 -2.242 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.344 -1.428 6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.879 -3.092 6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.562 -3.489 8.363 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.432 -2.071 8.091 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.596 -0.610 8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.553 -2.041 8.761 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.600 -0.771 10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.350 -3.766 9.768 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.286 -4.384 11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.566 -1.561 12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.275 -3.135 13.091 1.00 0.00 H new ATOM 288 N SER A 16 -0.319 -5.282 5.650 1.00 0.00 N ATOM 289 CA SER A 16 -0.053 -6.685 5.943 1.00 0.00 C ATOM 290 C SER A 16 1.147 -7.207 5.154 1.00 0.00 C ATOM 291 O SER A 16 1.893 -8.040 5.659 1.00 0.00 O ATOM 292 CB SER A 16 -1.299 -7.512 5.614 1.00 0.00 C ATOM 293 OG SER A 16 -1.089 -8.859 5.988 1.00 0.00 O ATOM 0 H SER A 16 -1.227 -5.113 5.217 1.00 0.00 H new ATOM 0 HA SER A 16 0.187 -6.777 7.002 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.164 -7.109 6.140 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.517 -7.450 4.548 1.00 0.00 H new ATOM 0 HG SER A 16 -1.888 -9.385 5.778 1.00 0.00 H new ATOM 299 N GLY A 17 1.327 -6.742 3.917 1.00 0.00 N ATOM 300 CA GLY A 17 2.406 -7.217 3.066 1.00 0.00 C ATOM 301 C GLY A 17 3.742 -6.587 3.448 1.00 0.00 C ATOM 302 O GLY A 17 4.679 -7.290 3.823 1.00 0.00 O ATOM 0 H GLY A 17 0.734 -6.034 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.480 -8.302 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.178 -6.985 2.026 1.00 0.00 H new ATOM 306 N VAL A 18 3.828 -5.263 3.334 1.00 0.00 N ATOM 307 CA VAL A 18 5.059 -4.525 3.583 1.00 0.00 C ATOM 308 C VAL A 18 5.670 -4.880 4.941 1.00 0.00 C ATOM 309 O VAL A 18 6.885 -5.045 5.040 1.00 0.00 O ATOM 310 CB VAL A 18 4.762 -3.019 3.497 1.00 0.00 C ATOM 311 CG1 VAL A 18 6.012 -2.224 3.877 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.349 -2.650 2.066 1.00 0.00 C ATOM 0 H VAL A 18 3.041 -4.672 3.065 1.00 0.00 H new ATOM 0 HA VAL A 18 5.792 -4.802 2.825 1.00 0.00 H new ATOM 0 HB VAL A 18 3.951 -2.779 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.798 -1.157 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.308 -2.476 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.823 -2.472 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.140 -1.582 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.158 -2.897 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.455 -3.209 1.790 1.00 0.00 H new ATOM 322 N ARG A 19 4.841 -4.984 5.989 1.00 0.00 N ATOM 323 CA ARG A 19 5.339 -5.242 7.337 1.00 0.00 C ATOM 324 C ARG A 19 6.112 -6.567 7.428 1.00 0.00 C ATOM 325 O ARG A 19 7.019 -6.677 8.251 1.00 0.00 O ATOM 326 CB ARG A 19 4.176 -5.207 8.345 1.00 0.00 C ATOM 327 CG ARG A 19 3.254 -6.427 8.175 1.00 0.00 C ATOM 328 CD ARG A 19 3.605 -7.513 9.202 1.00 0.00 C ATOM 329 NE ARG A 19 3.326 -7.058 10.571 1.00 0.00 N ATOM 330 CZ ARG A 19 3.682 -7.758 11.663 1.00 0.00 C ATOM 331 NH1 ARG A 19 4.305 -8.937 11.535 1.00 0.00 N ATOM 332 NH2 ARG A 19 3.415 -7.273 12.883 1.00 0.00 N ATOM 0 H ARG A 19 3.827 -4.893 5.924 1.00 0.00 H new ATOM 0 HA ARG A 19 6.047 -4.452 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.572 -5.186 9.360 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.601 -4.291 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.214 -6.124 8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.352 -6.827 7.166 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.031 -8.416 8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.659 -7.777 9.111 1.00 0.00 H new ATOM 0 HE ARG A 19 2.840 -6.170 10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.511 -9.307 10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.573 -9.465 12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.943 -6.374 12.982 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.684 -7.802 13.712 1.00 0.00 H new ATOM 346 N LYS A 20 5.759 -7.578 6.606 1.00 0.00 N ATOM 347 CA LYS A 20 6.426 -8.883 6.678 1.00 0.00 C ATOM 348 C LYS A 20 7.462 -9.054 5.563 1.00 0.00 C ATOM 349 O LYS A 20 8.431 -9.787 5.745 1.00 0.00 O ATOM 350 CB LYS A 20 5.386 -10.019 6.656 1.00 0.00 C ATOM 351 CG LYS A 20 4.586 -10.028 5.347 1.00 0.00 C ATOM 352 CD LYS A 20 3.706 -11.284 5.304 1.00 0.00 C ATOM 353 CE LYS A 20 2.719 -11.202 4.134 1.00 0.00 C ATOM 354 NZ LYS A 20 1.464 -10.541 4.538 1.00 0.00 N ATOM 0 H LYS A 20 5.028 -7.513 5.898 1.00 0.00 H new ATOM 0 HA LYS A 20 6.967 -8.931 7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.890 -10.977 6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.704 -9.905 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.967 -9.133 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.263 -10.014 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.331 -12.171 5.200 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.161 -11.387 6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.173 -10.652 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.502 -12.205 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.785 -10.576 3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.064 -11.031 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.658 -9.549 4.785 1.00 0.00 H new ATOM 368 N TYR A 21 7.270 -8.394 4.412 1.00 0.00 N ATOM 369 CA TYR A 21 8.201 -8.528 3.296 1.00 0.00 C ATOM 370 C TYR A 21 9.381 -7.569 3.465 1.00 0.00 C ATOM 371 O TYR A 21 10.529 -8.009 3.474 1.00 0.00 O ATOM 372 CB TYR A 21 7.469 -8.283 1.972 1.00 0.00 C ATOM 373 CG TYR A 21 6.517 -9.406 1.589 1.00 0.00 C ATOM 374 CD1 TYR A 21 6.969 -10.742 1.555 1.00 0.00 C ATOM 375 CD2 TYR A 21 5.183 -9.115 1.258 1.00 0.00 C ATOM 376 CE1 TYR A 21 6.085 -11.775 1.200 1.00 0.00 C ATOM 377 CE2 TYR A 21 4.304 -10.150 0.896 1.00 0.00 C ATOM 378 CZ TYR A 21 4.753 -11.477 0.869 1.00 0.00 C ATOM 379 OH TYR A 21 3.895 -12.479 0.521 1.00 0.00 O ATOM 0 H TYR A 21 6.484 -7.769 4.236 1.00 0.00 H new ATOM 0 HA TYR A 21 8.599 -9.543 3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.909 -7.351 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.204 -8.154 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.995 -10.971 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.832 -8.094 1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.430 -12.798 1.182 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.280 -9.922 0.638 1.00 0.00 H new ATOM 0 HH TYR A 21 3.013 -12.100 0.323 1.00 0.00 H new ATOM 389 N GLY A 22 9.109 -6.264 3.598 1.00 0.00 N ATOM 390 CA GLY A 22 10.167 -5.276 3.767 1.00 0.00 C ATOM 391 C GLY A 22 9.721 -3.910 3.258 1.00 0.00 C ATOM 392 O GLY A 22 8.920 -3.818 2.325 1.00 0.00 O ATOM 0 H GLY A 22 8.166 -5.875 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.439 -5.205 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.059 -5.596 3.228 1.00 0.00 H new ATOM 396 N GLU A 23 10.250 -2.845 3.877 1.00 0.00 N ATOM 397 CA GLU A 23 9.917 -1.475 3.509 1.00 0.00 C ATOM 398 C GLU A 23 10.788 -1.022 2.335 1.00 0.00 C ATOM 399 O GLU A 23 11.469 0.001 2.416 1.00 0.00 O ATOM 400 CB GLU A 23 10.127 -0.565 4.727 1.00 0.00 C ATOM 401 CG GLU A 23 9.471 -1.188 5.964 1.00 0.00 C ATOM 402 CD GLU A 23 9.348 -0.172 7.090 1.00 0.00 C ATOM 403 OE1 GLU A 23 10.336 0.559 7.317 1.00 0.00 O ATOM 404 OE2 GLU A 23 8.262 -0.139 7.706 1.00 0.00 O ATOM 0 H GLU A 23 10.918 -2.916 4.644 1.00 0.00 H new ATOM 0 HA GLU A 23 8.874 -1.418 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.193 -0.420 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.699 0.419 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.483 -1.568 5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.061 -2.040 6.302 1.00 0.00 H new ATOM 411 N GLY A 24 10.766 -1.790 1.243 1.00 0.00 N ATOM 412 CA GLY A 24 11.557 -1.483 0.062 1.00 0.00 C ATOM 413 C GLY A 24 11.550 -2.672 -0.892 1.00 0.00 C ATOM 414 O GLY A 24 12.593 -3.062 -1.411 1.00 0.00 O ATOM 0 H GLY A 24 10.202 -2.635 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.153 -0.603 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.580 -1.244 0.351 1.00 0.00 H new ATOM 418 N ASN A 25 10.364 -3.247 -1.117 1.00 0.00 N ATOM 419 CA ASN A 25 10.202 -4.391 -2.002 1.00 0.00 C ATOM 420 C ASN A 25 8.790 -4.347 -2.585 1.00 0.00 C ATOM 421 O ASN A 25 8.043 -5.324 -2.532 1.00 0.00 O ATOM 422 CB ASN A 25 10.463 -5.676 -1.198 1.00 0.00 C ATOM 423 CG ASN A 25 10.493 -6.922 -2.084 1.00 0.00 C ATOM 424 OD1 ASN A 25 10.039 -7.980 -1.665 1.00 0.00 O ATOM 425 ND2 ASN A 25 11.034 -6.804 -3.299 1.00 0.00 N ATOM 0 H ASN A 25 9.495 -2.929 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 25 10.912 -4.368 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.413 -5.585 -0.671 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.688 -5.791 -0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.081 -7.614 -3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.401 -5.904 -3.609 1.00 0.00 H new ATOM 432 N TRP A 26 8.438 -3.179 -3.131 1.00 0.00 N ATOM 433 CA TRP A 26 7.114 -2.911 -3.677 1.00 0.00 C ATOM 434 C TRP A 26 6.797 -3.834 -4.856 1.00 0.00 C ATOM 435 O TRP A 26 5.633 -4.147 -5.097 1.00 0.00 O ATOM 436 CB TRP A 26 7.060 -1.439 -4.100 1.00 0.00 C ATOM 437 CG TRP A 26 7.834 -0.519 -3.202 1.00 0.00 C ATOM 438 CD1 TRP A 26 8.871 0.251 -3.575 1.00 0.00 C ATOM 439 CD2 TRP A 26 7.677 -0.285 -1.769 1.00 0.00 C ATOM 440 NE1 TRP A 26 9.383 0.940 -2.503 1.00 0.00 N ATOM 441 CE2 TRP A 26 8.681 0.644 -1.349 1.00 0.00 C ATOM 442 CE3 TRP A 26 6.796 -0.766 -0.770 1.00 0.00 C ATOM 443 CZ2 TRP A 26 8.807 1.065 -0.023 1.00 0.00 C ATOM 444 CZ3 TRP A 26 6.917 -0.337 0.570 1.00 0.00 C ATOM 445 CH2 TRP A 26 7.921 0.574 0.940 1.00 0.00 C ATOM 0 H TRP A 26 9.076 -2.387 -3.205 1.00 0.00 H new ATOM 0 HA TRP A 26 6.359 -3.108 -2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.446 -1.349 -5.116 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.019 -1.116 -4.124 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.251 0.319 -4.584 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.174 1.583 -2.551 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.022 -1.470 -1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.582 1.764 0.