USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 23:sc= 0.218 USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 134 LYS NZ :NH3+ 159:sc= -0.0776 (180deg=-0.465) USER MOD Single : A 136 GLN : amide:sc= -0.714 K(o=-0.71,f=-2.4!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.884 K(o=-0.88,f=-5.5!) USER MOD Single : A 142 GLN : amide:sc= 0.0589 X(o=0.059,f=-0.068) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 151 MET CE :methyl 144:sc=-0.00851 (180deg=-0.475) USER MOD Single : A 152 LYS NZ :NH3+ 164:sc= -0.0857 (180deg=-0.33) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot -13:sc= 1.08 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 SER OG : rot -21:sc= 0.919 USER MOD Single : A 169 SER OG : rot -17:sc= 0.27 USER MOD Single : A 170 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.72) USER MOD Single : A 173 LYS NZ :NH3+ 165:sc= -0.0531 (180deg=-0.347) USER MOD Single : A 175 HIS : no HD1:sc=-0.00292 X(o=-0.0029,f=0) USER MOD Single : A 180 MET CE :methyl -140:sc= -0.136 (180deg=-0.709) USER MOD Single : A 183 ASN : amide:sc= -0.357 K(o=-0.36,f=-4.2!) USER MOD Single : A 184 THR OG1 : rot -6:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -5.516 9.934 3.732 1.00 0.00 N ATOM 129 CA ALA A 126 -5.025 8.597 3.426 1.00 0.00 C ATOM 130 C ALA A 126 -3.675 8.660 2.718 1.00 0.00 C ATOM 131 O ALA A 126 -3.006 7.641 2.545 1.00 0.00 O ATOM 132 CB ALA A 126 -6.035 7.847 2.571 1.00 0.00 C ATOM 0 HA ALA A 126 -4.891 8.061 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.655 6.850 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.979 7.765 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.196 8.389 1.639 1.00 0.00 H new ATOM 138 N LEU A 127 -3.284 9.862 2.307 1.00 0.00 N ATOM 139 CA LEU A 127 -2.014 10.061 1.619 1.00 0.00 C ATOM 140 C LEU A 127 -0.855 10.060 2.610 1.00 0.00 C ATOM 141 O LEU A 127 0.301 10.236 2.227 1.00 0.00 O ATOM 142 CB LEU A 127 -2.032 11.380 0.841 1.00 0.00 C ATOM 143 CG LEU A 127 -1.605 11.282 -0.627 1.00 0.00 C ATOM 144 CD1 LEU A 127 -1.762 12.629 -1.316 1.00 0.00 C ATOM 145 CD2 LEU A 127 -0.168 10.793 -0.739 1.00 0.00 C ATOM 0 H LEU A 127 -3.829 10.714 2.439 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.874 9.236 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.040 11.793 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.376 12.089 1.346 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.252 10.559 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.455 12.543 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.805 12.942 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.139 13.369 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 127 0.114 10.731 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 127 0.495 11.490 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -0.082 9.807 -0.281 1.00 0.00 H new ATOM 157 N SER A 128 -1.172 9.860 3.886 1.00 0.00 N ATOM 158 CA SER A 128 -0.155 9.839 4.932 1.00 0.00 C ATOM 159 C SER A 128 0.851 8.716 4.692 1.00 0.00 C ATOM 160 O SER A 128 2.053 8.960 4.581 1.00 0.00 O ATOM 161 CB SER A 128 -0.808 9.668 6.304 1.00 0.00 C ATOM 162 OG SER A 128 0.167 9.622 7.333 1.00 0.00 O ATOM 0 H SER A 128 -2.124 9.710 4.220 1.00 0.00 H new ATOM 0 HA SER A 128 0.376 10.790 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 128 -1.496 10.493 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.398 