USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 456 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 NoAdj-H: X 154 HIS HD1 : X 154 HIS ND1 : X 1 ZNZN :(H bumps) USER MOD Single : X 118 HIS :FLIP no HE2:sc= -2.64 F(o=-3.9!,f=-2.6) USER MOD Single : X 142 GLN : amide:sc= 0.725 K(o=0.73,f=-6.9!) USER MOD Single : X 148 ASN : amide:sc= -0.29 K(o=-0.29,f=-7.2!) USER MOD Single : X 150 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0544) USER MOD Single : X 152 THR OG1 : rot -170:sc= 0 USER MOD Single : X 153 CYS SG : rot 78:sc= 0.181 USER MOD Single : X 155 SER OG : rot 180:sc= -0.0114 USER MOD Single : X 159 SER OG : rot 95:sc= 0.751 USER MOD Single : X 162 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 108 8.509 -15.835 -7.484 1.00 0.00 N ATOM 2 CA PRO X 108 8.569 -17.314 -7.660 1.00 0.00 C ATOM 3 C PRO X 108 9.941 -17.763 -8.179 1.00 0.00 C ATOM 4 O PRO X 108 10.890 -16.994 -8.119 1.00 0.00 O ATOM 5 CB PRO X 108 7.457 -17.657 -8.646 1.00 0.00 C ATOM 6 CG PRO X 108 6.436 -16.556 -8.335 1.00 0.00 C ATOM 7 CD PRO X 108 7.310 -15.300 -8.163 1.00 0.00 C ATOM 0 HA PRO X 108 8.432 -17.833 -6.712 1.00 0.00 H new ATOM 0 HB2 PRO X 108 7.799 -17.622 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO X 108 7.051 -18.655 -8.478 1.00 0.00 H new ATOM 0 HG2 PRO X 108 5.715 -16.436 -9.143 1.00 0.00 H new ATOM 0 HG3 PRO X 108 5.868 -16.778 -7.431 1.00 0.00 H new ATOM 0 HD2 PRO X 108 7.556 -14.843 -9.121 1.00 0.00 H new ATOM 0 HD3 PRO X 108 6.811 -14.537 -7.565 1.00 0.00 H new ATOM 15 N ARG X 109 10.043 -18.989 -8.693 1.00 0.00 N ATOM 16 CA ARG X 109 11.329 -19.525 -9.192 1.00 0.00 C ATOM 17 C ARG X 109 12.020 -18.679 -10.264 1.00 0.00 C ATOM 18 O ARG X 109 13.180 -18.336 -10.119 1.00 0.00 O ATOM 19 CB ARG X 109 11.161 -20.950 -9.751 1.00 0.00 C ATOM 20 CG ARG X 109 12.480 -21.504 -10.327 1.00 0.00 C ATOM 21 CD ARG X 109 12.358 -22.884 -10.962 1.00 0.00 C ATOM 22 NE ARG X 109 13.682 -23.320 -11.417 1.00 0.00 N ATOM 23 CZ ARG X 109 14.246 -22.920 -12.547 1.00 0.00 C ATOM 24 NH1 ARG X 109 13.621 -22.100 -13.341 1.00 0.00 N ATOM 25 NH2 ARG X 109 15.438 -23.333 -12.872 1.00 0.00 N ATOM 0 H ARG X 109 9.258 -19.635 -8.779 1.00 0.00 H new ATOM 0 HA ARG X 109 11.969 -19.512 -8.310 1.00 0.00 H new ATOM 0 HB2 ARG X 109 10.805 -21.610 -8.960 1.00 0.00 H new ATOM 0 HB3 ARG X 109 10.399 -20.946 -10.530 1.00 0.00 H new ATOM 0 HG2 ARG X 109 12.858 -20.806 -11.074 1.00 0.00 H new ATOM 0 HG3 ARG X 109 13.221 -21.549 -9.529 1.00 0.00 H new ATOM 0 HD2 ARG X 109 11.955 -23.595 -10.241 1.00 0.00 H new ATOM 0 HD3 ARG X 109 11.663 -22.852 -11.801 1.00 0.00 H new ATOM 0 HE ARG X 109 14.200 -23.971 -10.827 1.00 0.00 H new ATOM 0 HH11 ARG X 109 12.691 -21.761 -13.095 1.00 0.00 H new ATOM 0 HH12 ARG X 109 14.061 -21.796 -14.209 1.00 0.00 H new ATOM 0 HH21 ARG X 109 15.943 -23.969 -12.255 1.00 0.00 H new ATOM 0 HH22 ARG X 109 15.866 -23.021 -13.744 1.00 0.00 H new ATOM 39 N VAL X 110 11.312 -18.384 -11.347 1.00 0.00 N ATOM 40 CA VAL X 110 11.885 -17.602 -12.456 1.00 0.00 C ATOM 41 C VAL X 110 12.478 -16.272 -11.996 1.00 0.00 C ATOM 42 O VAL X 110 13.560 -15.891 -12.425 1.00 0.00 O ATOM 43 CB VAL X 110 10.873 -17.384 -13.616 1.00 0.00 C ATOM 44 CG1 VAL X 110 10.608 -18.704 -14.314 1.00 0.00 C ATOM 45 CG2 VAL X 110 9.534 -16.818 -13.113 1.00 0.00 C ATOM 0 H VAL X 110 10.343 -18.669 -11.489 1.00 0.00 H new ATOM 0 HA VAL X 110 12.705 -18.206 -12.844 1.00 0.00 H new ATOM 0 HB VAL X 110 11.315 -16.663 -14.303 1.00 0.00 H new ATOM 0 HG11 VAL X 110 9.898 -18.550 -15.127 1.00 0.00 H new ATOM 0 HG12 VAL X 110 11.542 -19.096 -14.717 1.00 0.00 H new ATOM 0 HG13 VAL X 110 10.193 -19.416 -13.601 1.00 0.00 H new ATOM 0 HG21 VAL X 110 8.857 -16.681 -13.956 1.00 0.00 H new ATOM 0 HG22 VAL X 110 9.090 -17.513 -12.400 1.00 0.00 H new ATOM 0 HG23 VAL X 110 9.705 -15.858 -12.626 1.00 0.00 H new ATOM 55 N LEU X 111 11.774 -15.576 -11.119 1.00 0.00 N ATOM 56 CA LEU X 111 12.258 -14.309 -10.586 1.00 0.00 C ATOM 57 C LEU X 111 13.621 -14.535 -9.912 1.00 0.00 C ATOM 58 O LEU X 111 14.594 -13.867 -10.214 1.00 0.00 O ATOM 59 CB LEU X 111 11.229 -13.737 -9.599 1.00 0.00 C ATOM 60 CG LEU X 111 11.663 -12.531 -8.761 1.00 0.00 C ATOM 61 CD1 LEU X 111 12.041 -11.371 -9.650 1.00 0.00 C ATOM 62 CD2 LEU X 111 10.524 -12.123 -7.857 1.00 0.00 C ATOM 0 H LEU X 111 10.864 -15.865 -10.759 1.00 0.00 H new ATOM 0 HA LEU X 111 12.388 -13.585 -11.390 1.00 0.00 H new ATOM 0 HB2 LEU X 111 10.340 -13.455 -10.163 1.00 0.00 H new ATOM 0 HB3 LEU X 111 10.934 -14.535 -8.917 1.00 0.00 H new ATOM 0 HG LEU X 111 12.533 -12.809 -8.167 1.00 0.00 H new ATOM 0 HD11 LEU X 111 12.346 -10.525 -9.034 1.00 0.00 H new ATOM 0 HD12 LEU X 111 12.866 -11.664 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU X 111 11.184 -11.085 -10.260 1.00 0.00 H new ATOM 0 HD21 LEU X 111 10.825 -11.265 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU X 111 9.657 -11.857 -8.462 1.00 0.00 H new ATOM 0 HD23 LEU X 111 10.266 -12.953 -7.199 1.00 0.00 H new ATOM 74 N ALA X 112 13.667 -15.499 -9.001 1.00 0.00 N ATOM 75 CA ALA X 112 14.890 -15.822 -8.267 1.00 0.00 C ATOM 76 C ALA X 112 16.110 -16.138 -9.136 1.00 0.00 C ATOM 77 O ALA X 112 17.169 -15.563 -8.936 1.00 0.00 O ATOM 78 CB ALA X 112 14.620 -16.971 -7.303 1.00 0.00 C ATOM 0 H ALA X 112 12.865 -16.077 -8.749 1.00 0.00 H new ATOM 0 HA ALA X 112 15.156 -14.912 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA X 112 15.533 -17.210 -6.757 1.00 0.00 H new ATOM 0 HB2 ALA X 112 13.841 -16.679 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA X 112 14.292 -17.847 -7.863 1.00 0.00 H new ATOM 84 N GLU X 113 15.974 -17.060 -10.082 1.00 0.00 N ATOM 85 CA GLU X 113 17.103 -17.430 -10.952 1.00 0.00 C ATOM 86 C GLU X 113 17.717 -16.249 -11.723 1.00 0.00 C ATOM 87 O GLU X 113 18.922 -16.215 -11.950 1.00 0.00 O ATOM 88 CB GLU X 113 16.752 -18.598 -11.886 1.00 0.00 C ATOM 89 CG GLU X 113 15.600 -18.340 -12.833 1.00 0.00 C ATOM 90 CD GLU X 113 15.332 -19.508 -13.775 1.00 0.00 C ATOM 91 OE1 GLU X 113 16.129 -20.472 -13.775 1.00 0.00 O ATOM 92 OE2 GLU X 113 14.286 -19.462 -14.456 1.00 0.00 O ATOM 0 H GLU X 113 15.108 -17.564 -10.271 1.00 0.00 H new ATOM 0 HA GLU X 113 17.885 -17.769 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.635 -18.851 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU X 113 16.513 -19.470 -11.277 1.00 0.00 H new ATOM 0 HG2 GLU X 113 14.700 -18.133 -12.254 1.00 0.00 H new ATOM 0 HG3 GLU X 113 15.813 -17.447 -13.421 1.00 0.00 H new ATOM 99 N ARG X 114 16.895 -15.300 -12.157 1.00 0.00 N ATOM 100 CA ARG X 114 17.399 -14.125 -12.889 1.00 0.00 C ATOM 101 C ARG X 114 17.870 -13.010 -11.959 1.00 0.00 C ATOM 102 O ARG X 114 18.484 -12.047 -12.397 1.00 0.00 O ATOM 103 CB ARG X 114 16.326 -13.607 -13.851 1.00 0.00 C ATOM 104 CG ARG X 114 16.619 -13.879 -15.341 1.00 0.00 C ATOM 105 CD ARG X 114 16.517 -15.364 -15.741 1.00 0.00 C ATOM 106 NE ARG X 114 17.629 -16.160 -15.216 1.00 0.00 N ATOM 107 CZ ARG X 114 17.765 -17.459 -15.397 1.00 0.00 C ATOM 108 NH1 ARG X 114 16.883 -18.124 -16.090 1.00 0.00 N ATOM 109 NH2 ARG X 114 18.785 -18.086 -14.878 1.00 0.00 N ATOM 0 H ARG X 114 15.884 -15.313 -12.021 1.00 0.00 H new ATOM 0 HA ARG X 114 18.272 -14.447 -13.457 1.00 0.00 H new ATOM 0 HB2 ARG X 114 15.372 -14.065 -13.592 1.00 0.00 H new ATOM 0 HB3 ARG X 114 16.214 -12.533 -13.706 1.00 0.00 H new ATOM 0 HG2 ARG X 114 15.922 -13.301 -15.949 1.00 0.00 H new ATOM 0 HG3 ARG X 114 17.621 -13.519 -15.575 1.00 0.00 H new ATOM 0 HD2 ARG X 114 15.576 -15.773 -15.374 1.00 0.00 H new ATOM 0 HD3 ARG X 114 16.497 -15.444 -16.828 1.00 0.00 H new ATOM 0 HE ARG X 114 18.346 -15.677 -14.674 1.00 0.00 H new ATOM 0 HH11 ARG X 114 16.082 -17.639 -16.496 1.00 0.00 H new ATOM 0 HH12 ARG X 114 16.994 -19.129 -16.226 1.00 0.00 H new ATOM 0 HH21 ARG X 114 19.476 -17.571 -14.333 1.00 0.00 H new ATOM 0 HH22 ARG X 114 18.891 -19.091 -15.018 1.00 0.00 H new ATOM 123 N GLY X 115 17.573 -13.164 -10.681 1.00 0.00 N ATOM 124 CA GLY X 115 17.940 -12.186 -9.670 1.00 0.00 C ATOM 125 C GLY X 115 16.650 -11.748 -9.013 1.00 0.00 C ATOM 126 O GLY X 115 15.906 -10.963 -9.582 1.00 0.00 O ATOM 0 H GLY X 115 17.070 -13.972 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY X 115 18.621 -12.621 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY X 115 18.455 -11.337 -10.120 1.00 0.00 H new ATOM 130 N GLU X 116 16.363 -12.256 -7.823 1.00 0.00 N ATOM 131 CA GLU X 116 15.117 -11.892 -7.151 1.00 0.00 C ATOM 132 C GLU X 116 14.902 -10.410 -6.846 1.00 0.00 C ATOM 133 O GLU X 116 13.798 -9.910 -7.048 1.00 0.00 O ATOM 134 CB GLU X 116 14.867 -12.747 -5.898 1.00 0.00 C ATOM 135 CG GLU X 116 15.896 -12.630 -4.784 1.00 0.00 C ATOM 136 CD GLU X 116 15.556 -13.532 -3.597 1.00 0.00 C ATOM 137 OE1 GLU X 116 14.632 -14.374 -3.738 1.00 0.00 O ATOM 138 OE2 GLU X 116 16.117 -13.273 -2.513 1.00 0.00 O ATOM 0 H GLU X 116 16.958 -12.907 -7.310 1.00 0.00 H new ATOM 0 HA GLU X 116 14.367 -12.117 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU X 116 13.891 -12.481 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU X 116 14.811 -13.792 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU X 116 16.881 -12.894 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU X 116 15.952 -11.594 -4.449 1.00 0.00 H new ATOM 145 N GLY X 117 15.921 -9.702 -6.364 1.00 0.00 N ATOM 146 CA GLY X 117 15.726 -8.293 -6.048 1.00 0.00 C ATOM 147 C GLY X 117 14.685 -8.287 -4.950 1.00 0.00 C ATOM 148 O GLY X 117 14.770 -9.102 -4.026 1.00 0.00 O ATOM 0 H GLY X 117 16.858 -10.066 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY X 117 16.655 -7.829 -5.716 1.00 0.00 H new ATOM 0 HA3 GLY X 117 15.385 -7.735 -6.920 1.00 0.00 H new ATOM 152 N HIS X 118 13.708 -7.390 -5.035 1.00 0.00 N ATOM 153 CA HIS X 118 12.621 -7.356 -4.055 1.00 0.00 C ATOM 154 C HIS X 118 11.856 -8.647 -4.409 1.00 0.00 C ATOM 155 O HIS X 118 11.127 -8.719 -5.396 1.00 0.00 O ATOM 156 CB HIS X 118 11.801 -6.077 -4.215 1.00 0.00 C ATOM 157 CG HIS X 118 11.342 -5.478 -2.920 1.00 0.00 C ATOM 158 ND1 HIS X 118 10.075 -5.312 -2.426 1.00 0.00 N flip ATOM 159 CD2 HIS X 118 12.219 -4.930 -1.986 1.00 0.00 C flip ATOM 160 CE1 HIS X 118 10.157 -4.670 -1.230 1.00 0.00 C flip ATOM 161 NE2 HIS X 118 11.438 -4.432 -0.990 1.00 0.00 N flip ATOM 0 H HIS X 118 13.644 -6.681 -5.765 1.00 0.00 H new ATOM 0 HA HIS X 118 12.924 -7.332 -3.008 1.00 0.00 H new ATOM 0 HB2 HIS X 118 12.398 -5.340 -4.752 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.929 -6.292 -4.833 1.00 0.00 H new ATOM 0 HD1 HIS X 118 9.214 -5.619 -2.879 1.00 0.00 H new ATOM 0 HD2 HIS X 118 13.297 -4.906 -2.042 1.00 0.00 H new ATOM 0 HE1 HIS X 118 9.328 -4.403 -0.591 1.00 0.00 H new ATOM 169 N ARG X 119 12.108 -9.681 -3.624 1.00 0.00 N ATOM 170 CA ARG X 119 11.557 -11.019 -3.849 1.00 0.00 C ATOM 171 C ARG X 119 10.064 -11.230 -3.750 1.00 0.00 C ATOM 172 O ARG X 119 9.521 -12.012 -4.529 1.00 0.00 O ATOM 173 CB ARG X 119 12.340 -12.023 -3.010 1.00 0.00 C ATOM 174 CG ARG X 119 12.185 -11.873 -1.511 1.00 0.00 C ATOM 175 CD ARG X 119 13.207 -12.728 -0.808 1.00 0.00 C ATOM 176 NE ARG X 119 13.090 -14.157 -1.051 1.00 0.00 N ATOM 177 CZ ARG X 119 13.984 -15.031 -0.627 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.022 -14.630 0.054 1.00 0.00 N ATOM 179 NH2 ARG X 119 13.839 -16.302 -0.883 1.00 0.00 N ATOM 0 H ARG X 119 12.707 -9.621 -2.801 1.00 0.00 H new ATOM 0 HA ARG X 119 11.694 -11.180 -4.918 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.029 -13.029 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.397 -11.935 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.311 -10.829 -1.225 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.180 -12.167 -1.208 1.00 0.00 H new ATOM 0 HD2 ARG X 119 14.201 -12.404 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.130 -12.550 0.265 1.00 0.00 H new ATOM 0 HE ARG X 119 12.282 -14.499 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG X 119 15.145 -13.639 0.260 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.711 -15.308 0.380 1.00 0.00 H new ATOM 0 HH21 ARG X 119 13.031 -16.626 -1.414 1.00 0.00 H new ATOM 0 HH22 ARG X 119 14.534 -16.971 -0.552 1.00 0.00 H new ATOM 193 N PHE X 120 9.401 -10.580 -2.801 1.00 0.00 N ATOM 194 CA PHE X 120 7.946 -10.727 -2.657 1.00 0.00 C ATOM 195 C PHE X 120 7.489 -12.185 -2.501 1.00 0.00 C ATOM 196 O PHE X 120 6.542 -12.619 -3.135 1.00 0.00 O ATOM 197 CB PHE X 120 7.201 -10.087 -3.829 1.00 0.00 C ATOM 198 CG PHE X 120 7.269 -8.584 -3.871 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.480 -7.817 -3.026 1.00 0.00 C ATOM 200 CD2 PHE X 120 8.064 -7.937 -4.795 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.498 -6.446 -3.096 1.00 0.00 C ATOM 202 CE2 PHE X 120 8.078 -6.559 -4.867 1.00 0.00 C ATOM 203 CZ PHE X 120 7.289 -5.816 -4.020 1.00 0.00 C ATOM 0 H PHE X 120 9.835 -9.952 -2.124 1.00 0.00 H new ATOM 0 HA PHE X 120 7.697 -10.205 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.608 -10.482 -4.760 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.155 -10.389 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE X 120 5.843 -8.305 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.681 -8.514 -5.468 1.00 0.00 H new ATOM 0 HE1 PHE X 120 5.888 -5.863 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.709 -6.063 -5.589 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.293 -4.738 -4.083 1.00 0.00 H new ATOM 213 N VAL X 121 8.199 -12.967 -1.719 1.00 0.00 N ATOM 214 CA VAL X 121 7.836 -14.374 -1.547 1.00 0.00 C ATOM 215 C VAL X 121 6.502 -14.567 -0.839 1.00 0.00 C ATOM 216 O VAL X 121 6.347 -14.318 0.352 1.00 0.00 O ATOM 217 CB VAL X 121 8.952 -15.245 -0.904 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.064 -15.458 -1.911 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.543 -14.611 0.344 1.00 0.00 C ATOM 0 H VAL X 121 9.021 -12.668 -1.195 1.00 0.00 H new ATOM 0 HA VAL X 121 7.716 -14.742 -2.566 1.00 0.00 H new ATOM 0 HB VAL X 121 8.494 -16.191 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.848 -16.068 -1.463 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.667 -15.965 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.478 -14.494 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.317 -15.262 0.751 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.978 -13.645 0.090 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.758 -14.471 1.088 1.00 0.00 H new ATOM 229 N GLU X 122 5.536 -15.001 -1.628 1.00 0.00 N ATOM 230 CA GLU X 122 4.180 -15.249 -1.193 1.00 0.00 C ATOM 231 C GLU X 122 4.034 -16.060 0.102 1.00 0.00 C ATOM 232 O GLU X 122 4.641 -17.123 0.258 1.00 0.00 O ATOM 233 CB GLU X 122 3.519 -16.118 -2.278 1.00 0.00 C ATOM 234 CG GLU X 122 3.379 -15.473 -3.636 1.00 0.00 C ATOM 235 CD GLU X 122 2.881 -16.452 -4.687 1.00 0.00 C ATOM 236 OE1 GLU X 122 1.803 -17.049 -4.474 1.00 0.00 O ATOM 237 OE2 GLU X 122 3.660 -16.677 -5.651 1.00 0.00 O ATOM 0 H GLU X 122 5.681 -15.195 -2.619 1.00 0.00 H new ATOM 0 HA GLU X 122 3.739 -14.267 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU X 122 4.100 -17.033 -2.389 1.00 0.00 H new ATOM 0 HB3 GLU X 122 2.528 -16.410 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU X 122 2.688 -14.633 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU X 122 4.343 -15.069 -3.946 1.00 0.00 H new ATOM 244 N LEU X 123 3.222 -15.571 1.028 1.00 0.00 N ATOM 245 CA LEU X 123 2.992 -16.286 2.282 1.00 0.00 C ATOM 246 C LEU X 123 2.084 -17.497 2.046 1.00 0.00 C ATOM 247 O LEU X 123 1.346 -17.551 1.073 1.00 0.00 O ATOM 248 CB LEU X 123 2.341 -15.370 3.321 1.00 0.00 C ATOM 249 CG LEU X 123 3.179 -14.216 3.871 1.00 0.00 C ATOM 250 CD1 LEU X 123 2.374 -13.564 4.959 1.00 0.00 C ATOM 251 CD2 LEU X 123 4.486 -14.702 4.442 1.00 0.00 C ATOM 0 H LEU X 123 2.714 -14.691 0.940 1.00 0.00 H new ATOM 0 HA LEU X 123 3.960 -16.620 2.656 1.00 0.00 H new ATOM 0 HB2 LEU X 123 1.438 -14.949 2.879 1.00 0.00 H new ATOM 0 HB3 LEU X 123 2.026 -15.987 4.162 1.00 0.00 H new ATOM 0 HG LEU X 123 3.414 -13.519 3.066 1.00 0.00 H new ATOM 0 HD11 LEU X 123 2.938 -12.732 5.380 1.00 0.00 H new ATOM 0 HD12 LEU X 123 1.436 -13.194 4.546 1.00 0.00 H new ATOM 0 HD13 LEU X 123 2.163 -14.292 5.742 1.00 0.00 H new ATOM 0 HD21 LEU X 123 5.054 -13.854 4.823 1.00 0.00 H new ATOM 0 HD22 LEU X 123 4.290 -15.402 5.254 1.00 0.00 H new ATOM 0 HD23 LEU X 123 5.060 -15.202 3.662 1.00 0.00 H new ATOM 263 N ALA X 124 2.119 -18.452 2.966 1.00 0.00 N ATOM 264 CA ALA X 124 1.296 -19.672 2.889 1.00 0.00 C ATOM 265 C ALA X 124 -0.208 -19.464 3.191 1.00 0.00 C ATOM 266 O ALA X 124 -0.880 -20.375 3.674 1.00 0.00 O ATOM 267 CB ALA X 124 1.876 -20.719 3.836 1.00 0.00 C ATOM 0 H ALA X 124 2.717 -18.411 3.792 1.00 0.00 H new ATOM 0 HA ALA X 124 1.336 -20.002 1.851 1.00 0.00 H new ATOM 0 HB1 ALA X 124 1.274 -21.627 3.787 1.00 0.00 H new ATOM 0 HB2 ALA X 124 2.901 -20.947 3.543 1.00 0.00 H new ATOM 0 HB3 ALA X 124 1.867 -20.332 4.855 1.00 0.00 H new ATOM 273 N LEU X 125 -0.719 -18.273 2.918 1.00 0.00 N ATOM 274 CA LEU X 125 -2.125 -17.907 3.164 1.00 0.00 C ATOM 275 C LEU X 125 -3.162 -18.559 2.237 1.00 0.00 C ATOM 276 O LEU X 125 -4.004 -17.883 1.650 1.00 0.00 O ATOM 277 CB LEU X 125 -2.275 -16.388 3.122 1.00 0.00 C ATOM 278 CG LEU X 125 -1.448 -15.641 4.169 1.00 0.00 C ATOM 279 CD1 LEU X 125 -1.750 -14.195 4.055 1.00 0.00 C ATOM 280 CD2 LEU X 125 -1.753 -16.104 5.573 1.00 0.00 C ATOM 0 H LEU X 125 -0.169 -17.515 2.513 1.00 0.00 H new ATOM 0 HA LEU X 125 -2.349 -18.306 4.153 1.00 0.00 H new ATOM 0 HB2 LEU X 125 -1.989 -16.034 2.131 1.00 0.00 H new ATOM 0 HB3 LEU X 125 -3.326 -16.135 3.260 1.00 0.00 H new ATOM 0 HG LEU X 125 -0.393 -15.842 3.981 1.00 0.00 H new ATOM 0 HD11 LEU X 125 -1.170 -13.643 4.794 1.00 0.00 H new ATOM 0 HD12 LEU X 125 -1.490 -13.847 3.055 1.00 0.00 H new ATOM 0 HD13 LEU X 125 -2.813 -14.030 4.231 1.00 0.00 H new ATOM 0 HD21 LEU X 125 -1.142 -15.545 6.281 1.00 0.00 H new ATOM 0 HD22 LEU X 125 -2.807 -15.935 5.791 1.00 0.00 H new ATOM 0 HD23 LEU X 125 -1.530 -17.167 5.662 1.00 0.00 H new ATOM 292 N ARG X 126 -3.085 -19.874 2.087 1.00 0.00 N ATOM 293 CA ARG X 126 -4.027 -20.622 1.242 1.00 0.00 C ATOM 294 C ARG X 126 -5.426 -20.333 1.787 1.00 0.00 C ATOM 295 O ARG X 126 -6.388 -20.170 1.031 1.00 0.00 O ATOM 296 CB ARG X 126 -3.655 -22.122 1.279 1.00 0.00 C ATOM 297 CG ARG X 126 -4.570 -23.106 0.507 1.00 0.00 C ATOM 298 CD ARG X 126 -5.921 -23.381 1.180 1.00 0.00 C ATOM 299 NE ARG X 126 -6.709 -24.351 0.418 1.00 0.00 N ATOM 300 CZ ARG X 126 -7.916 -24.758 0.767 1.00 0.00 C ATOM 301 NH1 ARG X 126 -8.482 -24.286 1.843 1.00 0.00 N ATOM 302 NH2 ARG X 126 -8.551 -25.637 0.038 1.00 0.00 N ATOM 0 H ARG X 126 -2.378 -20.454 2.539 1.00 0.00 H new ATOM 0 HA ARG X 126 -3.990 -20.323 0.194 1.00 0.00 H new ATOM 0 HB2 ARG X 126 -2.643 -22.227 0.888 1.00 0.00 H new ATOM 0 HB3 ARG X 126 -3.628 -22.436 2.322 1.00 0.00 H new ATOM 0 HG2 ARG X 126 -4.750 -22.707 -0.491 1.00 0.00 H new ATOM 0 HG3 ARG X 126 -4.042 -24.051 0.382 1.00 0.00 H new ATOM 0 HD2 ARG X 126 -5.756 -23.757 2.190 1.00 0.00 H new ATOM 0 HD3 ARG X 126 -6.479 -22.449 1.273 1.00 0.00 H new ATOM 0 HE ARG X 126 -6.301 -24.736 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG X 126 -7.992 -23.600 2.418 1.00 0.00 H new ATOM 0 HH12 ARG X 126 -9.414 -24.603 2.110 1.00 0.00 H new ATOM 0 HH21 ARG X 126 -8.115 -26.012 -0.804 1.00 0.00 H new ATOM 0 HH22 ARG X 126 -9.483 -25.949 0.311 1.00 0.00 H new ATOM 316 N GLY X 127 -5.517 -20.258 3.107 1.00 0.00 N ATOM 317 CA GLY X 127 -6.765 -19.960 3.787 1.00 0.00 C ATOM 318 C GLY X 127 -6.456 -19.125 5.016 1.00 0.00 C ATOM 319 O GLY X 127 -5.336 -19.177 5.511 1.00 0.00 O ATOM 0 H GLY X 127 -4.726 -20.402 3.735 1.00 0.00 H new ATOM 0 HA2 GLY X 127 -7.439 -19.420 3.122 1.00 0.00 H new ATOM 0 HA3 GLY X 127 -7.270 -20.883 4.073 1.00 0.00 H new ATOM 323 N GLY X 128 -7.437 -18.384 5.514 1.00 0.00 N ATOM 324 CA GLY X 128 -7.244 -17.556 6.701 1.00 0.00 C ATOM 325 C GLY X 128 -6.732 -16.155 6.400 1.00 0.00 C ATOM 326 O GLY X 128 -6.352 -15.869 5.267 1.00 0.00 O ATOM 0 H GLY X 128 -8.375 -18.338 5.116 1.00 0.00 H new ATOM 0 HA2 GLY X 128 -8.191 -17.479 7.236 1.00 0.00 H new ATOM 0 HA3 GLY X 128 -6.540 -18.054 7.368 1.00 0.00 H new ATOM 330 N PRO X 129 -6.723 -15.255 7.400 1.00 0.00 N ATOM 331 CA PRO X 129 -6.262 -13.873 7.211 1.00 0.00 C ATOM 332 C PRO X 129 -4.753 -13.683 7.197 1.00 0.00 C ATOM 333 O PRO X 129 -3.979 -14.579 7.515 1.00 0.00 O ATOM 334 CB PRO X 129 -6.792 -13.173 8.473 1.00 0.00 C ATOM 335 CG PRO X 129 -6.754 -14.244 9.497 1.00 0.00 C ATOM 336 CD PRO X 129 -7.212 -15.475 8.775 1.00 0.00 C ATOM 0 HA PRO X 129 -6.605 -13.503 6.245 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -6.168 -12.325 8.755 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -7.802 -12.791 8.327 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -5.749 -14.372 9.900 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -7.407 -14.012 10.338 