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.232 -0.712 1.316 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.008 0.894 1.968 1.00 0.00 H new ATOM 456 N SER A 27 7.826 -4.273 -5.587 1.00 0.00 N ATOM 457 CA SER A 27 7.633 -5.166 -6.720 1.00 0.00 C ATOM 458 C SER A 27 6.950 -6.453 -6.252 1.00 0.00 C ATOM 459 O SER A 27 5.969 -6.890 -6.847 1.00 0.00 O ATOM 460 CB SER A 27 8.988 -5.473 -7.361 1.00 0.00 C ATOM 461 OG SER A 27 9.547 -4.285 -7.881 1.00 0.00 O ATOM 0 H SER A 27 8.798 -4.021 -5.410 1.00 0.00 H new ATOM 0 HA SER A 27 6.994 -4.688 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.660 -5.910 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.867 -6.208 -8.156 1.00 0.00 H new ATOM 0 HG SER A 27 10.415 -4.484 -8.289 1.00 0.00 H new ATOM 467 N LYS A 28 7.477 -7.053 -5.177 1.00 0.00 N ATOM 468 CA LYS A 28 6.935 -8.286 -4.626 1.00 0.00 C ATOM 469 C LYS A 28 5.516 -8.048 -4.102 1.00 0.00 C ATOM 470 O LYS A 28 4.639 -8.896 -4.278 1.00 0.00 O ATOM 471 CB LYS A 28 7.861 -8.770 -3.507 1.00 0.00 C ATOM 472 CG LYS A 28 7.483 -10.189 -3.081 1.00 0.00 C ATOM 473 CD LYS A 28 8.583 -10.755 -2.175 1.00 0.00 C ATOM 474 CE LYS A 28 8.214 -12.165 -1.706 1.00 0.00 C ATOM 475 NZ LYS A 28 8.075 -13.094 -2.841 1.00 0.00 N ATOM 0 H LYS A 28 8.287 -6.694 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 28 6.879 -9.051 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.896 -8.749 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.793 -8.096 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.529 -10.181 -2.553 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.356 -10.823 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.530 -10.780 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.724 -10.103 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.980 -12.535 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.279 -12.130 -1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.590 -13.974 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.069 -13.309 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.468 -12.656 -3.698 1.00 0.00 H new ATOM 489 N ILE A 29 5.295 -6.891 -3.461 1.00 0.00 N ATOM 490 CA ILE A 29 3.987 -6.533 -2.928 1.00 0.00 C ATOM 491 C ILE A 29 2.953 -6.555 -4.053 1.00 0.00 C ATOM 492 O ILE A 29 1.909 -7.194 -3.928 1.00 0.00 O ATOM 493 CB ILE A 29 4.063 -5.134 -2.286 1.00 0.00 C ATOM 494 CG1 ILE A 29 4.964 -5.164 -1.038 1.00 0.00 C ATOM 495 CG2 ILE A 29 2.659 -4.649 -1.909 1.00 0.00 C ATOM 496 CD1 ILE A 29 4.220 -5.766 0.155 1.00 0.00 C ATOM 0 H ILE A 29 6.016 -6.187 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 29 3.687 -7.253 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 29 4.493 -4.443 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.861 -5.748 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.291 -4.153 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.725 -3.660 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.039 -4.598 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.213 -5.344 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.876 -5.777 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.337 -5.165 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.916 -6.785 -0.083 1.00 0.00 H new ATOM 508 N LEU A 30 3.257 -5.852 -5.151 1.00 0.00 N ATOM 509 CA LEU A 30 2.370 -5.770 -6.303 1.00 0.00 C ATOM 510 C LEU A 30 2.159 -7.161 -6.914 1.00 0.00 C ATOM 511 O LEU A 30 1.083 -7.454 -7.430 1.00 0.00 O ATOM 512 CB LEU A 30 2.990 -4.812 -7.332 1.00 0.00 C ATOM 513 CG LEU A 30 1.933 -4.354 -8.346 1.00 0.00 C ATOM 514 CD1 LEU A 30 1.136 -3.177 -7.773 1.00 0.00 C ATOM 515 CD2 LEU A 30 2.625 -3.913 -9.638 1.00 0.00 C ATOM 0 H LEU A 30 4.125 -5.327 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 30 1.395 -5.392 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.413 -3.946 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.810 -5.308 -7.852 1.00 0.00 H new ATOM 0 HG LEU A 30 1.255 -5.182 -8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.388 -2.857 -8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.641 -3.487 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.812 -2.349 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.875 -3.587 -10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.305 -3.088 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.188 -4.749 -10.053 1.00 0.00 H new ATOM 527 N LEU A 31 3.191 -8.012 -6.858 1.00 0.00 N ATOM 528 CA LEU A 31 3.123 -9.355 -7.419 1.00 0.00 C ATOM 529 C LEU A 31 2.058 -10.185 -6.692 1.00 0.00 C ATOM 530 O LEU A 31 1.180 -10.763 -7.329 1.00 0.00 O ATOM 531 CB LEU A 31 4.509 -10.022 -7.293 