USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 424 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 179 CYS SG : rot -170:sc= -0.498 USER MOD Set 1.2: A 182 CYS SG : rot -179:sc= 0.00975 USER MOD Set 1.3: A 186 HIS : no HD1:sc= -0.563 X(o=-1.1,f=-0.64) USER MOD Set 2.1: A 157 HIS : no HD1:sc= -2.15! K(o=-1.7!,f=-1.1) USER MOD Set 2.2: A 178 TYR OH : rot 147:sc= 0.418 USER MOD Set 3.1: A 138 CYS SG : rot -96:sc= -3.55! USER MOD Set 3.2: A 143 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 160 CYS SG : rot -46:sc= -0.853 USER MOD Set 3.4: A 163 CYS SG : rot 147:sc= -1.21 USER MOD Single : A 139 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.7!) USER MOD Single : A 148 SER OG : rot 102:sc= 0.262 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 HIS : no HD1:sc= -3.48! K(o=-3.5!,f=-0.86) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 THR OG1 : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 175 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.5) USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 181 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N ALA A 136 -7.992 20.092 -12.119 1.00 0.00 N ATOM 18 CA ALA A 136 -8.112 19.583 -10.757 1.00 0.00 C ATOM 19 C ALA A 136 -9.540 19.727 -10.242 1.00 0.00 C ATOM 20 O ALA A 136 -9.939 20.796 -9.779 1.00 0.00 O ATOM 21 CB ALA A 136 -7.141 20.307 -9.837 1.00 0.00 C ATOM 0 HA ALA A 136 -7.863 18.522 -10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -7.241 19.918 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -6.121 20.149 -10.188 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -7.364 21.374 -9.839 1.00 0.00 H new ATOM 27 N ARG A 137 -10.306 18.644 -10.327 1.00 0.00 N ATOM 28 CA ARG A 137 -11.691 18.652 -9.873 1.00 0.00 C ATOM 29 C ARG A 137 -12.187 17.230 -9.620 1.00 0.00 C ATOM 30 O ARG A 137 -12.320 16.436 -10.552 1.00 0.00 O ATOM 31 CB ARG A 137 -12.581 19.345 -10.910 1.00 0.00 C ATOM 32 CG ARG A 137 -14.072 19.217 -10.629 1.00 0.00 C ATOM 33 CD ARG A 137 -14.787 20.551 -10.775 1.00 0.00 C ATOM 34 NE ARG A 137 -14.573 21.145 -12.092 1.00 0.00 N ATOM 35 CZ ARG A 137 -15.361 22.079 -12.621 1.00 0.00 C ATOM 36 NH1 ARG A 137 -16.412 22.531 -11.947 1.00 0.00 N ATOM 37 NH2 ARG A 137 -15.096 22.564 -13.827 1.00 0.00 N ATOM 0 H ARG A 137 -9.991 17.751 -10.706 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.742 19.204 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -12.319 20.402 -10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.370 18.926 -11.894 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -14.511 18.492 -11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.221 18.833 -9.620 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -15.855 20.410 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -14.434 21.238 -10.006 1.00 0.00 H new ATOM 0 HE ARG A 137 -13.773 20.826 -12.639 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -16.619 22.163 -11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.012 23.247 -12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -14.289 22.221 -14.348 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -15.699 23.279 -14.233 1.00 0.00 H new ATOM 51 N CYS A 138 -12.466 16.913 -8.357 1.00 0.00 N ATOM 52 CA CYS A 138 -12.955 15.587 -7.997 1.00 0.00 C ATOM 53 C CYS A 138 -14.235 15.271 -8.762 1.00 0.00 C ATOM 54 O CYS A 138 -15.318 15.729 -8.396 1.00 0.00 O ATOM 55 CB CYS A 138 -13.201 15.494 -6.490 1.00 0.00 C ATOM 56 SG CYS A 138 -13.398 13.801 -5.885 1.00 0.00 S ATOM 0 H CYS A 138 -12.362 17.554 -7.570 1.00 0.00 H new ATOM 0 HA CYS A 138 -12.195 14.854 -8.267 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.368 15.962 -5.966 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -14.096 16.065 -6.242 1.00 0.00 H new ATOM 0 HG CYS A 138 -14.663 13.513 -5.806 1.00 0.00 H new ATOM 61 N GLN A 139 -14.096 14.497 -9.834 1.00 0.00 N ATOM 62 CA GLN A 139 -15.232 14.130 -10.674 1.00 0.00 C ATOM 63 C GLN A 139 -15.921 12.856 -10.188 1.00 0.00 C ATOM 64 O GLN A 139 -16.300 12.003 -10.993 1.00 0.00 O ATOM 65 CB GLN A 139 -14.779 13.953 -12.126 1.00 0.00 C ATOM 66 CG GLN A 139 -13.676 12.922 -12.302 1.00 0.00 C ATOM 67 CD GLN A 139 -14.206 11.561 -12.710 1.00 0.00 C ATOM 68 OE1 GLN A 139 -15.184 11.459 -13.450 1.00 0.00 O ATOM 69 NE2 GLN A 139 -13.562 10.506 -12.224 1.00 0.00 N ATOM 0 H GLN A 139 -13.204 14.110 -10.143 1.00 0.00 H new ATOM 0 HA GLN A 139 -15.957 14.942 -10.610 1.00 0.00 H new ATOM 0 HB2 GLN A 139 -15.637 13.661 -12.732 1.00 0.00 H new ATOM 0 HB3 GLN A 139 -14.431 14.913 -12.508 1.00 0.00 H new ATOM 0 HG2 GLN A 139 -12.972 13.274 -13.056 1.00 0.00 H new ATOM 0 HG3 GLN A 139 -13.121 12.826 -11.368 1.00 0.00 H new ATOM 0 HE21 GLN A 139 -12.755 10.637 -11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 139 -13.874 9.564 -12.461 1.00 0.00 H new ATOM 78 N VAL A 140 -16.101 12.734 -8.878 1.00 0.00 N ATOM 79 CA VAL A 140 -16.765 11.566 -8.312 1.00 0.00 C ATOM 80 C VAL A 140 -18.271 11.812 -8.209 1.00 0.00 C ATOM 81 O VAL A 140 -18.702 12.790 -7.601 1.00 0.00 O ATOM 82 CB VAL A 140 -16.207 11.218 -6.917 1.00 0.00 C ATOM 83 CG1 VAL A 140 -16.823 9.927 -6.394 1.00 0.00 C ATOM 84 CG2 VAL A 140 -14.689 11.114 -6.963 1.00 0.00 C ATOM 0 H VAL A 140 -15.799 13.425 -8.191 1.00 0.00 H new ATOM 0 HA VAL A 140 -16.574 10.725 -8.979 1.00 0.00 H new ATOM 0 HB VAL A 140 -16.475 12.020 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -16.414 9.702 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -17.904 10.044 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.592 9.110 -7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.311 10.868 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.399 10.333 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.269 12.067 -7.285 1.00 0.00 H new ATOM 94 N PRO A 141 -19.101 10.936 -8.812 1.00 0.00 N ATOM 95 CA PRO A 141 -20.558 11.083 -8.785 1.00 0.00 C ATOM 96 C PRO A 141 -21.089 11.426 -7.396 1.00 0.00 C ATOM 97 O PRO A 141 -21.838 12.389 -7.228 1.00 0.00 O ATOM 98 CB PRO A 141 -21.081 9.710 -9.242 1.00 0.00 C ATOM 99 CG PRO A 141 -19.877 8.835 -9.392 1.00 0.00 C ATOM 100 CD PRO A 141 -18.700 9.747 -9.569 1.00 0.00 C ATOM 0 HA PRO A 141 -20.886 11.905 -9.421 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -21.776 9.295 -8.512 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -21.622 9.793 -10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -19.747 8.202 -8.514 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -19.985 8.172 -10.250 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -17.783 9.307 -9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -18.519 9.977 -10.619 1.00 0.00 H new ATOM 108 N ASP A 142 -20.701 10.633 -6.403 1.00 0.00 N ATOM 109 CA