8.752 6.317 1.00 0.00 H new ATOM 0 HG SER A 128 -0.277 9.514 8.200 1.00 0.00 H new ATOM 168 N TYR A 129 0.349 7.488 4.614 1.00 0.00 N ATOM 169 CA TYR A 129 1.199 6.325 4.391 1.00 0.00 C ATOM 170 C TYR A 129 1.777 6.328 2.977 1.00 0.00 C ATOM 171 O TYR A 129 2.970 6.086 2.782 1.00 0.00 O ATOM 172 CB TYR A 129 0.402 5.041 4.629 1.00 0.00 C ATOM 173 CG TYR A 129 1.180 3.774 4.350 1.00 0.00 C ATOM 174 CD1 TYR A 129 2.085 3.272 5.278 1.00 0.00 C ATOM 175 CD2 TYR A 129 1.010 3.079 3.159 1.00 0.00 C ATOM 176 CE1 TYR A 129 2.797 2.114 5.027 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.716 1.920 2.901 1.00 0.00 C ATOM 178 CZ TYR A 129 2.609 1.443 3.837 1.00 0.00 C ATOM 179 OH TYR A 129 3.315 0.289 3.583 1.00 0.00 O ATOM 0 H TYR A 129 -0.644 7.273 4.702 1.00 0.00 H new ATOM 0 HA TYR A 129 2.029 6.370 5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 129 0.059 5.025 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.487 5.055 3.999 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.234 3.795 6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 129 0.314 3.451 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.496 1.737 5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.569 1.390 1.971 1.00 0.00 H new ATOM 0 HH TYR A 129 3.600 -0.113 4.430 1.00 0.00 H new ATOM 189 N LEU A 130 0.922 6.605 1.996 1.00 0.00 N ATOM 190 CA LEU A 130 1.341 6.638 0.599 1.00 0.00 C ATOM 191 C LEU A 130 2.493 7.616 0.394 1.00 0.00 C ATOM 192 O LEU A 130 3.354 7.405 -0.461 1.00 0.00 O ATOM 193 CB LEU A 130 0.160 7.017 -0.297 1.00 0.00 C ATOM 194 CG LEU A 130 -1.084 6.141 -0.133 1.00 0.00 C ATOM 195 CD1 LEU A 130 -2.213 6.646 -1.017 1.00 0.00 C ATOM 196 CD2 LEU A 130 -0.765 4.689 -0.455 1.00 0.00 C ATOM 0 H LEU A 130 -0.066 6.810 2.144 1.00 0.00 H new ATOM 0 HA LEU A 130 1.690 5.642 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -0.114 8.052 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.483 6.972 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.407 6.199 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -3.089 6.011 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.463 7.670 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -1.898 6.620 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.663 4.083 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.414 4.613 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.011 4.329 0.220 1.00 0.00 H new ATOM 208 N ASP A 131 2.502 8.688 1.182 1.00 0.00 N ATOM 209 CA ASP A 131 3.553 9.695 1.092 1.00 0.00 C ATOM 210 C ASP A 131 4.887 9.120 1.557 1.00 0.00 C ATOM 211 O ASP A 131 5.918 9.329 0.919 1.00 0.00 O ATOM 212 CB ASP A 131 3.190 10.921 1.932 1.00 0.00 C ATOM 213 CG ASP A 131 4.277 11.979 1.914 1.00 0.00 C ATOM 214 OD1 ASP A 131 4.297 12.793 0.966 1.00 0.00 O ATOM 215 OD2 ASP A 131 5.107 11.993 2.847 1.00 0.00 O ATOM 0 H ASP A 131 1.793 8.881 1.890 1.00 0.00 H new ATOM 0 HA ASP A 131 3.648 9.998 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.261 11.352 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 131 3.006 10.611 2.961 1.00 0.00 H new ATOM 220 N GLN A 132 4.857 8.397 2.673 1.00 0.00 N ATOM 221 CA GLN A 132 6.064 7.789 3.222 1.00 0.00 C ATOM 222 C GLN A 132 6.672 6.804 2.230 1.00 0.00 C ATOM 223 O GLN A 132 7.890 6.764 2.047 1.00 0.00 O ATOM 224 CB GLN A 132 5.753 7.076 4.540 1.00 0.00 C ATOM 225 CG GLN A 132 5.208 7.997 5.619 1.00 