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -6.791 -16.380 9.213 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -8.296 -15.581 8.806 1.00 0.00 H new ATOM 344 N GLY X 130 -4.361 -12.465 6.871 1.00 0.00 N ATOM 345 CA GLY X 130 -2.974 -12.063 6.835 1.00 0.00 C ATOM 346 C GLY X 130 -3.176 -10.578 6.717 1.00 0.00 C ATOM 347 O GLY X 130 -4.305 -10.187 6.445 1.00 0.00 O ATOM 0 H GLY X 130 -5.010 -11.719 6.621 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.428 -12.346 7.735 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.433 -12.485 5.988 1.00 0.00 H new ATOM 351 N TRP X 131 -2.165 -9.754 6.926 1.00 0.00 N ATOM 352 CA TRP X 131 -2.343 -8.303 6.854 1.00 0.00 C ATOM 353 C TRP X 131 -1.305 -7.603 5.967 1.00 0.00 C ATOM 354 O TRP X 131 -0.110 -7.838 6.116 1.00 0.00 O ATOM 355 CB TRP X 131 -2.318 -7.788 8.297 1.00 0.00 C ATOM 356 CG TRP X 131 -3.523 -8.349 9.046 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.618 -9.544 9.707 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.815 -7.730 9.189 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.876 -9.716 10.217 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.633 -8.620 9.920 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.359 -6.519 8.769 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.962 -8.331 10.221 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.677 -6.226 9.072 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.468 -7.134 9.789 1.00 0.00 C ATOM 0 H TRP X 131 -1.216 -10.056 7.146 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.293 -8.071 6.373 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.394 -8.092 8.789 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.342 -6.698 8.308 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.811 -10.254 9.812 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -5.197 -10.533 10.736 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.758 -5.815 8.212 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.573 -9.027 10.776 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -7.101 -5.286 8.752 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.496 -6.885 10.005 1.00 0.00 H new ATOM 375 N CYS X 132 -1.772 -6.765 5.046 1.00 0.00 N ATOM 376 CA CYS X 132 -0.899 -6.015 4.140 1.00 0.00 C ATOM 377 C CYS X 132 -0.308 -4.894 4.978 1.00 0.00 C ATOM 378 O CYS X 132 -1.009 -3.929 5.245 1.00 0.00 O ATOM 379 CB CYS X 132 -1.751 -5.440 3.001 1.00 0.00 C ATOM 380 SG CYS X 132 -0.884 -4.409 1.810 1.00 0.00 S ATOM 0 H CYS X 132 -2.766 -6.585 4.904 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.116 -6.632 3.700 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.213 -6.269 2.465 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.559 -4.854 3.439 1.00 0.00 H new ATOM 385 N ASP X 133 0.960 -4.987 5.359 1.00 0.00 N ATOM 386 CA ASP X 133 1.569 -3.947 6.218 1.00 0.00 C ATOM 387 C ASP X 133 1.409 -2.544 5.636 1.00 0.00 C ATOM 388 O ASP X 133 1.239 -1.571 6.364 1.00 0.00 O ATOM 389 CB ASP X 133 3.027 -4.303 6.601 1.00 0.00 C ATOM 390 CG ASP X 133 3.983 -4.397 5.403 1.00 0.00 C ATOM 391 OD1 ASP X 133 3.931 -3.566 4.493 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.814 -5.323 5.446 1.00 0.00 O ATOM 0 H ASP X 133 1.586 -5.750 5.100 1.00 0.00 H new ATOM 0 HA ASP X 133 1.012 -3.929 7.155 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.403 -3.551 7.295 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.030 -5.256 7.131 1.00 0.00 H new ATOM 397 N LEU X 134 1.413 -2.473 4.323 1.00 0.00 N ATOM 398 CA LEU X 134 1.208 -1.247 3.589 1.00 0.00 C ATOM 399 C LEU X 134 -0.187 -0.647 3.844 1.00 0.00 C ATOM 400 O LEU X 134 -0.326 0.535 4.153 1.00 0.00 O ATOM 401 CB LEU X 134 1.381 -1.578 2.113 1.00 0.00 C ATOM 402 CG LEU X 134 0.749 -0.647 1.092 1.00 0.00 C ATOM 403 CD1 LEU X 134 1.290 0.761 1.147 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.023 -1.238 -0.241 1.00 0.00 C ATOM 0 H LEU X 134 1.562 -3.285 3.724 1.00 0.00 H new ATOM 0 HA LEU X 134 1.928 -0.497 3.916 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.450 -1.625 1.905 1.00 0.00 H new ATOM 0 HB3 LEU X 134 0.980 -2.578 1.946 1.00 0.00 H new ATOM 0 HG LEU X 134 -0.317 -0.560 1.303 1.00 0.00 H new ATOM 0 HD11 LEU X 134 0.795 1.371 0.391 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.104 1.184 2.134 1.00 0.00 H new ATOM 0 HD13 LEU X 134 2.363 0.746 0.955 1.00 0.00 H new ATOM 0 HD21 LEU X 134 0.589 -0.606 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.100 -1.310 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU X 134 0.582 -2.233 -0.295 1.00 0.00 H new ATOM 416 N CYS X 135 -1.215 -1.471 3.674 1.00 0.00 N ATOM 417 CA CYS X 135 -2.597 -1.017 3.832 1.00 0.00 C ATOM 418 C CYS X 135 -3.149 -1.043 5.259 1.00 0.00 C ATOM 419 O CYS X 135 -4.016 -0.251 5.635 1.00 0.00 O ATOM 420 CB CYS X 135 -3.499 -1.920 2.972 1.00 0.00 C ATOM 421 SG CYS X 135 -3.229 -1.759 1.231 1.00 0.00 S ATOM 0 H CYS X 135 -1.121 -2.456 3.427 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.594 0.030 3.528 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.336 -2.959 3.260 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.541 -1.688 3.190 1.00 0.00 H new ATOM 426 N GLY X 136 -2.672 -1.998 6.033 1.00 0.00 N ATOM 427 CA GLY X 136 -3.146 -2.191 7.387 1.00 0.00 C ATOM 428 C GLY X 136 -4.433 -2.988 7.278 1.00 0.00 C ATOM 429 O GLY X 136 -5.129 -3.224 8.265 1.00 0.00 O ATOM 0 H GLY X 136 -1.950 -2.657 5.743 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.408 -2.725 7.985 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.322 -1.234 7.878 1.00 0.00 H new ATOM 433 N ARG X 137 -4.759 -3.379 6.047 1.00 0.00 N ATOM 434 CA ARG X 137 -5.968 -4.145 5.744 1.00 0.00 C ATOM 435 C ARG X 137 -5.660 -5.603 5.458 1.00 0.00 C ATOM 436 O ARG X 137 -4.588 -5.946 4.963 1.00 0.00 O ATOM 437 CB ARG X 137 -6.677 -3.570 4.511 1.00 0.00 C ATOM 438 CG ARG X 137 -7.033 -2.081 4.580 1.00 0.00 C ATOM 439 CD ARG X 137 -7.985 -1.762 5.718 1.00 0.00 C ATOM 440 NE ARG X 137 -7.261 -1.556 6.974 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.750 -0.402 7.362 1.00 0.00 C ATOM 442 NH1 ARG X 137 -6.880 0.667 6.624 1.00 0.00 N ATOM 443 NH2 ARG X 137 -6.105 -0.326 8.493 1.00 0.00 N ATOM 0 H ARG X 137 -4.189 -3.172 5.227 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.605 -4.075 6.626 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -6.041 -3.732 3.641 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.594 -4.136 4.345 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -6.120 -1.498 4.700 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -7.485 -1.775 3.636 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.559 -0.868 5.475 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.699 -2.577 5.837 1.00 0.00 H new ATOM 0 HE ARG X 137 -7.143 -2.359 7.592 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -7.381 0.616 5.737 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -6.481 1.553 6.935 