ASP A 142 -21.143 10.857 -5.032 1.00 0.00 C ATOM 110 C ASP A 142 -20.401 12.029 -4.393 1.00 0.00 C ATOM 111 O ASP A 142 -20.878 12.621 -3.426 1.00 0.00 O ATOM 112 CB ASP A 142 -20.940 9.594 -4.195 1.00 0.00 C ATOM 113 CG ASP A 142 -19.524 9.063 -4.280 1.00 0.00 C ATOM 114 OD1 ASP A 142 -19.113 8.642 -5.382 1.00 0.00 O ATOM 115 OD2 ASP A 142 -18.824 9.068 -3.246 1.00 0.00 O ATOM 0 H ASP A 142 -20.082 9.831 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 142 -22.205 11.102 -5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -21.182 9.809 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.634 8.824 -4.531 1.00 0.00 H new ATOM 120 N CYS A 143 -19.229 12.358 -4.934 1.00 0.00 N ATOM 121 CA CYS A 143 -18.430 13.457 -4.404 1.00 0.00 C ATOM 122 C CYS A 143 -17.970 14.395 -5.519 1.00 0.00 C ATOM 123 O CYS A 143 -16.941 14.164 -6.156 1.00 0.00 O ATOM 124 CB CYS A 143 -17.218 12.913 -3.643 1.00 0.00 C ATOM 125 SG CYS A 143 -16.137 14.190 -2.956 1.00 0.00 S ATOM 0 H CYS A 143 -18.815 11.881 -5.735 1.00 0.00 H new ATOM 0 HA CYS A 143 -19.057 14.027 -3.718 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -17.569 12.276 -2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -16.635 12.282 -4.314 1.00 0.00 H new ATOM 0 HG CYS A 143 -15.145 13.629 -2.331 1.00 0.00 H new ATOM 130 N GLU A 144 -18.738 15.456 -5.744 1.00 0.00 N ATOM 131 CA GLU A 144 -18.408 16.435 -6.775 1.00 0.00 C ATOM 132 C GLU A 144 -17.653 17.612 -6.170 1.00 0.00 C ATOM 133 O GLU A 144 -18.221 18.682 -5.948 1.00 0.00 O ATOM 134 CB GLU A 144 -19.679 16.927 -7.468 1.00 0.00 C ATOM 135 CG GLU A 144 -19.489 17.224 -8.948 1.00 0.00 C ATOM 136 CD GLU A 144 -19.012 18.640 -9.200 1.00 0.00 C ATOM 137 OE1 GLU A 144 -19.828 19.576 -9.065 1.00 0.00 O ATOM 138 OE2 GLU A 144 -17.821 18.815 -9.534 1.00 0.00 O ATOM 0 H GLU A 144 -19.593 15.660 -5.227 1.00 0.00 H new ATOM 0 HA GLU A 144 -17.769 15.953 -7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -20.459 16.175 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -20.030 17.829 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -18.768 16.522 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -20.432 17.063 -9.471 1.00 0.00 H new ATOM 145 N ALA A 145 -16.369 17.404 -5.896 1.00 0.00 N ATOM 146 CA ALA A 145 -15.533 18.446 -5.307 1.00 0.00 C ATOM 147 C ALA A 145 -14.862 19.294 -6.381 1.00 0.00 C ATOM 148 O ALA A 145 -14.524 18.798 -7.456 1.00 0.00 O ATOM 149 CB ALA A 145 -14.488 17.825 -4.393 1.00 0.00 C ATOM 0 H ALA A 145 -15.884 16.524 -6.072 1.00 0.00 H new ATOM 0 HA ALA A 145 -16.176 19.101 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 145 -13.870 18.611 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 145 -14.984 17.272 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 145 -13.859 17.145 -4.968 1.00 0.00 H new ATOM 155 N ASP A 146 -14.669 20.575 -6.081 1.00 0.00 N ATOM 156 CA ASP A 146 -14.034 21.493 -7.017 1.00 0.00 C ATOM 157 C ASP A 146 -12.619 21.840 -6.561 1.00 0.00 C ATOM 158 O ASP A 146 -12.297 23.006 -6.329 1.00 0.00 O ATOM 159 CB ASP A 146 -14.868 22.768 -7.157 1.00 0.00 C ATOM 160 CG ASP A 146 -14.292 23.730 -8.180 1.00 0.00 C ATOM 161 OD1 ASP A 146 -13.903 23.271 -9.273 1.00 0.00 O ATOM 162 OD2 ASP A 146 -14.229 24.941 -7.884 1.00 0.00 O ATOM 0 H ASP A 146 -14.944 21.000 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 146 -13.972 21.001 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 146 -15.885 22.503 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 146 -14.930 23.266 -6.189 1.00 0.00 H new ATOM 167 N ILE A 147 -11.779 20.819 -6.432 1.00 0.00 N ATOM 168 CA ILE A 147 -10.399 21.011 -6.001 1.00 0.00 C ATOM 169 C ILE A 147 -9.552 21.621 -7.117 1.00 0.00 C ATOM 170 O ILE A 147 -8.660 20.968 -7.659 1.00 0.00 O ATOM 171 CB ILE A 147 -9.762 19.681 -5.556 1.00 0.00 C ATOM 172 CG1 ILE A 147 -9.836 18.646 -6.684 1.00 0.00 C ATOM 173 CG2 ILE A 147 -10.449 19.159 -4.302 1.00 0.00 C ATOM 174 CD1 ILE A 147 -8.485 18.091 -7.082 1.00 0.00 C ATOM 0 H ILE A 147 -12.030 19.848 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 147 -10.424 21.696 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 147 -8.712 19.859 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 147 -10.480 17.824 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 147 -10.304 19.103 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 147 -9.988 18.219 -3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 147 -10.345 19.889 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 147 -11.507 18.995 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 147 -8.612 17.365 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 147 -7.845 18.903 -7.426 1.00 0.00 H new ATOM 0 HD13 ILE A 147 -8.024 17.605 -6.222 1.00 0.00 H new ATOM 186 N SER A 148 -9.833 22.877 -7.453 1.00 0.00 N ATOM 187 CA SER A 148 -9.093 23.569 -8.504 1.00 0.00 C ATOM 188 C SER A 148 -7.936 24.379 -7.923 1.00 0.00 C ATOM 189 O SER A 148 -7.497 25.364 -8.517 1.00 0.00 O ATOM 190 CB SER A 148 -10.028 24.490 -9.292 1.00 0.00 C ATOM 191 OG SER A 148 -11.002 23.743 -10.000 1.00 0.00 O ATOM 0 H SER A 148 -10.566 23.435 -7.014 1.00 0.00 H new ATOM 0 HA SER A 148 -8.681 22.815 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 148 -10.521 25.182 -8.610 1.00 0.00 H new ATOM 0 HB3 SER A 148 -9.447 25.091 -9.991 1.00 0.00 H new ATOM 0 HG SER A 148 -11.857 23.784 -9.522 1.00 0.00 H new ATOM 197 N GLU A 149 -7.443 23.960 -6.761 1.00 0.00 N ATOM 198 CA GLU A 149 -6.336 24.648 -6.107 1.00 0.00 C ATOM 199 C GLU A 149 -5.654 23.734 -5.094 1.00 0.00 C ATOM 200 O GLU A 149 -5.119 24.196 -4.087 1.00 0.00 O ATOM 201 CB GLU A 149 -6.836 25.915 -5.412 1.00 0.00 C ATOM 202 CG GLU A 149 -5.845 27.067 -5.461 1.00 0.00 C ATOM 203 CD GLU A 149 -5.571 27.539 -6.875 1.00 0.00 C ATOM 204 OE1 GLU A 149 -6.536 27.662 -7.659 1.00 0.00 O ATOM 205 OE2 GLU A 149 -4.391 27.787 -7.200 1.00 0.00 O ATOM 0 H GLU A 149 -7.793 23.147 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.608 24.924 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -7.770 26.230 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -7.061 25.684 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -6.231 27.899 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.909 26.756 -4.998 1.00 0.00 H new ATOM 212 N LEU A 150 -5.679 22.433 -5.368 1.00 0.00 N ATOM 213 CA LEU A 150 -5.065 21.451 -4.481 1.00 0.00 C ATOM 214 C LEU A 150 -3.556 21.383 -4.704 1.00 0.00 C ATOM 215 O LEU A 150 -2.992 22.183 -5.449 1.00 0.00 O ATOM 216 CB LEU A 150 -5.693 20.072 -4.707 1.00 0.00 C ATOM 217 CG LEU A 150 -6.319 19.434 -3.464 1.00 0.00 C ATOM 218 CD1 LEU A 150 -7.296 20.394 -2.804 1.00 0.00 C ATOM 219 CD2 LEU A 150 -7.015 18.130 -3.830 1.00 0.00 C ATOM 0 H LEU A 150 -6.118 22.034 -6.198 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.245 21.761 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -6.460 20.160 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -4.928 19.400 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 150 -5.524 19.213 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -7.730 19.922 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -6.770 21.302 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -8.089 20.647 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -7.455 17.689 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -7.800 18.329 -4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -6.289 17.438 -4.257 1.00 0.00 H new ATOM 231 N LYS A 151 -2.910 20.422 -4.050 1.00 0.00 N ATOM 232 CA LYS A 151 -1.469 20.247 -4.174 1.00 0.00 C ATOM 233 C LYS A 151 -1.053 18.839 -3.762 1.00 0.00 C ATOM 234 O LYS A 151 -1.509 18.321 -2.741 1.00 0.00 O ATOM 235 CB LYS A 151 -0.733 21.281 -3.319 1.00 0.00 C ATOM 236 CG LYS A 151 -1.035 21.167 -1.833 1.00 0.00 C ATOM 237 CD LYS A 151 -0.073 22.002 -1.003 1.00 0.00 C ATOM 238 CE LYS A 151 -0.169 21.660 0.476 1.00 0.00 C ATOM 239 NZ LYS A 151 -0.901 22.707 1.241 1.00 0.00 N ATOM 0 H LYS A 151 -3.364 19.752 -3.428 1.00 0.00 H new ATOM 0 HA LYS A 151 -1.200 20.393 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 151 0.340 21.170 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 151 -1.002 22.281 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 151 -2.058 21.492 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 151 -0.970 20.123 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 151 0.947 21.836 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 151 -0.291 23.060 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 151 -0.676 20.702 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 151 0.834 21.544 0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 -0.945 22.437 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 -0.404 23.616 1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 -1.866 22.801 0.865 1.00 0.00 H new ATOM 253 N GLY A 152 -0.186 18.224 -4.559 1.00 0.00 N ATOM 254 CA GLY A 152 0.276 16.882 -4.258 1.00 0.00 C ATOM 255 C GLY A 152 0.134 15.939 -5.436 1.00 0.00 C ATOM 256 O GLY A 152 0.529 16.268 -6.554 1.00 0.00 O ATOM 0 H GLY A 152 0.205 18.631 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 152 1.322 16.922 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -0.288 16.489 -3.412 1.00 0.00 H new ATOM 260 N TYR A 153 -0.432 14.763 -5.185 1.00 0.00 N ATOM 261 CA TYR A 153 -0.626 13.767 -6.233 1.00 0.00 C ATOM 262 C TYR A 153 -2.103 13.615 -6.578 1.00 0.00 C ATOM 263 O TYR A 153 -2.453 13.248 -7.700 1.00 0.00 O ATOM 264 CB TYR A 153 -0.051 12.419 -5.797 1.00 0.00 C ATOM 265 CG TYR A 153 -0.605 11.921 -4.480 1.00 0.00 C ATOM 266 CD1 TYR A 153 -1.920 11.484 -4.380 1.00 0.00 C ATOM 267 CD2 TYR A 153 0.187 11.888 -3.339 1.00 0.00 C ATOM 268 CE1 TYR A 153 -2.429 11.030 -3.178 1.00 0.00 C ATOM 269 CE2 TYR A 153 -0.315 11.434 -2.134 1.00 0.00 C ATOM 270 CZ TYR A 153 -1.623 11.006 -2.060 1.00 0.00 C ATOM 271 OH TYR A 153 -2.127 10.553 -0.862 1.00 0.00 O ATOM 0 H TYR A 153 -0.765 14.476 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 153 -0.099 14.109 -7.124 1.00 0.00 H new ATOM 0 HB2 TYR A 153 -0.256 11.679 -6.571 1.00 0.00 H new ATOM 0 HB3 TYR A 153 1.033 12.505 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 153 -2.554 11.499 -5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 153 1.212 12.223 -3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 153 -3.454 10.695 -3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 153 0.314 11.415 -1.256 1.00 0.00 H new ATOM 0 HH TYR A 153 -1.430 10.600 -0.175 1.00 0.00 H new ATOM 281 N HIS A 154 -2.970 13.897 -5.608 1.00 0.00 N ATOM 282 CA HIS A 154 -4.410 13.788 -5.816 1.00 0.00 C ATOM 283 C HIS A 154 -4.948 14.952 -6.651 1.00 0.00 C ATOM 284 O HIS A 154 -6.133 14.988 -6.982 1.00 0.00 O ATOM 285 CB HIS A 154 -5.140 13.730 -4.471 1.00 0.00 C ATOM 286 CG HIS A 154 -4.679 14.761 -3.488 1.00 0.00 C ATOM 287 ND1 HIS A 154 -4.579 14.516 -2.134 1.00 0.00 N ATOM 288 CD2 HIS A 154 -4.292 16.047 -3.663 1.00 0.00 C ATOM 289 CE1 HIS A 154 -4.152 15.605 -1.521 1.00 0.00 C ATOM 290 NE2 HIS A 154 -3.969 16.549 -2.427 1.00 0.00 N ATOM 0 H HIS A 154 -2.700 14.202 -4.673 1.00 0.00 H new ATOM 0 HA HIS A 154 -4.594 12.865 -6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 154 -6.209 13.857 -4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 154 -5.003 12.740 -4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 154 -4.246 16.579 -4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 154 -3.981 15.707 -0.459 1.00 0.00 H new ATOM 0 HE2 HIS A 154 -3.641 17.496 -2.239 1.00 0.00 H new ATOM 298 N LYS A 155 -4.079 15.898 -6.993 1.00 0.00 N ATOM 299 CA LYS A 155 -4.481 17.050 -7.789 1.00 0.00 C ATOM 300 C LYS A 155 -4.464 16.713 -9.277 1.00 0.00 C ATOM 301 O LYS A 155 -5.310 17.180 -10.040 1.00 0.00 O ATOM 302 CB LYS A 155 -3.556 18.236 -7.511 1.00 0.00 C ATOM 303 CG LYS A 155 -3.908 19.484 -8.305 1.00 0.00 C ATOM 304 CD LYS A 155 -2.745 20.464 -8.352 1.00 0.00 C ATOM 305 CE LYS A 155 -2.420 20.880 -9.778 1.00 0.00 C ATOM 306 NZ LYS A 155 -1.525 19.898 -10.451 1.00 0.00 N ATOM 0 H LYS A 155 -3.093 15.889 -6.731 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.499 17.320 -7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -3.591 18.471 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -2.530 17.947 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -4.189 19.203 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -4.775 19.969 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -2.989 21.347 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -1.866 20.008 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -3.344 20.979 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -1.944 21.860 -9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -1.327 20.217 -11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -0.633 19.822 -9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -1.990 18.968 -10.481 1.00 0.00 H new ATOM 320 N ARG A 156 -3.496 15.898 -9.683 1.00 0.00 N ATOM 321 CA ARG A 156 -3.366 15.498 -11.080 1.00 0.00 C ATOM 322 C ARG A 156 -4.148 14.217 -11.370 1.00 0.00 C ATOM 323 O ARG A 156 -3.880 13.530 -12.357 1.00 0.00 O ATOM 324 CB ARG A 156 -1.891 15.296 -11.438 1.00 0.00 C ATOM 325 CG ARG A 156 -1.619 15.328 -12.932 1.00 0.00 C ATOM 326 CD ARG A 156 -0.538 14.332 -13.323 1.00 0.00 C ATOM 327 NE ARG A 156 -0.475 14.130 -14.769 1.00 0.00 N ATOM 328 CZ ARG A 156 0.012 15.029 -15.621 1.00 0.00 C ATOM 329 NH1 ARG A 156 0.474 16.191 -15.179 1.00 0.00 