1.00 0.00 C ATOM 532 CG LEU A 31 4.821 -10.928 -8.504 1.00 0.00 C ATOM 533 CD1 LEU A 31 3.679 -11.918 -8.750 1.00 0.00 C ATOM 534 CD2 LEU A 31 5.054 -10.078 -9.760 1.00 0.00 C ATOM 0 H LEU A 31 4.087 -7.786 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 31 2.843 -9.297 -8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.276 -9.253 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.546 -10.613 -6.378 1.00 0.00 H new ATOM 0 HG LEU A 31 5.728 -11.491 -8.282 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.920 -12.546 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.544 -12.544 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.759 -11.369 -8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.273 -10.730 -10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.159 -9.493 -9.975 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.896 -9.406 -9.593 1.00 0.00 H new ATOM 546 N HIS A 32 2.148 -10.254 -5.358 1.00 0.00 N ATOM 547 CA HIS A 32 1.233 -11.064 -4.565 1.00 0.00 C ATOM 548 C HIS A 32 -0.125 -10.380 -4.416 1.00 0.00 C ATOM 549 O HIS A 32 -1.127 -10.878 -4.928 1.00 0.00 O ATOM 550 CB HIS A 32 1.858 -11.335 -3.195 1.00 0.00 C ATOM 551 CG HIS A 32 3.153 -12.093 -3.299 1.00 0.00 C ATOM 552 ND1 HIS A 32 3.296 -13.237 -4.077 1.00 0.00 N ATOM 553 CD2 HIS A 32 4.385 -11.894 -2.737 1.00 0.00 C ATOM 554 CE1 HIS A 32 4.572 -13.644 -3.939 1.00 0.00 C ATOM 555 NE2 HIS A 32 5.295 -12.865 -3.132 1.00 0.00 N ATOM 0 H HIS A 32 2.849 -9.755 -4.810 1.00 0.00 H new ATOM 0 HA HIS A 32 1.064 -12.010 -5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.034 -10.388 -2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.156 -11.902 -2.583 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.573 -13.682 -4.643 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.621 -11.080 -2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.972 -14.517 -4.434 1.00 0.00 H new ATOM 563 N TYR A 33 -0.166 -9.251 -3.703 1.00 0.00 N ATOM 564 CA TYR A 33 -1.412 -8.545 -3.455 1.00 0.00 C ATOM 565 C TYR A 33 -1.790 -7.697 -4.664 1.00 0.00 C ATOM 566 O TYR A 33 -0.925 -7.103 -5.301 1.00 0.00 O ATOM 567 CB TYR A 33 -1.260 -7.655 -2.224 1.00 0.00 C ATOM 568 CG TYR A 33 -1.123 -8.418 -0.924 1.00 0.00 C ATOM 569 CD1 TYR A 33 -2.251 -9.019 -0.338 1.00 0.00 C ATOM 570 CD2 TYR A 33 0.130 -8.512 -0.290 1.00 0.00 C ATOM 571 CE1 TYR A 33 -2.127 -9.712 0.880 1.00 0.00 C ATOM 572 CE2 TYR A 33 0.253 -9.206 0.926 1.00 0.00 C ATOM 573 CZ TYR A 33 -0.875 -9.805 1.511 1.00 0.00 C ATOM 574 OH TYR A 33 -0.752 -10.475 2.696 1.00 0.00 O ATOM 0 H TYR A 33 0.656 -8.811 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.203 -9.274 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.384 -7.020 -2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.125 -6.995 -2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.213 -8.949 -0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.998 -8.051 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.994 -10.172 1.330 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.215 -9.279 1.411 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.395 -11.372 2.529 1.00 0.00 H new ATOM 584 N LYS A 34 -3.094 -7.633 -4.967 1.00 0.00 N ATOM 585 CA LYS A 34 -3.592 -6.825 -6.067 1.00 0.00 C ATOM 586 C LYS A 34 -3.876 -5.411 -5.560 1.00 0.00 C ATOM 587 O LYS A 34 -4.118 -5.215 -4.366 1.00 0.00 O ATOM 588 CB LYS A 34 -4.848 -7.472 -6.672 1.00 0.00 C ATOM 589 CG LYS A 34 -6.036 -7.369 -5.705 1.00 0.00 C ATOM 590 CD LYS A 34 -7.250 -8.076 -6.320 1.00 0.00 C ATOM 591 CE LYS A 34 -8.516 -7.736 -5.526 1.00 0.00 C ATOM 592 NZ LYS A 34 -8.465 -8.304 -4.169 1.00 0.00 N ATOM 0 H LYS A 34 -3.819 -8.137 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.842 -6.766 -6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.097 -6.983 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.649 -8.519 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.782 -7.824 -4.748 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.271 -6.323 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.370 -7.771 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.091 -9.154 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.630 -6.654 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.391 -8.120 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.350 -8.086 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.346 -9.335 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.663 -7.892 -3.650 1.00 0.00 H new ATOM 606 N PHE A 35 -3.841 -4.429 -6.470 1.00 0.00 N ATOM 607 CA PHE A 35 -4.070 -3.035 -6.122 1.00 0.00 C ATOM 608 C PHE A 35 -4.899 -2.358 -7.212 1.00 0.00 C ATOM 609 O PHE A 35 -5.142 -2.946 -8.265 1.00 0.00 O ATOM 610 CB PHE A 35 -2.720 -2.330 -5.952 1.00 0.00 C ATOM 611 CG PHE A 35 -1.969 -2.755 -4.706 1.00 0.00 C ATOM 612 CD1 PHE A 35 -1.200 -3.932 -4.712 1.00 0.00 C ATOM 613 CD2 PHE A 35 -2.045 -1.975 -3.539 1.00 0.00 C ATOM 614 CE1 PHE A 35 -0.519 -4.331 -3.551 1.00 0.00 C ATOM 615 CE2 PHE A 35 -1.367 -2.378 -2.377 1.00 0.00 C ATOM 616 CZ PHE A 35 -0.605 -3.557 -2.383 1.00 0.00 C ATOM 0 H PHE A 35 -3.654 -4.585 -7.460 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.622 -2.974 -5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.101 -2.532 -6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.883 -1.253 -5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.133 -4.529 -5.610 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.626 -1.064 -3.536 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.072 -5.235 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.432 -1.781 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.085 -3.869 -1.489 1.00 0.00 H new ATOM 626 N ASN A 36 -5.332 -1.118 -6.952 1.00 0.00 N ATOM 627 CA ASN A 36 -6.142 -0.361 -7.896 1.00 0.00 C ATOM 628 C ASN A 36 -5.244 0.267 -8.960 1.00 0.00 C ATOM 629 O ASN A 36 -5.409 -0.004 -10.146 1.00 0.00 O ATOM 630 CB ASN A 36 -6.928 0.715 -7.138 1.00 0.00 C ATOM 631 CG ASN A 36 -7.494 1.763 -8.091 1.00 0.00 C ATOM 632 OD1 ASN A 36 -7.045 2.908 -8.092 1.00 0.00 O ATOM 633 ND2 ASN A 36 -8.477 1.373 -8.902 1.00 0.00 N ATOM 0 H ASN A 36 -5.129 -0.620 -6.085 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.848 -1.024 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.741 0.250 -6.581 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.277 1.197 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.889 2.035 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.817 0.412 -8.866 1.00 0.00 H new ATOM 640 N ASN A 37 -4.295 1.109 -8.531 1.00 0.00 N ATOM 641 CA ASN A 37 -3.384 1.777 -9.452 1.00 0.00 C ATOM 642 C ASN A 37 -2.071 2.094 -8.732 1.00 0.00 C ATOM 643 O ASN A 37 -1.655 3.252 -8.658 1.00 0.00 O ATOM 644 CB ASN A 37 -4.056 3.048 -9.996 1.00 0.00 C ATOM 645 CG ASN A 37 -3.398 3.509 -11.295 1.00 0.00 C ATOM 646 OD1 ASN A 37 -3.960 3.333 -12.372 1.00 0.00 O ATOM 647 ND2 ASN A 37 -2.209 4.101 -11.196 1.00 0.00 N ATOM 0 H ASN A 37 -4.143 1.340 -7.549 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.153 1.128 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.115 2.857 -10.170 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.994 3.842 -9.252 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.731 4.428 -12.035 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.777 4.228 -10.281 1.00 0.00 H new ATOM 654 N ARG A 38 -1.423 1.052 -8.200 1.00 0.00 N ATOM 655 CA ARG A 38 -0.149 1.194 -7.504 1.00 0.00 C ATOM 656 C ARG A 38 0.975 0.676 -8.396 1.00 0.00 C ATOM 657 O ARG A 38 0.727 -0.087 -9.330 1.00 0.00 O ATOM 658 CB ARG A 38 -0.189 0.398 -6.193 1.00 0.00 C ATOM 659 CG ARG A 38 -0.710 1.270 -5.043 1.00 0.00 C ATOM 660 CD ARG A 38 -2.193 1.604 -5.238 1.00 0.00 C ATOM 661 NE ARG A 38 -2.373 2.919 -5.861 1.00 0.00 N ATOM 662 CZ ARG A 38 -3.567 3.531 -5.948 1.00 0.00 C ATOM 663 NH1 ARG A 38 -4.655 2.969 -5.409 1.00 0.00 N ATOM 664 NH2 ARG A 38 -3.669 4.707 -6.581 1.00 0.00 N ATOM 0 H ARG A 38 -1.768 0.093 -8.242 1.00 0.00 H new ATOM 0 HA ARG A 38 0.030 2.245 -7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.830 -0.476 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.809 0.031 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.572 0.749 -4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.130 2.191 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.660 0.840 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.701 1.585 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.555 3.391 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.581 2.072 -4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.558 3.438 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.842 5.136 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.574 5.173 -6.648 1.00 0.00 H new ATOM 678 N THR A 39 2.215 1.090 -8.098 1.00 0.00 N ATOM 679 CA THR A 39 3.382 0.664 -8.860 1.00 0.00 C ATOM 680 C THR A 39 4.562 0.464 -7.907 1.00 0.00 C ATOM 681 O THR A 39 5.039 -0.656 -7.742 1.00 0.00 O ATOM 682 CB THR A 39 3.707 1.716 -9.933 1.00 0.00 C ATOM 683 OG1 THR A 39 2.553 1.978 -10.704 1.00 0.00 O ATOM 684 CG2 THR A 39 4.817 1.195 -10.849 1.00 0.00 C ATOM 0 H THR A 39 2.429 1.724 -7.328 1.00 0.00 H new ATOM 0 HA THR A 39 3.178 -0.282 -9.361 1.00 0.00 H new ATOM 0 HB THR A 39 4.038 2.633 -9.445 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.761 2.650 -11.386 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.044 1.944 -11.608 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.711 0.994 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.487 0.276 -11.333 1.00 0.00 H new ATOM 692 N SER A 40 5.027 1.556 -7.285 1.00 0.00 N ATOM 693 CA SER A 40 6.150 1.511 -6.353 1.00 0.00 C ATOM 694 C SER A 40 6.169 2.790 -5.521 1.00 0.00 C ATOM 695 O SER A 40 6.164 2.736 -4.292 1.00 0.00 O ATOM 696 CB SER A 40 7.465 1.360 -7.129 1.00 0.00 C ATOM 697 OG SER A 40 7.690 0.001 -7.433 1.00 0.00 O ATOM 0 H SER A 40 4.634 2.488 -7.416 1.00 0.00 H new ATOM 0 HA SER A 40 6.039 0.655 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.424 