0.00 C ATOM 226 CD GLN A 132 4.916 7.264 6.914 1.00 0.00 C ATOM 227 OE1 GLN A 132 3.807 6.776 7.128 1.00 0.00 O ATOM 228 NE2 GLN A 132 5.915 7.181 7.784 1.00 0.00 N ATOM 0 H GLN A 132 4.011 8.218 3.214 1.00 0.00 H new ATOM 0 HA GLN A 132 6.786 8.583 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 132 5.029 6.283 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.661 6.598 4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 132 5.927 8.793 5.810 1.00 0.00 H new ATOM 0 HG3 GLN A 132 4.295 8.472 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 132 6.818 7.601 7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 132 5.779 6.698 8.672 1.00 0.00 H new ATOM 237 N VAL A 133 5.817 6.011 1.592 1.00 0.00 N ATOM 238 CA VAL A 133 6.272 5.028 0.614 1.00 0.00 C ATOM 239 C VAL A 133 6.825 5.715 -0.630 1.00 0.00 C ATOM 240 O VAL A 133 7.793 5.248 -1.230 1.00 0.00 O ATOM 241 CB VAL A 133 5.136 4.074 0.198 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.666 2.976 -0.711 1.00 0.00 C ATOM 243 CG2 VAL A 133 4.456 3.481 1.423 1.00 0.00 C ATOM 0 H VAL A 133 4.807 6.029 1.734 1.00 0.00 H new ATOM 0 HA VAL A 133 7.061 4.448 1.092 1.00 0.00 H new ATOM 0 HB VAL A 133 4.393 4.647 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.849 2.312 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.098 3.422 -1.607 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.431 2.406 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.657 2.810 1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 133 5.186 2.924 2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 133 4.037 4.283 2.031 1.00 0.00 H new ATOM 253 N LYS A 134 6.204 6.827 -1.010 1.00 0.00 N ATOM 254 CA LYS A 134 6.630 7.579 -2.185 1.00 0.00 C ATOM 255 C LYS A 134 7.972 8.261 -1.939 1.00 0.00 C ATOM 256 O LYS A 134 8.781 8.408 -2.855 1.00 0.00 O ATOM 257 CB LYS A 134 5.573 8.623 -2.555 1.00 0.00 C ATOM 258 CG LYS A 134 5.762 9.219 -3.941 1.00 0.00 C ATOM 259 CD LYS A 134 4.662 10.216 -4.273 1.00 0.00 C ATOM 260 CE LYS A 134 4.727 10.652 -5.729 1.00 0.00 C ATOM 261 NZ LYS A 134 4.538 9.506 -6.662 1.00 0.00 N ATOM 0 H LYS A 134 5.404 7.228 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 134 6.747 6.879 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.586 8.164 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.594 9.426 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 134 6.732 9.713 -3.997 1.00 0.00 H new ATOM 0 HG3 LYS A 134 5.768 8.421 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.689 9.768 -4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 134 4.753 11.089 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 134 3.960 11.403 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.690 11.124 -5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.236 9.861 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.435 8.989 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 3.811 8.866 -6.283 1.00 0.00 H new ATOM 275 N LEU A 135 8.201 8.675 -0.696 1.00 0.00 N ATOM 276 CA LEU A 135 9.443 9.344 -0.328 1.00 0.00 C ATOM 277 C LEU A 135 10.613 8.365 -0.316 1.00 0.00 C ATOM 278 O LEU A 135 11.649 8.616 -0.933 1.00 0.00 O ATOM 279 CB LEU A 135 9.306 10.008 1.045 1.00 0.00 C ATOM 280 CG LEU A 135 8.386 11.231 1.091 1.00 0.00 C ATOM 281 CD1 LEU A 135 8.197 11.699 2.525 1.00 0.00 C ATOM 282 CD2 LEU A 135 8.949 12.356 0.235 1.00 0.00 C ATOM 0 H