N ATOM 330 NH2 ARG A 156 0.036 14.765 -16.920 1.00 0.00 N ATOM 0 H ARG A 156 -2.789 15.501 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 156 -3.782 16.297 -11.693 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -1.298 16.071 -10.952 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -1.556 14.340 -11.036 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -2.537 15.102 -13.475 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -1.314 16.332 -13.226 1.00 0.00 H new ATOM 0 HD2 ARG A 156 0.428 14.687 -12.964 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -0.730 13.378 -12.832 1.00 0.00 H new ATOM 0 HE ARG A 156 -0.824 13.249 -15.147 1.00 0.00 H new ATOM 0 HH11 ARG A 156 0.457 16.400 -14.181 1.00 0.00 H new ATOM 0 HH12 ARG A 156 0.846 16.876 -15.837 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -0.319 13.873 -17.266 1.00 0.00 H new ATOM 0 HH22 ARG A 156 0.409 15.454 -17.574 1.00 0.00 H new ATOM 344 N HIS A 157 -5.116 13.897 -10.514 1.00 0.00 N ATOM 345 CA HIS A 157 -5.925 12.696 -10.695 1.00 0.00 C ATOM 346 C HIS A 157 -7.417 13.007 -10.574 1.00 0.00 C ATOM 347 O HIS A 157 -8.239 12.098 -10.458 1.00 0.00 O ATOM 348 CB HIS A 157 -5.532 11.632 -9.669 1.00 0.00 C ATOM 349 CG HIS A 157 -4.275 10.901 -10.021 1.00 0.00 C ATOM 350 ND1 HIS A 157 -4.118 10.197 -11.196 1.00 0.00 N ATOM 351 CD2 HIS A 157 -3.109 10.765 -9.346 1.00 0.00 C ATOM 352 CE1 HIS A 157 -2.910 9.659 -11.228 1.00 0.00 C ATOM 353 NE2 HIS A 157 -2.280 9.989 -10.116 1.00 0.00 N ATOM 0 H HIS A 157 -5.358 14.450 -9.692 1.00 0.00 H new ATOM 0 HA HIS A 157 -5.736 12.316 -11.699 1.00 0.00 H new ATOM 0 HB2 HIS A 157 -5.407 12.106 -8.695 1.00 0.00 H new ATOM 0 HB3 HIS A 157 -6.346 10.914 -9.572 1.00 0.00 H new ATOM 0 HD2 HIS A 157 -2.875 11.189 -8.381 1.00 0.00 H new ATOM 0 HE1 HIS A 157 -2.508 9.054 -12.027 1.00 0.00 H new ATOM 0 HE2 HIS A 157 -1.330 9.712 -9.869 1.00 0.00 H new ATOM 361 N ARG A 158 -7.762 14.292 -10.602 1.00 0.00 N ATOM 362 CA ARG A 158 -9.157 14.714 -10.498 1.00 0.00 C ATOM 363 C ARG A 158 -9.826 14.099 -9.270 1.00 0.00 C ATOM 364 O ARG A 158 -10.888 13.482 -9.370 1.00 0.00 O ATOM 365 CB ARG A 158 -9.923 14.328 -11.764 1.00 0.00 C ATOM 366 CG ARG A 158 -9.428 15.043 -13.010 1.00 0.00 C ATOM 367 CD ARG A 158 -10.493 15.077 -14.093 1.00 0.00 C ATOM 368 NE ARG A 158 -9.925 15.368 -15.409 1.00 0.00 N ATOM 369 CZ ARG A 158 -10.656 15.661 -16.483 1.00 0.00 C ATOM 370 NH1 ARG A 158 -11.981 15.701 -16.403 1.00 0.00 N ATOM 371 NH2 ARG A 158 -10.062 15.913 -17.640 1.00 0.00 N ATOM 0 H ARG A 158 -7.096 15.059 -10.696 1.00 0.00 H new ATOM 0 HA ARG A 158 -9.175 15.798 -10.389 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -9.841 13.252 -11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -10.981 14.551 -11.622 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -9.135 16.061 -12.754 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -8.538 14.541 -13.389 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -11.009 14.117 -14.125 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -11.239 15.832 -13.845 1.00 0.00 H new ATOM 0 HE ARG A 158 -8.910 15.345 -15.510 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -12.444 15.507 -15.515 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -12.535 15.926 -17.229 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -9.045 15.883 -17.708 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -10.622 16.137 -18.463 1.00 0.00 H new ATOM 385 N VAL A 159 -9.195 14.276 -8.115 1.00 0.00 N ATOM 386 CA VAL A 159 -9.720 13.746 -6.862 1.00 0.00 C ATOM 387 C VAL A 159 -9.319 14.634 -5.689 1.00 0.00 C ATOM 388 O VAL A 159 -8.241 15.230 -5.690 1.00 0.00 O ATOM 389 CB VAL A 159 -9.220 12.309 -6.608 1.00 0.00 C ATOM 390 CG1 VAL A 159 -7.700 12.272 -6.563 1.00 0.00 C ATOM 391 CG2 VAL A 159 -9.816 11.750 -5.325 1.00 0.00 C ATOM 0 H VAL A 159 -8.316 14.784 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 159 -10.807 13.730 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 159 -9.550 11.679 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -7.366 11.250 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -7.299 12.622 -7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -7.344 12.917 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -9.450 10.736 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -9.523 12.378 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -10.903 11.735 -5.405 1.00 0.00 H new ATOM 401 N CYS A 160 -10.192 14.726 -4.691 1.00 0.00 N ATOM 402 CA CYS A 160 -9.922 15.549 -3.518 1.00 0.00 C ATOM 403 C CYS A 160 -9.175 14.756 -2.449 1.00 0.00 C ATOM 404 O CYS A 160 -9.055 13.533 -2.536 1.00 0.00 O ATOM 405 CB CYS A 160 -11.231 16.114 -2.951 1.00 0.00 C ATOM 406 SG CYS A 160 -12.247 14.910 -2.059 1.00 0.00 S ATOM 0 H CYS A 160 -11.090 14.242 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 160 -9.286 16.379 -3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -10.994 16.939 -2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -11.818 16.529 -3.771 1.00 0.00 H new ATOM 0 HG CYS A 160 -12.324 13.811 -2.749 1.00 0.00 H new ATOM 411 N LEU A 161 -8.672 15.462 -1.441 1.00 0.00 N ATOM 412 CA LEU A 161 -7.932 14.830 -0.353 1.00 0.00 C ATOM 413 C LEU A 161 -8.836 13.919 0.470 1.00 0.00 C ATOM 414 O LEU A 161 -8.409 12.860 0.932 1.00 0.00 O ATOM 415 CB LEU A 161 -7.307 15.896 0.549 1.00 0.00 C ATOM 416 CG LEU A 161 -6.360 15.361 1.625 1.00 0.00 C ATOM 417 CD1 LEU A 161 -5.201 16.321 1.841 1.00 0.00 C ATOM 418 CD2 LEU A 161 -7.113 15.129 2.927 1.00 0.00 C ATOM 0 H LEU A 161 -8.763 16.474 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 161 -7.141 14.221 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 161 -6.761 16.603 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 161 -8.108 16.453 1.036 1.00 0.00 H new ATOM 0 HG LEU A 161 -5.955 14.407 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 161 -4.538 15.924 2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 161 -4.647 16.438 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 161 -5.586 17.290 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 161 -6.425 14.748 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 161 -7.545 16.069 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 161 -7.909 14.403 2.762 1.00 0.00 H new ATOM 430 N ARG A 162 -10.085 14.336 0.653 1.00 0.00 N ATOM 431 CA ARG A 162 -11.045 13.555 1.426 1.00 0.00 C ATOM 432 C ARG A 162 -11.215 12.157 0.839 1.00 0.00 C ATOM 433 O ARG A 162 -11.457 11.193 1.565 1.00 0.00 O ATOM 434 CB ARG A 162 -12.397 14.268 1.470 1.00 0.00 C ATOM 435 CG ARG A 162 -13.400 13.613 2.407 1.00 0.00 C ATOM 436 CD ARG A 162 -14.216 14.647 3.168 1.00 0.00 C ATOM 437 NE ARG A 162 -14.334 14.315 4.586 