1.945 -8.048 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.293 1.751 -6.538 1.00 0.00 H new ATOM 0 HG SER A 40 6.832 -0.446 -7.586 1.00 0.00 H new ATOM 703 N VAL A 41 6.192 3.943 -6.202 1.00 0.00 N ATOM 704 CA VAL A 41 6.224 5.239 -5.540 1.00 0.00 C ATOM 705 C VAL A 41 4.991 5.405 -4.649 1.00 0.00 C ATOM 706 O VAL A 41 5.106 5.862 -3.519 1.00 0.00 O ATOM 707 CB VAL A 41 6.285 6.350 -6.602 1.00 0.00 C ATOM 708 CG1 VAL A 41 6.285 7.723 -5.921 1.00 0.00 C ATOM 709 CG2 VAL A 41 7.563 6.201 -7.435 1.00 0.00 C ATOM 0 H VAL A 41 6.189 3.996 -7.221 1.00 0.00 H new ATOM 0 HA VAL A 41 7.109 5.306 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 41 5.413 6.266 -7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.328 8.505 -6.679 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.374 7.838 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.152 7.804 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.602 6.990 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.433 6.277 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.564 5.229 -7.929 1.00 0.00 H new ATOM 719 N MET A 42 3.814 5.032 -5.168 1.00 0.00 N ATOM 720 CA MET A 42 2.567 5.150 -4.425 1.00 0.00 C ATOM 721 C MET A 42 2.626 4.307 -3.149 1.00 0.00 C ATOM 722 O MET A 42 2.289 4.792 -2.071 1.00 0.00 O ATOM 723 CB MET A 42 1.402 4.696 -5.316 1.00 0.00 C ATOM 724 CG MET A 42 1.206 5.676 -6.481 1.00 0.00 C ATOM 725 SD MET A 42 0.767 7.365 -5.981 1.00 0.00 S ATOM 726 CE MET A 42 -0.848 7.047 -5.226 1.00 0.00 C ATOM 0 H MET A 42 3.706 4.645 -6.105 1.00 0.00 H new ATOM 0 HA MET A 42 2.414 6.190 -4.137 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.600 3.696 -5.703 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.487 4.634 -4.726 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.124 5.712 -7.067 1.00 0.00 H new ATOM 0 HG3 MET A 42 0.425 5.290 -7.136 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.384 7.988 -5.103 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.426 6.382 -5.869 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.708 6.579 -4.252 1.00 0.00 H new ATOM 736 N LEU A 43 3.053 3.047 -3.278 1.00 0.00 N ATOM 737 CA LEU A 43 3.147 2.138 -2.142 1.00 0.00 C ATOM 738 C LEU A 43 4.101 2.717 -1.094 1.00 0.00 C ATOM 739 O LEU A 43 3.760 2.792 0.086 1.00 0.00 O ATOM 740 CB LEU A 43 3.641 0.768 -2.629 1.00 0.00 C ATOM 741 CG LEU A 43 2.593 0.125 -3.557 1.00 0.00 C ATOM 742 CD1 LEU A 43 3.278 -0.840 -4.520 1.00 0.00 C ATOM 743 CD2 LEU A 43 1.562 -0.645 -2.730 1.00 0.00 C ATOM 0 H LEU A 43 3.340 2.636 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 43 2.166 2.016 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.586 0.881 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.830 0.117 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 43 2.093 0.914 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.532 -1.292 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.007 -0.297 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.785 -1.621 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.825 -1.096 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.063 -1.427 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.061 0.039 -2.045 1.00 0.00 H new ATOM 755 N LYS A 44 5.294 3.129 -1.537 1.00 0.00 N ATOM 756 CA LYS A 44 6.300 3.705 -0.658 1.00 0.00 C ATOM 757 C LYS A 44 5.731 4.920 0.078 1.00 0.00 C ATOM 758 O LYS A 44 5.780 4.985 1.306 1.00 0.00 O ATOM 759 CB LYS A 44 7.515 4.102 -1.507 1.00 0.00 C ATOM 760 CG LYS A 44 8.566 4.800 -0.639 1.00 0.00 C ATOM 761 CD LYS A 44 9.832 5.038 -1.471 1.00 0.00 C ATOM 762 CE LYS A 44 10.742 6.050 -0.765 1.00 0.00 C ATOM 763 NZ LYS A 44 10.215 7.423 -0.896 1.00 0.00 N ATOM 0 H LYS A 44 5.582 3.070 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 44 6.602 2.975 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.948 3.216 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.202 4.764 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.177 5.748 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.799 4.188 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.364 4.098 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.563 5.407 -2.460 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.830 5.790 0.290 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.745 6.000 -1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.952 8.105 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.931 7.593 -1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.390 7.539 -0.274 1.00 0.00 H new ATOM 777 N ASP A 45 5.202 5.882 -0.683 1.00 0.00 N ATOM 778 CA ASP A 45 4.648 7.109 -0.132 1.00 0.00 C ATOM 779 C ASP A 45 3.610 6.801 0.944 1.00 0.00 C ATOM 780 O ASP A 45 3.782 7.185 2.100 1.00 0.00 O ATOM 781 CB ASP A 45 4.015 7.921 -1.270 1.00 0.00 C ATOM 782 CG ASP A 45 3.094 9.006 -0.724 1.00 0.00 C ATOM 783 OD1 ASP A 45 3.638 10.011 -0.222 1.00 0.00 O ATOM 784 OD2 ASP A 45 1.861 8.806 -0.821 1.00 0.00 O ATOM 0 H ASP A 45 5.149 5.826 