LEU A 135 7.542 8.558 0.073 1.00 0.00 H new ATOM 0 HA LEU A 135 9.643 10.110 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.934 9.267 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 135 10.297 10.306 1.387 1.00 0.00 H new ATOM 0 HG LEU A 135 7.414 10.946 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 135 7.541 12.569 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.751 10.897 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.164 11.967 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 135 8.282 13.217 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 135 9.933 12.640 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 135 9.036 12.019 -0.798 1.00 0.00 H new ATOM 294 N GLN A 136 10.444 7.250 0.390 1.00 0.00 N ATOM 295 CA GLN A 136 11.491 6.239 0.478 1.00 0.00 C ATOM 296 C GLN A 136 11.746 5.601 -0.883 1.00 0.00 C ATOM 297 O GLN A 136 12.853 5.142 -1.167 1.00 0.00 O ATOM 298 CB GLN A 136 11.111 5.163 1.498 1.00 0.00 C ATOM 299 CG GLN A 136 10.997 5.687 2.921 1.00 0.00 C ATOM 300 CD GLN A 136 10.669 4.595 3.920 1.00 0.00 C ATOM 301 OE1 GLN A 136 9.502 4.315 4.191 1.00 0.00 O ATOM 302 NE2 GLN A 136 11.703 3.974 4.475 1.00 0.00 N ATOM 0 H GLN A 136 9.594 7.025 0.908 1.00 0.00 H new ATOM 0 HA GLN A 136 12.407 6.730 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.160 4.717 1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 136 11.857 4.369 1.471 1.00 0.00 H new ATOM 0 HG2 GLN A 136 11.935 6.164 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 136 10.224 6.455 2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 136 12.654 4.240 4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 136 11.546 3.231 5.156 1.00 0.00 H new ATOM 311 N PHE A 137 10.715 5.580 -1.722 1.00 0.00 N ATOM 312 CA PHE A 137 10.826 5.001 -3.055 1.00 0.00 C ATOM 313 C PHE A 137 10.253 5.945 -4.105 1.00 0.00 C ATOM 314 O PHE A 137 9.061 5.903 -4.409 1.00 0.00 O ATOM 315 CB PHE A 137 10.099 3.655 -3.113 1.00 0.00 C ATOM 316 CG PHE A 137 10.554 2.680 -2.064 1.00 0.00 C ATOM 317 CD1 PHE A 137 9.956 2.658 -0.815 1.00 0.00 C ATOM 318 CD2 PHE A 137 11.581 1.788 -2.328 1.00 0.00 C ATOM 319 CE1 PHE A 137 10.371 1.762 0.152 1.00 0.00 C ATOM 320 CE2 PHE A 137 12.002 0.890 -1.364 1.00 0.00 C ATOM 321 CZ PHE A 137 11.395 0.878 -0.122 1.00 0.00 C ATOM 0 H PHE A 137 9.793 5.957 -1.502 1.00 0.00 H new ATOM 0 HA PHE A 137 11.883 4.844 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 137 9.028 3.825 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 137 10.249 3.213 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 137 9.156 3.349 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 137 12.058 1.794 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 137 9.894 1.754 1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 137 12.803 0.199 -1.581 1.00 0.00 H new ATOM 0 HZ PHE A 137 11.722 0.178 0.633 1.00 0.00 H new ATOM 331 N GLY A 138 11.110 6.803 -4.650 1.00 0.00 N ATOM 332 CA GLY A 138 10.673 7.747 -5.661 1.00 0.00 C ATOM 333 C GLY A 138 11.438 7.594 -6.960 1.00 0.00 C ATOM 334 O GLY A 138 10.905 7.862 -8.038 1.00 0.00 O ATOM 0 H GLY A 138 12.099 6.861 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.609 7.607 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.799 8.762 -5.285 1.00 0.00 H new ATOM 338 N SER A 139 12.691 7.160 -6.857 1.00 0.00 N ATOM 339 CA SER A 139 13.534 6.969 -8.030 1.00 