1.00 0.00 N ATOM 438 CZ ARG A 162 -14.912 15.107 5.487 1.00 0.00 C ATOM 439 NH1 ARG A 162 -15.426 16.274 5.122 1.00 0.00 N ATOM 440 NH2 ARG A 162 -14.977 14.730 6.757 1.00 0.00 N ATOM 0 H ARG A 162 -10.456 15.209 0.277 1.00 0.00 H new ATOM 0 HA ARG A 162 -10.658 13.457 2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -12.243 15.302 1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -12.816 14.296 0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -14.069 12.972 1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -12.873 12.973 3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -13.749 15.626 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -15.211 14.719 2.728 1.00 0.00 H new ATOM 0 HE ARG A 162 -13.951 13.425 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -15.380 16.569 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -15.868 16.876 5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -14.584 13.833 7.044 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -15.420 15.337 7.447 1.00 0.00 H new ATOM 454 N CYS A 163 -11.087 12.054 -0.481 1.00 0.00 N ATOM 455 CA CYS A 163 -11.225 10.773 -1.162 1.00 0.00 C ATOM 456 C CYS A 163 -9.923 9.982 -1.102 1.00 0.00 C ATOM 457 O CYS A 163 -9.933 8.751 -1.084 1.00 0.00 O ATOM 458 CB CYS A 163 -11.639 10.987 -2.620 1.00 0.00 C ATOM 459 SG CYS A 163 -13.415 11.237 -2.854 1.00 0.00 S ATOM 0 H CYS A 163 -10.888 12.841 -1.098 1.00 0.00 H new ATOM 0 HA CYS A 163 -12.000 10.201 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -11.106 11.852 -3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -11.324 10.124 -3.206 1.00 0.00 H new ATOM 0 HG CYS A 163 -13.611 12.056 -3.844 1.00 0.00 H new ATOM 464 N ALA A 164 -8.803 10.697 -1.072 1.00 0.00 N ATOM 465 CA ALA A 164 -7.491 10.062 -1.014 1.00 0.00 C ATOM 466 C ALA A 164 -7.283 9.356 0.322 1.00 0.00 C ATOM 467 O ALA A 164 -6.790 8.230 0.369 1.00 0.00 O ATOM 468 CB ALA A 164 -6.397 11.092 -1.246 1.00 0.00 C ATOM 0 H ALA A 164 -8.778 11.717 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 164 -7.441 9.312 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 164 -5.423 10.605 -1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 164 -6.529 11.548 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 164 -6.454 11.863 -0.477 1.00 0.00 H new ATOM 474 N THR A 165 -7.660 10.028 1.406 1.00 0.00 N ATOM 475 CA THR A 165 -7.513 9.464 2.742 1.00 0.00 C ATOM 476 C THR A 165 -8.646 8.492 3.058 1.00 0.00 C ATOM 477 O THR A 165 -8.467 7.540 3.819 1.00 0.00 O ATOM 478 CB THR A 165 -7.484 10.566 3.818 1.00 0.00 C ATOM 479 OG1 THR A 165 -8.673 11.361 3.738 1.00 0.00 O ATOM 480 CG2 THR A 165 -6.263 11.456 3.648 1.00 0.00 C ATOM 0 H THR A 165 -8.069 10.962 1.385 1.00 0.00 H new ATOM 0 HA THR A 165 -6.564 8.928 2.755 1.00 0.00 H new ATOM 0 HB THR A 165 -7.432 10.086 4.795 1.00 0.00 H new ATOM 0 HG1 THR A 165 -8.647 12.058 4.426 1.00 0.00 H new ATOM 0 HG21 THR A 165 -6.264 12.227 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 165 -5.359 10.854 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 165 -6.290 11.926 2.665 1.00 0.00 H new ATOM 488 N ALA A 166 -9.812 8.738 2.469 1.00 0.00 N ATOM 489 CA ALA A 166 -10.974 7.885 2.688 1.00 0.00 C ATOM 490 C ALA A 166 -10.682 6.444 2.281 1.00 0.00 C ATOM 491 O ALA A 166 -9.857 6.192 1.404 1.00 0.00 O ATOM 492 CB ALA A 166 -12.174 8.420 1.919 1.00 0.00 C ATOM 0 H ALA A 166 -9.977 9.521 1.837 1.00 0.00 H new ATOM 0 HA ALA A 166 -11.205 7.894 3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 166 -13.034 7.773 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 166 -12.404 9.429 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 166 -11.944 8.441 0.854 1.00 0.00 H new ATOM 498 N SER A 167 -11.365 5.503 2.925 1.00 0.00 N ATOM 499 CA SER A 167 -11.180 4.087 2.631 1.00 0.00 C ATOM 500 C SER A 167 -11.762 3.733 1.267 1.00 0.00 C ATOM 501 O SER A 167 -11.211 2.904 0.543 1.00 0.00 O ATOM 502 CB SER A 167 -11.833 3.228 3.715 1.00 0.00 C ATOM 503 OG SER A 167 -12.962 3.882 4.271 1.00 0.00 O ATOM 0 H SER A 167 -12.052 5.696 3.654 1.00 0.00 H new ATOM 0 HA SER A 167 -10.109 3.884 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 167 -12.135 2.270 3.292 1.00 0.00 H new ATOM 0 HB3 SER A 167 -11.108 3.015 4.501 1.00 0.00 H new ATOM 0 HG SER A 167 -13.363 3.313 4.960 1.00 0.00 H new ATOM 509 N PHE A 168 -12.878 4.368 0.921 1.00 0.00 N ATOM 510 CA PHE A 168 -13.533 4.119 -0.357 1.00 0.00 C ATOM 511 C PHE A 168 -14.540 5.219 -0.674 1.00 0.00 C ATOM 512 O PHE A 168 -14.798 6.096 0.150 1.00 0.00 O ATOM 513 CB PHE A 168 -14.234 2.759 -0.338 1.00 0.00 C ATOM 514 CG PHE A 168 -15.325 2.660 0.690 1.00 0.00 C ATOM 515 CD1 PHE A 168 -16.533 3.311 0.502 1.00 0.00 C ATOM 516 CD2 PHE A 168 -15.141 1.914 1.843 1.00 0.00 C ATOM 517 CE1 PHE A 168 -17.538 3.221 1.446 1.00 0.00 C ATOM 518 CE2 PHE A 168 -16.143 1.820 2.790 1.00 0.00 C ATOM 519 CZ PHE A 168 -17.343 2.474 2.592 1.00 0.00 C ATOM 0 H PHE A 168 -13.347 5.058 1.508 1.00 0.00 H new ATOM 0 HA PHE A 168 -12.769 4.115 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -14.656 2.563 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -13.495 1.981 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -16.691 3.895 -0.392 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -14.205 1.401 2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -18.475 3.734 1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -15.988 1.235 3.685 1.00 0.00 H new ATOM 0 HZ PHE A 168 -18.127 2.402 3.331 1.00 0.00 H new ATOM 529 N VAL A 169 -15.108 5.167 -1.876 1.00 0.00 N ATOM 530 CA VAL A 169 -16.086 6.158 -2.302 1.00 0.00 C ATOM 531 C VAL A 169 -17.284 5.495 -2.972 1.00 0.00 C ATOM 532 O VAL A 169 -17.139 4.504 -3.687 1.00 0.00 O ATOM 533 CB VAL A 169 -15.467 7.176 -3.280 1.00 0.00 C ATOM 534 CG1 VAL A 169 -14.398 8.004 -2.583 1.00 0.00 C ATOM 535 CG2 VAL A 169 -14.892 6.464 -4.496 1.00 0.00 C ATOM 0 H VAL A 169 -14.906 4.448 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 169 -16.416 6.681 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 169 -16.252 7.851 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 169 -13.972 8.717 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 169 -14.843 8.543 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 169 -13.612 7.346 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 169 -14.459 7.198 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 169 -14.119 5.765 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 169 -15.685 5.919 -5.007 1.00 0.00 H new ATOM 545 N VAL A 170 -18.469 6.048 -2.734 1.00 0.00 N ATOM 546 CA VAL A 170 -19.693 5.510 -3.314 1.00 0.00 C ATOM 547 C VAL A 170 -19.906 6.037 -4.730 1.00 0.00 C ATOM 548 O VAL A 170 -20.855 6.776 -4.995 1.00 