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 45 5.446 7.688 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.799 8.376 -1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.451 7.257 -1.925 1.00 0.00 H new ATOM 789 N ARG A 46 2.529 6.120 0.556 1.00 0.00 N ATOM 790 CA ARG A 46 1.434 5.822 1.463 1.00 0.00 C ATOM 791 C ARG A 46 1.926 5.090 2.710 1.00 0.00 C ATOM 792 O ARG A 46 1.453 5.378 3.807 1.00 0.00 O ATOM 793 CB ARG A 46 0.373 4.998 0.728 1.00 0.00 C ATOM 794 CG ARG A 46 -0.297 5.849 -0.362 1.00 0.00 C ATOM 795 CD ARG A 46 -1.045 7.030 0.267 1.00 0.00 C ATOM 796 NE ARG A 46 -2.085 7.537 -0.639 1.00 0.00 N ATOM 797 CZ ARG A 46 -1.831 8.351 -1.683 1.00 0.00 C ATOM 798 NH1 ARG A 46 -0.581 8.760 -1.945 1.00 0.00 N ATOM 799 NH2 ARG A 46 -2.839 8.756 -2.467 1.00 0.00 N ATOM 0 H ARG A 46 2.395 5.765 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 46 0.991 6.761 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.832 4.116 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.377 4.643 1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.456 6.217 -1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.991 5.235 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.498 6.719 1.208 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.341 7.828 0.501 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.051 7.258 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.190 8.455 -1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.402 9.376 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.792 8.448 -2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.654 9.372 -3.259 1.00 0.00 H new ATOM 813 N TRP A 47 2.867 4.149 2.563 1.00 0.00 N ATOM 814 CA TRP A 47 3.374 3.418 3.714 1.00 0.00 C ATOM 815 C TRP A 47 4.024 4.382 4.700 1.00 0.00 C ATOM 816 O TRP A 47 3.729 4.338 5.891 1.00 0.00 O ATOM 817 CB TRP A 47 4.375 2.349 3.280 1.00 0.00 C ATOM 818 CG TRP A 47 4.922 1.532 4.415 1.00 0.00 C ATOM 819 CD1 TRP A 47 6.223 1.293 4.647 1.00 0.00 C ATOM 820 CD2 TRP A 47 4.206 0.844 5.498 1.00 0.00 C ATOM 821 NE1 TRP A 47 6.390 0.516 5.768 1.00 0.00 N ATOM 822 CE2 TRP A 47 5.171 0.203 6.337 1.00 0.00 C ATOM 823 CE3 TRP A 47 2.845 0.693 5.868 1.00 0.00 C ATOM 824 CZ2 TRP A 47 4.811 -0.547 7.461 1.00 0.00 C ATOM 825 CZ3 TRP A 47 2.480 -0.061 7.003 1.00 0.00 C ATOM 826 CH2 TRP A 47 3.461 -0.681 7.795 1.00 0.00 C ATOM 0 H TRP A 47 3.283 3.884 1.670 1.00 0.00 H new ATOM 0 HA TRP A 47 2.536 2.921 4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.893 1.683 2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.203 2.830 2.759 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.031 1.663 4.034 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.293 0.211 6.131 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.077 1.162 5.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.571 -1.019 8.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.437 -0.163 7.265 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.172 -1.260 8.660 1.00 0.00 H new ATOM 837 N ARG A 48 4.910 5.255 4.204 1.00 0.00 N ATOM 838 CA ARG A 48 5.589 6.221 5.055 1.00 0.00 C ATOM 839 C ARG A 48 4.559 7.130 5.727 1.00 0.00 C ATOM 840 O ARG A 48 4.684 7.431 6.914 1.00 0.00 O ATOM 841 CB ARG A 48 6.584 7.035 4.224 1.00 0.00 C ATOM 842 CG ARG A 48 7.754 6.138 3.803 1.00 0.00 C ATOM 843 CD ARG A 48 8.819 6.973 3.088 1.00 0.00 C ATOM 844 NE ARG A 48 9.569 7.807 4.038 1.00 0.00 N ATOM 845 CZ ARG A 48 10.560 7.331 4.820 1.00 0.00 C ATOM 846 NH1 ARG A 48 10.885 6.031 4.784 1.00 0.00 N ATOM 847 NH2 ARG A 48 11.221 8.162 5.636 1.00 0.00 N ATOM 0 H ARG A 48 5.168 5.307 3.219 1.00 0.00 H new ATOM 0 HA ARG A 48 6.144 5.698 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.089 7.443 3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.951 7.882 4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.186 5.654 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.398 5.346 3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.506 6.313 2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.345 7.607 2.339 1.00 0.00 H new ATOM 0 HE ARG A 48 9.328 8.796 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.382 5.397 4.163 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.635 5.676 5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.975 9.151 5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.971 7.806 6.229 1.00 0.00 H new ATOM 861 N THR A 49 3.538 7.558 4.973 1.00 0.00 N ATOM 862 CA THR A 49 2.483 8.401 5.514 1.00 0.00 C ATOM 863 C THR A 49 1.801 7.682 6.679 1.00 0.00 C ATOM 864 O THR A 49 1.584 8.272 7.730 1.00 0.00 O ATOM 865 CB THR A 49 1.467 8.731 4.412 1.00 0.00 C ATOM 866 OG1 THR A 49 2.146 9.202 3.268 1.00 0.00 O ATOM 867 CG2 THR A 49 0.500 9.809 4.903 1.00 0.00 C ATOM 0 H THR A 49 3.427 7.329 3.985 1.00 0.00 H new ATOM 0 HA THR A 49 2.911 9.334 5.881 1.00 0.00 H new ATOM 0 HB THR A 49 0.908 7.829 4.162 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.569 8.449 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.219 