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -5.996 -1.157 9.075 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -5.709 0.564 8.795 1.00 0.00 H new ATOM 457 N GLU X 138 -6.615 -6.448 5.778 1.00 0.00 N ATOM 458 CA GLU X 138 -6.520 -7.880 5.572 1.00 0.00 C ATOM 459 C GLU X 138 -6.263 -8.301 4.116 1.00 0.00 C ATOM 460 O GLU X 138 -6.895 -7.815 3.177 1.00 0.00 O ATOM 461 CB GLU X 138 -7.772 -8.580 6.139 1.00 0.00 C ATOM 462 CG GLU X 138 -9.140 -8.150 5.547 1.00 0.00 C ATOM 463 CD GLU X 138 -9.801 -6.963 6.280 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.087 -6.004 6.665 1.00 0.00 O ATOM 465 OE2 GLU X 138 -11.044 -6.995 6.368 1.00 0.00 O ATOM 0 H GLU X 138 -7.498 -6.155 6.197 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.634 -8.204 6.118 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -7.659 -9.654 5.989 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.799 -8.410 7.215 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -9.002 -7.884 4.499 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -9.819 -9.002 5.573 1.00 0.00 H new ATOM 472 N VAL X 139 -5.334 -9.224 3.938 1.00 0.00 N ATOM 473 CA VAL X 139 -5.000 -9.749 2.619 1.00 0.00 C ATOM 474 C VAL X 139 -5.814 -11.010 2.355 1.00 0.00 C ATOM 475 O VAL X 139 -5.601 -12.053 2.958 1.00 0.00 O ATOM 476 CB VAL X 139 -3.480 -10.044 2.440 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.713 -8.769 2.370 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.914 -10.841 3.569 1.00 0.00 C ATOM 0 H VAL X 139 -4.790 -9.631 4.698 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.250 -8.975 1.893 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.389 -10.617 1.517 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.653 -8.989 2.245 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.064 -8.179 1.523 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.860 -8.205 3.291 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.853 -11.018 3.393 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.041 -10.291 4.502 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.435 -11.796 3.637 1.00 0.00 H new ATOM 488 N LEU X 140 -6.779 -10.912 1.457 1.00 0.00 N ATOM 489 CA LEU X 140 -7.600 -12.073 1.134 1.00 0.00 C ATOM 490 C LEU X 140 -6.714 -13.211 0.594 1.00 0.00 C ATOM 491 O LEU X 140 -6.977 -14.390 0.844 1.00 0.00 O ATOM 492 CB LEU X 140 -8.733 -11.701 0.151 1.00 0.00 C ATOM 493 CG LEU X 140 -8.447 -11.134 -1.258 1.00 0.00 C ATOM 494 CD1 LEU X 140 -9.777 -10.827 -1.896 1.00 0.00 C ATOM 495 CD2 LEU X 140 -7.609 -9.859 -1.293 1.00 0.00 C ATOM 0 H LEU X 140 -7.013 -10.061 0.946 1.00 0.00 H new ATOM 0 HA LEU X 140 -8.082 -12.428 2.045 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.334 -12.599 0.011 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.363 -10.972 0.660 1.00 0.00 H new ATOM 0 HG LEU X 140 -7.863 -11.891 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -9.616 -10.423 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -10.367 -11.741 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -10.311 -10.095 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -7.467 -9.545 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -8.122 -9.071 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -6.638 -10.049 -0.835 1.00 0.00 H new ATOM 507 N ARG X 141 -5.678 -12.856 -0.163 1.00 0.00 N ATOM 508 CA ARG X 141 -4.765 -13.851 -0.746 1.00 0.00 C ATOM 509 C ARG X 141 -3.360 -13.881 -0.137 1.00 0.00 C ATOM 510 O ARG X 141 -3.086 -13.243 0.866 1.00 0.00 O ATOM 511 CB ARG X 141 -4.716 -13.671 -2.281 1.00 0.00 C ATOM 512 CG ARG X 141 -6.039 -14.057 -3.013 1.00 0.00 C ATOM 513 CD ARG X 141 -6.321 -15.587 -2.961 1.00 0.00 C ATOM 514 NE ARG X 141 -6.744 -16.010 -1.623 1.00 0.00 N ATOM 515 CZ ARG X 141 -6.751 -17.252 -1.182 1.00 0.00 C ATOM 516 NH1 ARG X 141 -6.372 -18.236 -1.948 1.00 0.00 N ATOM 517 NH2 ARG X 141 -7.131 -17.493 0.039 1.00 0.00 N ATOM 0 H ARG X 141 -5.445 -11.889 -0.390 1.00 0.00 H new ATOM 0 HA ARG X 141 -5.180 -14.827 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -4.479 -12.631 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -3.903 -14.277 -2.681 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -6.872 -13.521 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -5.983 -13.736 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -7.095 -15.840 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -5.423 -16.134 -3.250 1.00 0.00 H new ATOM 0 HE ARG X 141 -7.059 -15.283 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -6.065 -18.050 -2.903 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -6.383 -19.192 -1.593 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -7.420 -16.724 0.644 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -7.140 -18.450 0.391 1.00 0.00 H new ATOM 531 N GLN X 142 -2.485 -14.639 -0.777 1.00 0.00 N ATOM 532 CA GLN X 142 -1.106 -14.823 -0.372 1.00 0.00 C ATOM 533 C GLN X 142 -0.315 -13.532 -0.450 1.00 0.00 C ATOM 534 O GLN X 142 0.141 -13.133 -1.517 1.00 0.00 O ATOM 535 CB GLN X 142 -0.416 -15.854 -1.274 1.00 0.00 C ATOM 536 CG GLN X 142 -0.954 -17.292 -1.199 1.00 0.00 C ATOM 537 CD GLN X 142 -2.078 -17.590 -2.186 1.00 0.00 C ATOM 538 OE1 GLN X 142 -3.088 -16.895 -2.262 1.00 0.00 O ATOM 539 NE2 GLN X 142 -1.886 -18.617 -2.970 1.00 0.00 N ATOM 0 H GLN X 142 -2.726 -15.159 -1.621 1.00 0.00 H new ATOM 0 HA GLN X 142 -1.128 -15.168 0.662 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -0.494 -15.513 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN X 142 0.645 -15.872 -1.024 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -0.133 -17.985 -1.380 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -1.314 -17.481 -0.188 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -1.036 -19.174 -2.882 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -2.586 -18.862 -3.671 1.00 0.00 H new ATOM 548 N ALA X 143 -0.162 -12.882 0.687 1.00 0.00 N ATOM 549 CA ALA X 143 0.591 -11.649 0.759 1.00 0.00 C ATOM 550 C ALA X 143 1.995 -11.857 0.215 1.00 0.00 C ATOM 551 O ALA X 143 2.690 -12.804 0.576 1.00 0.00 O ATOM 552 CB ALA X 143 0.644 -11.166 2.133 1.00 0.00 C ATOM 0 H ALA X 143 -0.552 -13.191 1.577 1.00 0.00 H new ATOM 0 HA ALA X 143 0.089 -10.898 0.148 1.00 0.00 H new ATOM 0 HB1 ALA X 143 1.214 -10.238 2.171 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -0.368 -10.985 2.494 1.00 0.00 H new ATOM 0 HB3 ALA X 143 1.126 -11.913 2.763 1.00 0.00 H new ATOM 558 N LEU X 144 2.388 -10.967 -0.667 1.00 0.00 N ATOM 559 CA LEU X 144 3.700 -11.002 -1.280 1.00 0.00 C ATOM 560 C LEU X 144 4.664 -10.392 -0.319 1.00 0.00 C ATOM 561 O LEU X 144 4.631 -9.196 -0.103 1.00 0.00 O ATOM 562 CB LEU X 144 3.663 -10.190 -2.540 1.00 0.00 C ATOM 563 CG LEU X 144 2.957 -10.867 -3.718 1.00 0.00 C ATOM 564 CD1 LEU X 144 2.938 -9.927 -4.870 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.668 -12.087 -4.196 1.00 0.00 C ATOM 0 H LEU X 144 1.804 -10.193 -0.983 1.00 0.00 H new ATOM 0 