0.00 O ATOM 549 CB VAL A 170 -20.924 5.859 -2.454 1.00 0.00 C ATOM 550 CG1 VAL A 170 -22.163 5.155 -2.984 1.00 0.00 C ATOM 551 CG2 VAL A 170 -20.677 5.494 -0.998 1.00 0.00 C ATOM 0 H VAL A 170 -18.607 6.868 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 170 -19.580 4.426 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 170 -21.093 6.934 -2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 170 -23.022 5.414 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 170 -22.349 5.470 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 170 -22.008 4.076 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 170 -21.556 5.747 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 170 -20.482 4.425 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 170 -19.816 6.048 -0.625 1.00 0.00 H new ATOM 561 N LEU A 171 -19.013 5.652 -5.638 1.00 0.00 N ATOM 562 CA LEU A 171 -19.101 6.085 -7.028 1.00 0.00 C ATOM 563 C LEU A 171 -20.452 5.711 -7.632 1.00 0.00 C ATOM 564 O LEU A 171 -21.356 5.269 -6.925 1.00 0.00 O ATOM 565 CB LEU A 171 -17.966 5.467 -7.846 1.00 0.00 C ATOM 566 CG LEU A 171 -17.392 6.371 -8.943 1.00 0.00 C ATOM 567 CD1 LEU A 171 -15.959 6.764 -8.620 1.00 0.00 C ATOM 568 CD2 LEU A 171 -17.464 5.683 -10.298 1.00 0.00 C ATOM 0 H LEU A 171 -18.221 5.042 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 171 -19.006 7.171 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -17.160 5.187 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -18.329 4.548 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 171 -17.995 7.278 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 171 -15.571 7.405 -9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 171 -15.934 7.301 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 171 -15.344 5.867 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 171 -17.052 6.341 -11.063 1.00 0.00 H new ATOM 0 HD22 LEU A 171 -16.889 4.758 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 171 -18.503 5.456 -10.536 1.00 0.00 H new ATOM 580 N ASP A 172 -20.583 5.898 -8.944 1.00 0.00 N ATOM 581 CA ASP A 172 -21.827 5.584 -9.642 1.00 0.00 C ATOM 582 C ASP A 172 -22.266 4.146 -9.377 1.00 0.00 C ATOM 583 O ASP A 172 -21.893 3.229 -10.107 1.00 0.00 O ATOM 584 CB ASP A 172 -21.660 5.807 -11.146 1.00 0.00 C ATOM 585 CG ASP A 172 -22.975 5.715 -11.894 1.00 0.00 C ATOM 586 OD1 ASP A 172 -23.801 6.643 -11.761 1.00 0.00 O ATOM 587 OD2 ASP A 172 -23.181 4.715 -12.613 1.00 0.00 O ATOM 0 H ASP A 172 -19.844 6.265 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 172 -22.600 6.251 -9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 172 -21.215 6.787 -11.318 1.00 0.00 H new ATOM 0 HB3 ASP A 172 -20.966 5.068 -11.545 1.00 0.00 H new ATOM 592 N GLY A 173 -23.062 3.960 -8.327 1.00 0.00 N ATOM 593 CA GLY A 173 -23.543 2.634 -7.982 1.00 0.00 C ATOM 594 C GLY A 173 -22.426 1.614 -7.854 1.00 0.00 C ATOM 595 O GLY A 173 -22.656 0.414 -7.995 1.00 0.00 O ATOM 0 H GLY A 173 -23.382 4.705 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -24.091 2.685 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -24.248 2.300 -8.743 1.00 0.00 H new ATOM 599 N GLU A 174 -21.214 2.092 -7.585 1.00 0.00 N ATOM 600 CA GLU A 174 -20.063 1.209 -7.440 1.00 0.00 C ATOM 601 C GLU A 174 -19.049 1.790 -6.461 1.00 0.00 C ATOM 602 O GLU A 174 -18.681 2.961 -6.557 1.00 0.00 O ATOM 603 CB GLU A 174 -19.397 0.974 -8.798 1.00 0.00 C ATOM 604 CG GLU A 174 -20.220 0.110 -9.741 1.00 0.00 C ATOM 605 CD GLU A 174 -20.179 -1.360 -9.370 1.00 0.00 C ATOM 606 OE1 GLU A 174 -20.222 -1.669 -8.160 1.00 0.00 O ATOM 607 OE2 GLU A 174 -20.101 -2.202 -10.288 1.00 0.00 O ATOM 0 H GLU A 174 -21.005 3.083 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 174 -20.418 0.257 -7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -19.210 1.937 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -18.427 0.502 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -21.254 0.454 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -19.850 0.235 -10.759 1.00 0.00 H new ATOM 614 N ASN A 175 -18.598 0.963 -5.523 1.00 0.00 N ATOM 615 CA ASN A 175 -17.622 1.395 -4.529 1.00 0.00 C ATOM 616 C ASN A 175 -16.203 1.247 -5.067 1.00 0.00 C ATOM 617 O ASN A 175 -15.631 0.159 -5.047 1.00 0.00 O ATOM 618 CB ASN A 175 -17.780 0.585 -3.240 1.00 0.00 C ATOM 619 CG ASN A 175 -19.069 0.907 -2.509 1.00 0.00 C ATOM 620 OD1 ASN A 175 -19.458 2.071 -2.399 1.00 0.00 O ATOM 621 ND2 ASN A 175 -19.736 -0.122 -2.002 1.00 0.00 N ATOM 0 H ASN A 175 -18.893 -0.009 -5.431 1.00 0.00 H new ATOM 0 HA ASN A 175 -17.803 2.447 -4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -17.756 -0.479 -3.477 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -16.933 0.784 -2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -20.608 0.035 -1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -19.376 -1.070 -2.117 1.00 0.00 H new ATOM 628 N LYS A 176 -15.643 2.350 -5.553 1.00 0.00 N ATOM 629 CA LYS A 176 -14.294 2.342 -6.103 1.00 0.00 C ATOM 630 C LYS A 176 -13.271 2.760 -5.052 1.00 0.00 C ATOM 631 O LYS A 176 -13.602 3.455 -4.091 1.00 0.00 O ATOM 632 CB LYS A 176 -14.208 3.275 -7.312 1.00 0.00 C ATOM 633 CG LYS A 176 -15.256 2.988 -8.376 1.00 0.00 C ATOM 634 CD LYS A 176 -14.683 3.124 -9.777 1.00 0.00 C ATOM 635 CE LYS A 176 -15.336 2.149 -10.744 1.00 0.00 C ATOM 636 NZ LYS A 176 -15.575 2.767 -12.078 1.00 0.00 N ATOM 0 H LYS A 176 -16.103 3.260 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 176 -14.066 1.324 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 176 -14.318 4.305 -6.974 1.00 0.00 H new ATOM 0 HB3 LYS A 176 -13.217 3.189 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 176 -15.648 1.980 -8.239 1.00 0.00 H new ATOM 0 HG3 LYS A 176 -16.094 3.675 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 176 -14.829 4.144 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 176 -13.608 2.946 -9.750 1.00 0.00 H new ATOM 0 HE2 LYS A 176 -14.700 1.271 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 176 -16.283 1.805 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 -16.021 2.070 -12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 -16.202 3.590 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 -14.669 3.073 -12.486 1.00 0.00 H new ATOM 650 N ARG A 177 -12.027 2.333 -5.244 1.00 0.00 N ATOM 651 CA ARG A 177 -10.952 2.663 -4.315 1.00 0.00 C ATOM 652 C ARG A 177 -9.809 3.368 -5.039 1.00 0.00 C ATOM 653 O ARG A 177 -9.434 2.984 -6.147 1.00 0.00 O ATOM 654 CB ARG A 177 -10.436 1.397 -3.628 1.00 0.00 C ATOM 655 CG ARG A 177 -10.139 1.585 -2.149 1.00 0.00 C ATOM 656 CD ARG A 177 -8.782 2.235 -1.932 1.00 0.00 C ATOM 657 NE ARG A 177 -8.757 3.063 -0.729 1.00 0.00 N ATOM 658 CZ ARG A 177 -7.659 3.641 -0.249 1.00 