10.039 4.116 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.030 9.448 5.784 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.058 10.710 5.159 1.00 0.00 H new ATOM 875 N MET A 50 1.468 6.401 6.486 1.00 0.00 N ATOM 876 CA MET A 50 0.812 5.608 7.514 1.00 0.00 C ATOM 877 C MET A 50 1.720 5.486 8.740 1.00 0.00 C ATOM 878 O MET A 50 1.262 5.645 9.869 1.00 0.00 O ATOM 879 CB MET A 50 0.467 4.226 6.935 1.00 0.00 C ATOM 880 CG MET A 50 -0.610 3.543 7.785 1.00 0.00 C ATOM 881 SD MET A 50 0.023 2.719 9.269 1.00 0.00 S ATOM 882 CE MET A 50 -1.553 2.244 10.021 1.00 0.00 C ATOM 0 H MET A 50 1.647 5.895 5.619 1.00 0.00 H new ATOM 0 HA MET A 50 -0.110 6.095 7.831 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.116 4.332 5.909 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.362 3.605 6.903 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.347 4.288 8.084 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.130 2.809 7.170 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.366 1.718 10.957 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.145 3.137 10.219 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.099 1.590 9.340 1.00 0.00 H new ATOM 892 N LYS A 51 3.012 5.203 8.513 1.00 0.00 N ATOM 893 CA LYS A 51 3.976 5.042 9.593 1.00 0.00 C ATOM 894 C LYS A 51 4.015 6.292 10.477 1.00 0.00 C ATOM 895 O LYS A 51 3.936 6.181 11.698 1.00 0.00 O ATOM 896 CB LYS A 51 5.365 4.760 9.007 1.00 0.00 C ATOM 897 CG LYS A 51 5.391 3.369 8.356 1.00 0.00 C ATOM 898 CD LYS A 51 6.411 2.472 9.068 1.00 0.00 C ATOM 899 CE LYS A 51 7.835 2.901 8.697 1.00 0.00 C ATOM 900 NZ LYS A 51 8.828 1.976 9.273 1.00 0.00 N ATOM 0 H LYS A 51 3.408 5.082 7.581 1.00 0.00 H new ATOM 0 HA LYS A 51 3.670 4.199 10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.618 5.521 8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.118 4.816 9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.400 2.917 8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.648 3.458 7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.273 2.536 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.251 1.431 8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.941 2.926 7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.021 3.912 9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.756 2.148 8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.893 2.132 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.536 0.995 9.089 1.00 0.00 H new ATOM 914 N LYS A 52 4.142 7.481 9.866 1.00 0.00 N ATOM 915 CA LYS A 52 4.211 8.725 10.629 1.00 0.00 C ATOM 916 C LYS A 52 2.816 9.163 11.101 1.00 0.00 C ATOM 917 O LYS A 52 2.709 10.109 11.876 1.00 0.00 O ATOM 918 CB LYS A 52 4.883 9.823 9.784 1.00 0.00 C ATOM 919 CG LYS A 52 3.979 10.257 8.614 1.00 0.00 C ATOM 920 CD LYS A 52 4.055 11.779 8.425 1.00 0.00 C ATOM 921 CE LYS A 52 3.240 12.499 9.513 1.00 0.00 C ATOM 922 NZ LYS A 52 1.789 12.340 9.297 1.00 0.00 N ATOM 0 H LYS A 52 4.198 7.601 8.855 1.00 0.00 H new ATOM 0 HA LYS A 52 4.816 8.554 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.106 10.684 10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.833 9.457 9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.289 9.753 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.949 9.958 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.094 12.105 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.675 12.048 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.509 12.103 10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.494 13.559 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.296 12.376 10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.443 13.108 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.604 11.424 8.840 1.00 0.00 H new ATOM 936 N LEU A 53 1.761 8.477 10.624 1.00 0.00 N ATOM 937 CA LEU A 53 0.381 8.796 10.975 1.00 0.00 C ATOM 938 C LEU A 53 0.028 10.195 10.457 1.00 0.00 C ATOM 939 O LEU A 53 0.034 10.338 9.213 1.00 0.00 O ATOM 940 CB LEU A 53 0.185 8.676 12.499 1.00 0.00 C ATOM 941 CG LEU A 53 -1.313 8.653 12.840 1.00 0.00 C ATOM 942 CD1 LEU A 53 -1.880 7.246 12.618 1.00 0.00 C ATOM 943 CD2 LEU A 53 -1.505 9.049 14.306 1.00 0.00 C ATOM 944 OXT LEU A 53 0.079 11.137 11.278 1.00 0.00 O ATOM 0 H LEU A 53 1.850 7.687 9.985 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.297 8.086 10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.663 7.767 12.864 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.667 9.514 13.002 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.837 9.357 12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.942 7.239 12.862 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.746 6.960 11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.356 6.537 13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.567 9.034 14.551 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.975 8.344 14.946 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.110 10.052 14.467 1.00 0.00 H new TER 956 LEU A 53