HA LEU X 144 3.998 -12.023 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.165 -9.243 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.686 -9.954 -2.834 1.00 0.00 H new ATOM 0 HG LEU X 144 1.962 -11.142 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU X 144 2.437 -10.398 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU X 144 2.402 -9.020 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU X 144 3.961 -9.673 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.121 -12.523 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.673 -11.818 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU X 144 3.731 -12.813 -3.385 1.00 0.00 H new ATOM 577 N ARG X 145 5.512 -11.207 0.276 1.00 0.00 N ATOM 578 CA ARG X 145 6.449 -10.702 1.263 1.00 0.00 C ATOM 579 C ARG X 145 7.871 -10.662 0.819 1.00 0.00 C ATOM 580 O ARG X 145 8.501 -11.703 0.725 1.00 0.00 O ATOM 581 CB ARG X 145 6.367 -11.548 2.530 1.00 0.00 C ATOM 582 CG ARG X 145 7.329 -11.059 3.633 1.00 0.00 C ATOM 583 CD ARG X 145 7.260 -11.919 4.872 1.00 0.00 C ATOM 584 NE ARG X 145 7.747 -13.271 4.603 1.00 0.00 N ATOM 585 CZ ARG X 145 7.824 -14.219 5.516 1.00 0.00 C ATOM 586 NH1 ARG X 145 7.465 -13.974 6.746 1.00 0.00 N ATOM 587 NH2 ARG X 145 8.259 -15.407 5.195 1.00 0.00 N ATOM 0 H ARG X 145 5.573 -12.209 0.098 1.00 0.00 H new ATOM 0 HA ARG X 145 6.148 -9.669 1.437 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.345 -11.529 2.910 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.597 -12.585 2.286 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.349 -11.059 3.249 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.086 -10.029 3.894 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.854 -11.467 5.666 1.00 0.00 H new ATOM 0 HD3 ARG X 145 6.231 -11.964 5.230 1.00 0.00 H new ATOM 0 HE ARG X 145 8.045 -13.494 3.653 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.124 -13.048 7.003 1.00 0.00 H new ATOM 0 HH12 ARG X 145 7.525 -14.709 7.451 1.00 0.00 H new ATOM 0 HH21 ARG X 145 8.541 -15.605 4.235 1.00 0.00 H new ATOM 0 HH22 ARG X 145 8.317 -16.138 5.904 1.00 0.00 H new ATOM 601 N CYS X 146 8.408 -9.484 0.568 1.00 0.00 N ATOM 602 CA CYS X 146 9.824 -9.405 0.224 1.00 0.00 C ATOM 603 C CYS X 146 10.565 -9.634 1.550 1.00 0.00 C ATOM 604 O CYS X 146 10.878 -8.716 2.307 1.00 0.00 O ATOM 605 CB CYS X 146 10.202 -8.084 -0.407 1.00 0.00 C ATOM 606 SG CYS X 146 12.005 -7.919 -0.663 1.00 0.00 S ATOM 0 H CYS X 146 7.911 -8.594 0.592 1.00 0.00 H new ATOM 0 HA CYS X 146 10.087 -10.147 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.692 -7.984 -1.365 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.852 -7.269 0.227 1.00 0.00 H new ATOM 611 N ALA X 147 10.795 -10.907 1.812 1.00 0.00 N ATOM 612 CA ALA X 147 11.442 -11.383 3.027 1.00 0.00 C ATOM 613 C ALA X 147 12.836 -10.809 3.207 1.00 0.00 C ATOM 614 O ALA X 147 13.379 -10.834 4.305 1.00 0.00 O ATOM 615 CB ALA X 147 11.501 -12.905 3.013 1.00 0.00 C ATOM 0 H ALA X 147 10.532 -11.658 1.174 1.00 0.00 H new ATOM 0 HA ALA X 147 10.845 -11.040 3.872 1.00 0.00 H new ATOM 0 HB1 ALA X 147 11.986 -13.259 3.923 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.490 -13.308 2.960 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.070 -13.239 2.146 1.00 0.00 H new ATOM 621 N ASN X 148 13.421 -10.305 2.130 1.00 0.00 N ATOM 622 CA ASN X 148 14.746 -9.717 2.209 1.00 0.00 C ATOM 623 C ASN X 148 14.833 -8.499 3.058 1.00 0.00 C ATOM 624 O ASN X 148 15.935 -8.105 3.464 1.00 0.00 O ATOM 625 CB ASN X 148 15.359 -9.471 0.826 1.00 0.00 C ATOM 626 CG ASN X 148 15.685 -10.745 0.105 1.00 0.00 C ATOM 627 OD1 ASN X 148 15.664 -11.822 0.696 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.962 -10.648 -1.165 1.00 0.00 N ATOM 0 H ASN X 148 13.002 -10.292 1.200 1.00 0.00 H new ATOM 0 HA ASN X 148 15.344 -10.473 2.717 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.665 -8.885 0.224 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.266 -8.877 0.935 1.00 0.00 H new ATOM 0 HD21 ASN X 148 16.172 -11.486 -1.707 1.00 0.00 H new ATOM 0 HD22 ASN X 148 15.969 -9.734 -1.617 1.00 0.00 H new ATOM 635 N CYS X 149 13.689 -7.906 3.357 1.00 0.00 N ATOM 636 CA CYS X 149 13.699 -6.742 4.154 1.00 0.00 C ATOM 637 C CYS X 149 12.372 -6.213 4.662 1.00 0.00 C ATOM 638 O CYS X 149 12.140 -6.044 5.862 1.00 0.00 O ATOM 639 CB CYS X 149 14.265 -5.663 3.177 1.00 0.00 C ATOM 640 SG CYS X 149 13.468 -5.633 1.504 1.00 0.00 S ATOM 0 H CYS X 149 12.768 -8.223 3.055 1.00 0.00 H new ATOM 0 HA CYS X 149 14.253 -6.971 5.065 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.150 -4.681 3.636 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.334 -5.832 3.051 1.00 0.00 H new ATOM 645 N LYS X 150 11.578 -5.879 3.697 1.00 0.00 N ATOM 646 CA LYS X 150 10.326 -5.152 3.901 1.00 0.00 C ATOM 647 C LYS X 150 8.914 -5.795 3.906 1.00 0.00 C ATOM 648 O LYS X 150 8.508 -6.515 4.805 1.00 0.00 O ATOM 649 CB LYS X 150 10.370 -3.977 2.909 1.00 0.00 C ATOM 650 CG LYS X 150 11.558 -3.053 3.137 1.00 0.00 C ATOM 651 CD LYS X 150 11.565 -1.963 2.119 1.00 0.00 C ATOM 652 CE LYS X 150 12.773 -1.041 2.284 1.00 0.00 C ATOM 653 NZ LYS X 150 12.776 -0.309 3.585 1.00 0.00 N ATOM 0 H LYS X 150 11.768 -6.099 2.719 1.00 0.00 H new ATOM 0 HA LYS X 150 10.360 -4.949 4.971 1.00 0.00 H new ATOM 0 HB2 LYS X 150 10.410 -4.368 1.892 1.00 0.00 H new ATOM 0 HB3 LYS X 150 9.448 -3.402 2.993 1.00 0.00 H new ATOM 0 HG2 LYS X 150 11.508 -2.625 4.138 1.00 0.00 H new ATOM 0 HG3 LYS X 150 12.486 -3.621 3.079 1.00 0.00 H new ATOM 0 HD2 LYS X 150 11.574 -2.399 1.120 1.00 0.00 H new ATOM 0 HD3 LYS X 150 10.648 -1.380 2.204 1.00 0.00 H new ATOM 0 HE2 LYS X 150 13.686 -1.630 2.203 1.00 0.00 H new ATOM 0 HE3 LYS X 150 12.786 -0.319 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 13.550 0.386 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 11.868 0.183 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 12.912 -0.985 4.363 1.00 0.00 H new ATOM 667 N PHE X 151 8.166 -5.380 2.893 1.00 0.00 N ATOM 668 CA PHE X 151 6.764 -5.652 2.633 1.00 0.00 C ATOM 669 C PHE X 151 6.058 -6.941 2.435 1.00 0.00 C ATOM 670 O PHE X 151 6.282 -7.586 1.433 1.00 0.00 O ATOM 671 CB PHE X 151 6.455 -4.966 1.300 1.00 0.00 C ATOM 672 CG PHE X 151 6.463 -3.499 1.372 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.338 -2.854 1.802 1.00 0.00 C ATOM 674 CD2 PHE X 151 7.568 -2.754 0.998 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.307 -1.476 1.885 1.00 0.00 C ATOM 676 CE2 PHE X 151 7.545 -1.392 1.068 1.00 0.00 C ATOM 677 CZ PHE X 151 6.409 -0.745 1.516 1.00 0.00 C ATOM 0 H PHE X 151 8.566 -4.788 2.165 1.00 0.00 H new ATOM 0 HA PHE X 151 6.417 -5.370 3.627 1.00 0.00 H new ATOM 0 HB2 PHE X 151 7.186 -5.288 0.558 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.478 -5.298 0.949 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.465 -3.427 2.079 1.00 0.00 H new ATOM 0 HD2 PHE X 151 8.457 -3.256 0.647 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.418 -0.975 2.239 1.00 0.00 H new ATOM 0 HE2 PHE X 151 8.413 -0.820 0.774 1.00 0.00 H new ATOM 0 HZ PHE X 151 6.388 0.333 1.576 1.00 0.00 H new ATOM 687 N THR X 152 5.104 -7.239 3.308 1.00 0.00 N ATOM 688 CA THR X 152 4.221 -8.349 3.104 1.00 0.00 C ATOM 689 C THR X 152 2.878 -7.664 2.739 1.00 0.00 C ATOM 690 O THR X 152 2.005 -7.448 3.563 1.00 0.00 O ATOM 691 CB THR X 152 4.175 -9.158 4.391 1.00 0.00 C ATOM 692 OG1 THR X 152 3.165 -10.166 4.310 1.00 0.00 O ATOM 693 CG2 THR X 152 3.970 -8.327 5.649 1.00 0.00 C ATOM 0 H THR X 152 4.932 -6.715 4.166 1.00 0.00 H new ATOM 0 HA THR X 152 4.510 -9.056 2.326 1.00 0.00 H new ATOM 0 HB THR X 152 5.162 -9.612 4.484 1.00 0.00 H new ATOM 0 HG1 THR X 152 3.037 -10.573 5.192 1.00 0.00 H new ATOM 0 HG21 THR X 152 3.950 -8.983 6.519 1.00 0.00 H new ATOM 0 HG22 THR X 152 4.788 -7.614 5.751 1.00 0.00 H new ATOM 0 HG23 THR X 152 3.025 -7.788 5.579 1.00 0.00 H new ATOM 701 N CYS X 153 2.727 -7.366 1.465 1.00 0.00 N ATOM 702 CA CYS X 153 1.539 -6.678 0.933 1.00 0.00 C ATOM 703 C CYS X 153 0.564 -7.485 0.067 1.00 0.00 C ATOM 704 O CYS X 153 0.885 -8.591 -0.356 1.00 0.00 O ATOM 705 CB CYS X 153 2.072 -5.568 0.030 1.00 0.00 C ATOM 706 SG CYS X 153 2.916 -6.201 -1.422 1.00 0.00 S ATOM 0 H CYS X 153 3.423 -7.590 0.754 1.00 0.00 H new ATOM 0 HA CYS X 153 0.964 -6.383 1.811 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.244 -4.932 -0.284 1.00 0.00 H new ATOM 0 HB3 CYS X 153 2.758 -4.940 0.599 1.00 0.00 H new ATOM 0 HG CYS X 153 2.039 -6.586 -2.300 1.00 0.00 H new ATOM 712 N HIS X 154 -0.607 -6.923 -0.243 1.00 0.00 N ATOM 713 CA HIS X 154 -1.548 -7.623 -1.147 1.00 0.00 C ATOM 714 C HIS X 154 -0.808 -7.793 -2.481 1.00 0.00 C ATOM 715 O HIS X 154 0.037 -6.956 -2.864 1.00 0.00 O ATOM 716 CB HIS X 154 -2.846 -6.858 -1.516 1.00 0.00 C ATOM 717 CG HIS X 154 -3.747 -6.511 -0.371 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.545 -5.417 0.469 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.903 -7.130 0.045 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.577 -5.438 1.364 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.391 -6.453 1.122 1.00 0.00 N ATOM 0 H HIS X 154 -0.927 -6.017 0.100 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.846 -8.530 -0.621 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.569 -5.936 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.410 -7.460 -2.228 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.348 -8.005 -0.406 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.711 -4.722 2.162 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.233 -6.687 1.648 1.00 0.00 H new ATOM 729 N SER X 155 -1.136 -8.844 -3.213 1.00 0.00 N ATOM 730 CA SER X 155 -0.503 -9.068 -4.505 1.00 0.00 C ATOM 731 C SER X 155 -0.698 -7.819 -5.365 1.00 0.00 C ATOM 732 O SER X 155 0.247 -7.270 -5.905 1.00 0.00 O ATOM 733 CB SER X 155 -1.076 -10.321 -5.172 1.00 0.00 C ATOM 734 OG SER X 155 -2.482 -10.220 -5.348 1.00 0.00 O ATOM 0 H SER X 155 -1.825 -9.546 -2.943 1.00 0.00 H new ATOM 0 HA SER X 155 0.566 -9.242 -4.378 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.597 -10.471 -6.140 1.00 0.00 H new ATOM 0 HB3 SER X 155 -0.846 -11.196 -4.564 1.00 0.00 H new ATOM 0 HG SER X 155 -2.817 -11.035 -5.778 1.00 0.00 H new ATOM 740 N GLU X 156 -1.931 -7.354 -5.444 1.00 0.00 N ATOM 741 CA GLU X 156 -2.264 -6.155 -6.204 1.00 0.00 C ATOM 742 C GLU X 156 -1.491 -4.921 -5.707 1.00 0.00 C ATOM 743 O GLU X 156 -1.082 -4.078 -6.508 1.00 0.00 O ATOM 744 CB GLU X 156 -3.787 -5.958 -6.164 1.00 0.00 C ATOM 745 CG GLU X 156 -4.359 -5.772 -4.761 1.00 0.00 C ATOM 746 CD GLU X 156 -5.875 -5.739 -4.752 1.00 0.00 C ATOM 747 OE1 GLU X 156 -6.452 -5.118 -5.665 1.00 0.00 O ATOM 748 OE2 GLU X 156 -6.432 -6.504 -3.928 1.00 0.00 O ATOM 0 H GLU X 156 -2.730 -7.792 -4.986 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.953 -6.284 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -4.045 -5.088 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -4.266 -6.821 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -4.013 -6.583 -4.120 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -3.976 -4.844 -4.336 1.00 0.00 H new ATOM 755 N CYS X 157 -1.257 -4.840 -4.400 1.00 0.00 N ATOM 756 CA CYS X 157 -0.523 -3.733 -3.819 1.00 0.00 C ATOM 757 C CYS X 157 0.931 -3.634 -4.262 1.00 0.00 C ATOM 758 O CYS X 157 1.464 -2.523 -4.326 1.00 0.00 O ATOM 759 CB CYS X 157 -0.581 -3.792 -2.290 1.00 0.00 C ATOM 760 SG CYS X 157 -2.183 -3.422 -1.629 1.00 0.00 S ATOM 0 H CYS X 157 -1.570 -5.536 -3.724 1.00 0.00 H new ATOM 0 HA CYS X 157 -1.021 -2.838 -4.192 1.00 0.00 H new ATOM 0 HB2 CYS X 157 -0.282 -4.787 -1.961 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.144 -3.089 -1.879 1.00 0.00 H new ATOM 765 N ARG X 158 1.602 -4.754 -4.553 1.00 0.00 N ATOM 766 CA ARG X 158 3.032 -4.617 -4.943 1.00 0.00 C ATOM 767 C ARG X 158 3.217 -3.713 -6.150 1.00 0.00 C ATOM 768 O ARG X 158 4.297 -3.183 -6.354 1.00 0.00 O ATOM 769 CB ARG X 158 3.812 -5.897 -5.256 1.00 0.00 C ATOM 770 CG ARG X 158 3.391 -6.684 -6.490 1.00 0.00 C ATOM 771 CD ARG X 158 4.515 -7.617 -6.906 1.00 0.00 C ATOM 772 NE ARG X 158 5.641 -6.848 -7.444 1.00 0.00 N ATOM 773 CZ ARG X 158 6.772 -7.380 -7.865 1.00 0.00 C ATOM 774 NH1 ARG X 158 6.944 -8.673 -7.833 1.00 0.00 N ATOM 775 NH2 ARG X 158 7.727 -6.614 -8.319 1.00 0.00 N ATOM 0 H ARG X 158 1.226 -5.702 -4.534 1.00 0.00 H new ATOM 0 HA ARG X 158 3.443 -4.201 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG X 158 4.864 -5.633 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.738 -6.558 -4.392 1.00 0.00 H new ATOM 0 HG2 ARG X 158 2.488 -7.257 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG X 158 3.151 -6.001 -7.305 1.00 0.00 H new ATOM 0 HD2 ARG X 158 4.844 -8.206 -6.050 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.154 -8.320 -7.657 1.00 0.00 H new ATOM 0 HE ARG X 158 5.543 -5.834 -7.496 1.00 0.00 H new ATOM 0 HH11 ARG X 158 6.202 -9.278 -7.481 1.00 0.00 H new ATOM 0 HH12 ARG X 158 7.821 -9.079 -8.160 1.00 0.00 H new ATOM 0 HH21 ARG X 158 7.599 -5.602 -8.348 1.00 0.00 H new ATOM 0 HH22 ARG X 158 8.601 -7.027 -8.644 1.00 0.00 H new ATOM 789 N SER X 159 2.183 -3.575 -6.965 1.00 0.00 N ATOM 790 CA SER X 159 2.248 -2.753 -8.169 1.00 0.00 C ATOM 791 C SER X 159 2.781 -1.348 -7.896 1.00 0.00 C ATOM 792 O SER X 159 3.583 -0.826 -8.662 1.00 0.00 O ATOM 793 CB SER X 159 0.846 -2.623 -8.757 1.00 0.00 C ATOM 794 OG SER X 159 0.296 -3.905 -9.004 1.00 0.00 O ATOM 0 H SER X 159 1.280 -4.025 -6.815 1.00 0.00 H new ATOM 0 HA SER X 159 2.933 -3.246 -8.859 1.00 0.00 H new ATOM 0 HB2 SER X 159 0.205 -2.071 -8.069 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.885 -2.051 -9.684 1.00 0.00 H new ATOM 0 HG SER X 159 -0.258 -4.176 -8.242 1.00 0.00 H new ATOM 800 N LEU X 160 2.327 -0.729 -6.813 1.00 0.00 N ATOM 801 CA LEU X 160 2.778 0.623 -6.467 1.00 0.00 C ATOM 802 C LEU X 160 4.047 0.672 -5.603 1.00 0.00 C ATOM 803 O LEU X 160 4.571 1.747 -5.312 1.00 0.00 