0.00 C ATOM 659 NH1 ARG A 177 -6.495 3.487 -0.868 1.00 0.00 N ATOM 660 NH2 ARG A 177 -7.723 4.377 0.852 1.00 0.00 N ATOM 0 H ARG A 177 -11.738 1.757 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 177 -11.351 3.339 -3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -11.175 0.604 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -9.529 1.064 -4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -10.916 2.202 -1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -10.165 0.619 -1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -8.018 1.462 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -8.531 2.847 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 177 -9.633 3.207 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -6.439 2.923 -1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -5.656 3.932 -0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -8.615 4.500 1.332 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -6.881 4.820 1.219 1.00 0.00 H new ATOM 674 N TYR A 178 -9.261 4.401 -4.408 1.00 0.00 N ATOM 675 CA TYR A 178 -8.163 5.160 -4.995 1.00 0.00 C ATOM 676 C TYR A 178 -6.911 4.299 -5.129 1.00 0.00 C ATOM 677 O TYR A 178 -6.228 4.020 -4.144 1.00 0.00 O ATOM 678 CB TYR A 178 -7.857 6.394 -4.143 1.00 0.00 C ATOM 679 CG TYR A 178 -6.765 7.270 -4.716 1.00 0.00 C ATOM 680 CD1 TYR A 178 -7.057 8.267 -5.638 1.00 0.00 C ATOM 681 CD2 TYR A 178 -5.439 7.100 -4.334 1.00 0.00 C ATOM 682 CE1 TYR A 178 -6.061 9.069 -6.163 1.00 0.00 C ATOM 683 CE2 TYR A 178 -4.438 7.898 -4.853 1.00 0.00 C ATOM 684 CZ TYR A 178 -4.754 8.879 -5.768 1.00 0.00 C ATOM 685 OH TYR A 178 -3.760 9.676 -6.289 1.00 0.00 O ATOM 0 H TYR A 178 -9.559 4.732 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 178 -8.469 5.479 -5.991 1.00 0.00 H new ATOM 0 HB2 TYR A 178 -8.766 6.985 -4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 178 -7.566 6.072 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 178 -8.080 8.418 -5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 178 -5.187 6.331 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 178 -6.305 9.840 -6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 178 -3.413 7.754 -4.543 1.00 0.00 H new ATOM 0 HH TYR A 178 -3.064 9.815 -5.613 1.00 0.00 H new ATOM 695 N CYS A 179 -6.615 3.884 -6.357 1.00 0.00 N ATOM 696 CA CYS A 179 -5.443 3.058 -6.623 1.00 0.00 C ATOM 697 C CYS A 179 -4.166 3.888 -6.535 1.00 0.00 C ATOM 698 O CYS A 179 -3.948 4.794 -7.338 1.00 0.00 O ATOM 699 CB CYS A 179 -5.553 2.411 -8.006 1.00 0.00 C ATOM 700 SG CYS A 179 -4.346 1.100 -8.308 1.00 0.00 S ATOM 0 H CYS A 179 -7.171 4.106 -7.183 1.00 0.00 H new ATOM 0 HA CYS A 179 -5.399 2.274 -5.867 1.00 0.00 H new ATOM 0 HB2 CYS A 179 -6.556 2.001 -8.124 1.00 0.00 H new ATOM 0 HB3 CYS A 179 -5.433 3.183 -8.766 1.00 0.00 H new ATOM 0 HG CYS A 179 -4.378 0.761 -9.563 1.00 0.00 H new ATOM 705 N GLN A 180 -3.327 3.575 -5.555 1.00 0.00 N ATOM 706 CA GLN A 180 -2.073 4.297 -5.360 1.00 0.00 C ATOM 707 C GLN A 180 -1.047 3.954 -6.442 1.00 0.00 C ATOM 708 O GLN A 180 0.034 4.541 -6.487 1.00 0.00 O ATOM 709 CB GLN A 180 -1.492 3.984 -3.980 1.00 0.00 C ATOM 710 CG GLN A 180 -2.374 4.440 -2.829 1.00 0.00 C ATOM 711 CD GLN A 180 -1.577 5.018 -1.676 1.00 0.00 C ATOM 712 OE1 GLN A 180 -0.981 4.283 -0.888 1.00 0.00 O ATOM 713 NE2 GLN A 180 -1.562 6.342 -1.573 1.00 0.00 N ATOM 0 H GLN A 180 -3.491 2.826 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 180 -2.294 5.362 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -1.330 2.909 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -0.516 4.461 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -3.078 5.189 -3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -2.963 3.596 -2.471 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -2.071 6.912 -2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -1.042 6.789 -0.818 1.00 0.00 H new ATOM 722 N GLN A 181 -1.381 2.999 -7.306 1.00 0.00 N ATOM 723 CA GLN A 181 -0.473 2.588 -8.373 1.00 0.00 C ATOM 724 C GLN A 181 -0.799 3.292 -9.689 1.00 0.00 C ATOM 725 O GLN A 181 0.072 3.453 -10.545 1.00 0.00 O ATOM 726 CB GLN A 181 -0.538 1.072 -8.567 1.00 0.00 C ATOM 727 CG GLN A 181 0.349 0.298 -7.606 1.00 0.00 C ATOM 728 CD GLN A 181 0.114 -1.198 -7.672 1.00 0.00 C ATOM 729 OE1 GLN A 181 -0.304 -1.728 -8.702 1.00 0.00 O ATOM 730 NE2 GLN A 181 0.383 -1.888 -6.570 1.00 0.00 N ATOM 0 H GLN A 181 -2.269 2.497 -7.289 1.00 0.00 H new ATOM 0 HA GLN A 181 0.536 2.874 -8.077 1.00 0.00 H new ATOM 0 HB2 GLN A 181 -1.569 0.742 -8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 181 -0.248 0.832 -9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 181 1.394 0.508 -7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 181 0.167 0.646 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 181 0.728 -1.408 -5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 181 0.245 -2.898 -6.555 1.00 0.00 H new ATOM 739 N CYS A 182 -2.054 3.705 -9.853 1.00 0.00 N ATOM 740 CA CYS A 182 -2.476 4.380 -11.077 1.00 0.00 C ATOM 741 C CYS A 182 -3.106 5.739 -10.783 1.00 0.00 C ATOM 742 O CYS A 182 -3.072 6.643 -11.619 1.00 0.00 O ATOM 743 CB CYS A 182 -3.465 3.507 -11.849 1.00 0.00 C ATOM 744 SG CYS A 182 -2.956 1.780 -12.009 1.00 0.00 S ATOM 0 H CYS A 182 -2.791 3.585 -9.159 1.00 0.00 H new ATOM 0 HA CYS A 182 -1.586 4.545 -11.684 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -4.433 3.544 -11.349 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -3.604 3.928 -12.845 1.00 0.00 H new ATOM 0 HG CYS A 182 -3.847 1.126 -12.693 1.00 0.00 H new ATOM 749 N GLY A 183 -3.687 5.881 -9.597 1.00 0.00 N ATOM 750 CA GLY A 183 -4.317 7.134 -9.228 1.00 0.00 C ATOM 751 C GLY A 183 -5.809 7.128 -9.488 1.00 0.00 C ATOM 752 O GLY A 183 -6.594 7.588 -8.658 1.00 0.00 O ATOM 0 H GLY A 183 -3.733 5.152 -8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 183 -4.136 7.331 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -3.857 7.948 -9.788 1.00 0.00 H new ATOM 756 N LYS A 184 -6.203 6.606 -10.645 1.00 0.00 N ATOM 757 CA LYS A 184 -7.611 6.540 -11.016 1.00 0.00 C ATOM 758 C LYS A 184 -8.405 5.722 -10.002 1.00 0.00 C ATOM 759 O LYS A 184 -7.856 5.243 -9.010 1.00 0.00 O ATOM 760 CB LYS A 184 -7.764 5.930 -12.412 1.00 0.00 C ATOM 761 CG LYS A 184 -6.987 6.671 -13.489 1.00 0.00 C ATOM 762 CD LYS A 184 -7.687 7.958 -13.893 1.00 0.00 C ATOM 763 CE LYS A 184 -7.065 8.560 -15.143 1.00 0.00 C ATOM 764 NZ LYS A 184 -6.046 9.595 -14.814 1.00 0.00 N ATOM 0 H LYS A 184 -5.565 6.222 -11.343 1.00 0.00 H new ATOM 0 HA LYS A 184 -8.006 7.556 -11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 184 -7.431 4.892 -12.384 1.00 0.00 H new ATOM 0 HB3 LYS A 184 -8.820 5.919 -12.681 1.00 0.00 H new ATOM 0 HG2 LYS A 184 -5.985 6.899 -13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 184 -6.870 6.029 -14.362 1.00 0.00 H new ATOM 0 HD2 LYS A 184 -8.744 7.759 -14.071 1.00 0.00 H new ATOM 0 HD3 LYS A 184 -7.631 8.676 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 184 -6.602 7.770 -15.734 1.00 0.00 H new ATOM 0 HE3 LYS A 184 -7.847 9.003 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 184 -5.646 9.980 -15.