O ATOM 804 CB LEU X 160 1.620 1.414 -5.823 1.00 0.00 C ATOM 805 CG LEU X 160 0.954 0.943 -4.516 1.00 0.00 C ATOM 806 CD1 LEU X 160 1.890 0.912 -3.335 1.00 0.00 C ATOM 807 CD2 LEU X 160 -0.185 1.883 -4.207 1.00 0.00 C ATOM 0 H LEU X 160 1.653 -1.132 -6.162 1.00 0.00 H new ATOM 0 HA LEU X 160 3.070 1.098 -7.404 1.00 0.00 H new ATOM 0 HB2 LEU X 160 1.987 2.425 -5.645 1.00 0.00 H new ATOM 0 HB3 LEU X 160 0.831 1.488 -6.572 1.00 0.00 H new ATOM 0 HG LEU X 160 0.617 -0.082 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU X 160 1.350 0.571 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU X 160 2.715 0.230 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU X 160 2.283 1.913 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -0.674 1.571 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU X 160 0.201 2.896 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU X 160 -0.906 1.863 -5.025 1.00 0.00 H new ATOM 819 N ILE X 161 4.544 -0.485 -5.185 1.00 0.00 N ATOM 820 CA ILE X 161 5.740 -0.534 -4.343 1.00 0.00 C ATOM 821 C ILE X 161 7.020 -0.414 -5.158 1.00 0.00 C ATOM 822 O ILE X 161 7.494 -1.369 -5.764 1.00 0.00 O ATOM 823 CB ILE X 161 5.787 -1.832 -3.495 1.00 0.00 C ATOM 824 CG1 ILE X 161 4.522 -1.894 -2.621 1.00 0.00 C ATOM 825 CG2 ILE X 161 7.059 -1.838 -2.598 1.00 0.00 C ATOM 826 CD1 ILE X 161 4.470 -3.040 -1.671 1.00 0.00 C ATOM 0 H ILE X 161 4.145 -1.396 -5.411 1.00 0.00 H new ATOM 0 HA ILE X 161 5.676 0.325 -3.675 1.00 0.00 H new ATOM 0 HB ILE X 161 5.826 -2.702 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE X 161 4.445 -0.967 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE X 161 3.650 -1.942 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE X 161 7.083 -2.753 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE X 161 7.948 -1.789 -3.227 1.00 0.00 H new ATOM 0 HG23 ILE X 161 7.038 -0.976 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE X 161 3.542 -2.998 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE X 161 4.511 -3.976 -2.228 1.00 0.00 H new ATOM 0 HD13 ILE X 161 5.318 -2.986 -0.989 1.00 0.00 H new ATOM 838 N GLN X 162 7.575 0.786 -5.157 1.00 0.00 N ATOM 839 CA GLN X 162 8.819 1.065 -5.866 1.00 0.00 C ATOM 840 C GLN X 162 10.001 0.801 -4.928 1.00 0.00 C ATOM 841 O GLN X 162 11.080 0.417 -5.354 1.00 0.00 O ATOM 842 CB GLN X 162 8.827 2.522 -6.331 1.00 0.00 C ATOM 843 CG GLN X 162 7.752 2.819 -7.375 1.00 0.00 C ATOM 844 CD GLN X 162 7.716 4.278 -7.769 1.00 0.00 C ATOM 845 OE1 GLN X 162 8.701 4.840 -8.214 1.00 0.00 O ATOM 846 NE2 GLN X 162 6.580 4.902 -7.582 1.00 0.00 N ATOM 0 H GLN X 162 7.182 1.591 -4.669 1.00 0.00 H new ATOM 0 HA GLN X 162 8.902 0.418 -6.739 1.00 0.00 H new ATOM 0 HB2 GLN X 162 8.680 3.174 -5.470 1.00 0.00 H new ATOM 0 HB3 GLN X 162 9.806 2.760 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN X 162 7.933 2.211 -8.261 1.00 0.00 H new ATOM 0 HG3 GLN X 162 6.778 2.528 -6.982 1.00 0.00 H new ATOM 0 HE21 GLN X 162 5.777 4.397 -7.207 1.00 0.00 H new ATOM 0 HE22 GLN X 162 6.499 5.893 -7.811 1.00 0.00 H new ATOM 855 N LEU X 163 9.764 1.054 -3.646 1.00 0.00 N ATOM 856 CA LEU X 163 10.756 0.891 -2.575 1.00 0.00 C ATOM 857 C LEU X 163 11.428 -0.496 -2.468 1.00 0.00 C ATOM 858 O LEU X 163 10.872 -1.444 -1.907 1.00 0.00 O ATOM 859 CB LEU X 163 10.107 1.290 -1.245 1.00 0.00 C ATOM 860 CG LEU X 163 10.993 1.200 -0.002 1.00 0.00 C ATOM 861 CD1 LEU X 163 12.255 2.025 -0.152 1.00 0.00 C ATOM 862 CD2 LEU X 163 10.215 1.721 1.190 1.00 0.00 C ATOM 0 H LEU X 163 8.860 1.385 -3.309 1.00 0.00 H new ATOM 0 HA LEU X 163 11.585 1.549 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU X 163 9.747 2.315 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU X 163 9.233 0.658 -1.088 1.00 0.00 H new ATOM 0 HG LEU X 163 11.279 0.157 0.136 1.00 0.00 H new ATOM 0 HD11 LEU X 163 12.858 1.935 0.752 1.00 0.00 H new ATOM 0 HD12 LEU X 163 12.826 1.664 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU X 163 11.990 3.071 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU X 163 10.836 1.662 2.084 1.00 0.00 H new ATOM 0 HD22 LEU X 163 9.930 2.758 1.014 1.00 0.00 H new ATOM 0 HD23 LEU X 163 9.318 1.118 1.331 1.00 0.00 H new ATOM 874 N ASP X 164 12.628 -0.565 -3.020 1.00 0.00 N ATOM 875 CA ASP X 164 13.492 -1.754 -3.049 1.00 0.00 C ATOM 876 C ASP X 164 14.070 -2.270 -1.730 1.00 0.00 C ATOM 877 O ASP X 164 13.792 -1.756 -0.637 1.00 0.00 O ATOM 878 CB ASP X 164 14.616 -1.536 -4.076 1.00 0.00 C ATOM 879 CG ASP X 164 15.596 -0.429 -3.671 1.00 0.00 C ATOM 880 OD1 ASP X 164 15.339 0.250 -2.651 1.00 0.00 O ATOM 881 OD2 ASP X 164 16.454 -0.133 -4.524 1.00 0.00 O ATOM 0 H ASP X 164 13.054 0.238 -3.483 1.00 0.00 H new ATOM 0 HA ASP X 164 12.810 -2.557 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP X 164 15.165 -2.468 -4.208 1.00 0.00 H new ATOM 0 HB3 ASP X 164 14.175 -1.287 -5.041 1.00 0.00 H new ATOM 886 N CYS X 165 14.849 -3.343 -1.845 1.00 0.00 N ATOM 887 CA CYS X 165 15.487 -3.944 -0.704 1.00 0.00 C ATOM 888 C CYS X 165 16.544 -2.999 -0.108 1.00 0.00 C ATOM 889 O CYS X 165 17.565 -2.703 -0.723 1.00 0.00 O ATOM 890 CB CYS X 165 16.155 -5.267 -1.114 1.00 0.00 C ATOM 891 SG CYS X 165 15.127 -6.570 -1.771 1.00 0.00 S ATOM 0 H CYS X 165 15.047 -3.809 -2.731 1.00 0.00 H new ATOM 0 HA CYS X 165 14.725 -4.137 0.051 1.00 0.00 H new ATOM 0 HB2 CYS X 165 16.916 -5.037 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS X 165 16.673 -5.662 -0.240 1.00 0.00 H new ATOM 896 N ARG X 166 16.257 -2.562 1.106 1.00 0.00 N ATOM 897 CA ARG X 166 17.150 -1.669 1.873 1.00 0.00 C ATOM 898 C ARG X 166 18.506 -2.341 2.096 1.00 0.00 C ATOM 899 O ARG X 166 19.331 -1.651 2.724 1.00 0.00 O ATOM 900 CB ARG X 166 16.486 -1.274 3.213 1.00 0.00 C ATOM 901 CG ARG X 166 16.202 -2.449 4.176 1.00 0.00 C ATOM 902 CD ARG X 166 17.442 -2.983 4.929 1.00 0.00 C ATOM 903 NE ARG X 166 17.112 -4.194 5.670 1.00 0.00 N ATOM 904 CZ ARG X 166 17.190 -5.403 5.140 1.00 0.00 C ATOM 905 NH1 ARG X 166 17.589 -5.567 3.909 1.00 0.00 N ATOM 906 NH2 ARG X 166 16.863 -6.451 5.843 1.00 0.00 N ATOM 907 OXT ARG X 166 18.477 -3.598 2.071 1.00 0.00 O ATOM 0 H ARG X 166 15.400 -2.809 1.601 1.00 0.00 H new ATOM 0 HA ARG X 166 17.320 -0.756 1.302 1.00 0.00 H new ATOM 0 HB2 ARG X 166 17.129 -0.555 3.721 1.00 0.00 H new ATOM 0 HB3 ARG X 166 15.546 -0.765 2.999 1.00 0.00 H new ATOM 0 HG2 ARG X 166 15.460 -2.130 4.907 1.00 0.00 H new ATOM 0 HG3 ARG X 166 15.759 -3.267 3.608 1.00 0.00 H new ATOM 0 HD2 ARG X 166 18.243 -3.192 4.219 1.00 0.00 H new ATOM 0 HD3 ARG X 166 17.814 -2.221 5.614 1.00 0.00 H new ATOM 0 HE ARG X 166 16.808 -4.105 6.639 1.00 0.00 H new ATOM 0 HH11 ARG X 166 17.845 -4.757 3.344 1.00 0.00 H new ATOM 0 HH12 ARG X 166 17.645 -6.505 3.512 1.00 0.00 H new ATOM 0 HH21 ARG X 166 16.545 -6.340 6.806 1.00 0.00 H new ATOM 0 HH22 ARG X 166 16.925 -7.382 5.430 1.00 0.00 H new TER 921 ARG X 166 HETATM 922 ZN ZN X 1 -2.391 -3.560 0.498 1.00 0.00 ZN HETATM 923 ZN ZN X 2 13.420 -6.136 -0.622 1.00 0.00 ZN