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 184 -6.493 10.362 -14.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 184 -5.287 9.167 -14.247 1.00 0.00 H new ATOM 778 N PHE A 185 -9.700 5.567 -10.259 1.00 0.00 N ATOM 779 CA PHE A 185 -10.571 4.808 -9.370 1.00 0.00 C ATOM 780 C PHE A 185 -10.873 3.429 -9.950 1.00 0.00 C ATOM 781 O PHE A 185 -11.391 3.312 -11.060 1.00 0.00 O ATOM 782 CB PHE A 185 -11.877 5.567 -9.129 1.00 0.00 C ATOM 783 CG PHE A 185 -11.718 6.767 -8.238 1.00 0.00 C ATOM 784 CD1 PHE A 185 -11.099 6.654 -7.004 1.00 0.00 C ATOM 785 CD2 PHE A 185 -12.189 8.008 -8.637 1.00 0.00 C ATOM 786 CE1 PHE A 185 -10.953 7.757 -6.184 1.00 0.00 C ATOM 787 CE2 PHE A 185 -12.046 9.114 -7.821 1.00 0.00 C ATOM 788 CZ PHE A 185 -11.427 8.988 -6.593 1.00 0.00 C ATOM 0 H PHE A 185 -10.169 5.957 -11.076 1.00 0.00 H new ATOM 0 HA PHE A 185 -10.053 4.679 -8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -12.284 5.888 -10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -12.605 4.889 -8.685 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -10.726 5.694 -6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -12.673 8.112 -9.597 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -10.469 7.656 -5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -12.418 10.075 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 185 -11.314 9.851 -5.953 1.00 0.00 H new ATOM 798 N HIS A 186 -10.543 2.389 -9.193 1.00 0.00 N ATOM 799 CA HIS A 186 -10.778 1.017 -9.631 1.00 0.00 C ATOM 800 C HIS A 186 -11.961 0.405 -8.887 1.00 0.00 C ATOM 801 O HIS A 186 -12.579 1.053 -8.044 1.00 0.00 O ATOM 802 CB HIS A 186 -9.527 0.168 -9.406 1.00 0.00 C ATOM 803 CG HIS A 186 -8.412 0.479 -10.355 1.00 0.00 C ATOM 804 ND1 HIS A 186 -8.617 0.979 -11.623 1.00 0.00 N ATOM 805 CD2 HIS A 186 -7.070 0.358 -10.213 1.00 0.00 C ATOM 806 CE1 HIS A 186 -7.453 1.152 -12.221 1.00 0.00 C ATOM 807 NE2 HIS A 186 -6.498 0.784 -11.386 1.00 0.00 N ATOM 0 H HIS A 186 -10.112 2.469 -8.272 1.00 0.00 H new ATOM 0 HA HIS A 186 -11.010 1.036 -10.696 1.00 0.00 H new ATOM 0 HB2 HIS A 186 -9.176 0.317 -8.385 1.00 0.00 H new ATOM 0 HB3 HIS A 186 -9.791 -0.885 -9.502 1.00 0.00 H new ATOM 0 HD2 HIS A 186 -6.548 -0.006 -9.340 1.00 0.00 H new ATOM 0 HE1 HIS A 186 -7.307 1.530 -13.222 1.00 0.00 H new ATOM 0 HE2 HIS A 186 -5.497 0.812 -11.581 1.00 0.00 H new ATOM 815 N LEU A 187 -12.268 -0.850 -9.203 1.00 0.00 N ATOM 816 CA LEU A 187 -13.376 -1.549 -8.562 1.00 0.00 C ATOM 817 C LEU A 187 -12.910 -2.252 -7.290 1.00 0.00 C ATOM 818 O LEU A 187 -11.825 -2.832 -7.254 1.00 0.00 O ATOM 819 CB LEU A 187 -13.994 -2.563 -9.528 1.00 0.00 C ATOM 820 CG LEU A 187 -15.520 -2.515 -9.627 1.00 0.00 C ATOM 821 CD1 LEU A 187 -15.972 -1.209 -10.264 1.00 0.00 C ATOM 822 CD2 LEU A 187 -16.041 -3.705 -10.419 1.00 0.00 C ATOM 0 H LEU A 187 -11.766 -1.402 -9.898 1.00 0.00 H new ATOM 0 HA LEU A 187 -14.132 -0.813 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 187 -13.575 -2.398 -10.521 1.00 0.00 H new ATOM 0 HB3 LEU A 187 -13.696 -3.565 -9.219 1.00 0.00 H new ATOM 0 HG LEU A 187 -15.932 -2.567 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 187 -17.060 -1.192 -10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 187 -15.630 -0.371 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 187 -15.550 -1.127 -11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 187 -17.128 -3.654 -10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 187 -15.621 -3.685 -11.424 1.00 0.00 H new ATOM 0 HD23 LEU A 187 -15.748 -4.630 -9.922 1.00 0.00 H new ATOM 834 N LEU A 188 -13.733 -2.192 -6.249 1.00 0.00 N ATOM 835 CA LEU A 188 -13.401 -2.820 -4.975 1.00 0.00 C ATOM 836 C LEU A 188 -13.220 -4.337 -5.109 1.00 0.00 C ATOM 837 O LEU A 188 -12.301 -4.900 -4.516 1.00 0.00 O ATOM 838 CB LEU A 188 -14.469 -2.501 -3.922 1.00 0.00 C ATOM 839 CG LEU A 188 -13.974 -1.677 -2.733 1.00 0.00 C ATOM 840 CD1 LEU A 188 -13.584 -0.277 -3.180 1.00 0.00 C ATOM 841 CD2 LEU A 188 -15.039 -1.614 -1.649 1.00 0.00 C ATOM 0 H LEU A 188 -14.635 -1.715 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 188 -12.447 -2.405 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -15.285 -1.962 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -14.882 -3.438 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 188 -13.091 -2.164 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -13.234 0.295 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -12.788 -0.340 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -14.450 0.219 -3.618 1.00 0.00 H new ATOM 0 HD21 LEU A 188 -14.670 -1.024 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 188 -15.940 -1.150 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 188 -15.271 -2.623 -1.308 1.00 0.00 H new ATOM 853 N PRO A 189 -14.085 -5.038 -5.879 1.00 0.00 N ATOM 854 CA PRO A 189 -13.968 -6.492 -6.045 1.00 0.00 C ATOM 855 C PRO A 189 -12.717 -6.897 -6.818 1.00 0.00 C ATOM 856 O PRO A 189 -12.357 -8.073 -6.859 1.00 0.00 O ATOM 857 CB PRO A 189 -15.227 -6.870 -6.828 1.00 0.00 C ATOM 858 CG PRO A 189 -15.620 -5.627 -7.543 1.00 0.00 C ATOM 859 CD PRO A 189 -15.229 -4.490 -6.640 1.00 0.00 C ATOM 0 HA PRO A 189 -13.881 -6.999 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 189 -15.028 -7.682 -7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 189 -16.020 -7.210 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 189 -15.113 -5.553 -8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 189 -16.691 -5.615 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 189 -14.947 -3.604 -7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 189 -16.048 -4.199 -5.982 1.00 0.00 H new ATOM 867 N ASP A 190 -12.055 -5.920 -7.432 1.00 0.00 N ATOM 868 CA ASP A 190 -10.845 -6.186 -8.201 1.00 0.00 C ATOM 869 C ASP A 190 -9.596 -5.954 -7.354 1.00 0.00 C ATOM 870 O ASP A 190 -8.610 -5.386 -7.826 1.00 0.00 O ATOM 871 CB ASP A 190 -10.804 -5.299 -9.448 1.00 0.00 C ATOM 872 CG ASP A 190 -11.506 -5.934 -10.633 1.00 0.00 C ATOM 873 OD1 ASP A 190 -11.363 -7.159 -10.822 1.00 0.00 O ATOM 874 OD2 ASP A 190 -12.203 -5.204 -11.370 1.00 0.00 O ATOM 0 H ASP A 190 -12.336 -4.940 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 190 -10.862 -7.232 -8.507 1.00 0.00 H new ATOM 0 HB2 ASP A 190 -11.271 -4.340 -9.224 1.00 0.00 H new ATOM 0 HB3 ASP A 190 -9.766 -5.094 -9.711 1.00 0.00 H new