0.00 C ATOM 340 C SER A 139 13.174 5.672 -8.748 1.00 0.00 C ATOM 341 O SER A 139 13.621 5.425 -9.868 1.00 0.00 O ATOM 342 CB SER A 139 15.009 6.951 -7.625 1.00 0.00 C ATOM 343 OG SER A 139 15.380 8.168 -7.000 1.00 0.00 O ATOM 0 H SER A 139 13.144 6.934 -5.972 1.00 0.00 H new ATOM 0 HA SER A 139 13.363 7.802 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 139 15.193 6.119 -6.946 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.630 6.787 -8.506 1.00 0.00 H new ATOM 0 HG SER A 139 16.327 8.131 -6.749 1.00 0.00 H new ATOM 349 N GLN A 140 12.361 4.849 -8.092 1.00 0.00 N ATOM 350 CA GLN A 140 11.934 3.578 -8.663 1.00 0.00 C ATOM 351 C GLN A 140 10.415 3.543 -8.827 1.00 0.00 C ATOM 352 O GLN A 140 9.702 3.061 -7.947 1.00 0.00 O ATOM 353 CB GLN A 140 12.390 2.415 -7.778 1.00 0.00 C ATOM 354 CG GLN A 140 13.883 2.413 -7.492 1.00 0.00 C ATOM 355 CD GLN A 140 14.716 2.054 -8.709 1.00 0.00 C ATOM 356 OE1 GLN A 140 14.336 2.331 -9.845 1.00 0.00 O ATOM 357 NE2 GLN A 140 15.864 1.429 -8.472 1.00 0.00 N ATOM 0 H GLN A 140 11.985 5.041 -7.163 1.00 0.00 H new ATOM 0 HA GLN A 140 12.393 3.476 -9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 140 11.848 2.455 -6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 140 12.120 1.476 -8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 140 14.180 3.398 -7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.094 1.704 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 140 16.141 1.218 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 140 16.468 1.160 -9.249 1.00 0.00 H new ATOM 366 N PRO A 141 9.898 4.066 -9.956 1.00 0.00 N ATOM 367 CA PRO A 141 8.456 4.090 -10.225 1.00 0.00 C ATOM 368 C PRO A 141 7.857 2.690 -10.300 1.00 0.00 C ATOM 369 O PRO A 141 6.643 2.520 -10.208 1.00 0.00 O ATOM 370 CB PRO A 141 8.345 4.785 -11.589 1.00 0.00 C ATOM 371 CG PRO A 141 9.640 5.500 -11.770 1.00 0.00 C ATOM 372 CD PRO A 141 10.670 4.677 -11.052 1.00 0.00 C ATOM 0 HA PRO A 141 7.910 4.598 -9.430 1.00 0.00 H new ATOM 0 HB2 PRO A 141 8.180 4.061 -12.387 1.00 0.00 H new ATOM 0 HB3 PRO A 141 7.505 5.480 -11.610 1.00 0.00 H new ATOM 0 HG2 PRO A 141 9.887 5.599 -12.827 1.00 0.00 H new ATOM 0 HG3 PRO A 141 9.590 6.508 -11.359 1.00 0.00 H new ATOM 0 HD2 PRO A 141 11.111 3.923 -11.704 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.488 5.292 -10.676 1.00 0.00 H new ATOM 380 N GLN A 142 8.717 1.690 -10.463 1.00 0.00 N ATOM 381 CA GLN A 142 8.272 0.304 -10.558 1.00 0.00 C ATOM 382 C GLN A 142 7.692 -0.185 -9.234 1.00 0.00 C ATOM 383 O GLN A 142 6.693 -0.903 -9.213 1.00 0.00 O ATOM 384 CB GLN A 142 9.435 -0.597 -10.982 1.00 0.00 C ATOM 385 CG GLN A 142 9.030 -2.044 -11.214 1.00 0.00 C ATOM 386 CD GLN A 142 8.020 -2.195 -12.333 1.00 0.00 C ATOM 387 OE1 GLN A 142 8.384 -2.371 -13.496 1.00 0.00 O ATOM 388 NE2 GLN A 142 6.739 -2.125 -11.988 1.00 0.00 N ATOM 0 H GLN A 142 9.727 1.814 -10.532 1.00 0.00 H new ATOM 0 HA GLN A 142 7.486 0.257 -11.311 1.00 0.00 H new ATOM 0 HB2 GLN A 142 9.876 -0.201 -11.897 1.00 0.00 H new ATOM 0 HB3 GLN A 142 10.208 -0.563 -10.215 1.00 0.00 H new ATOM 0 HG2 GLN A 142 9.917 -2.632 -11.449 1.00 0.00 H new ATOM 0 HG3 GLN A 142 8.611 -2.452 -10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 142 6.481 -1.978 -11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 142 6.014 -2.218 -12.699 1.00 0.00 H new ATOM 397 N VAL A 143 8.322 0.207 -8.130 1.00 0.00 N ATOM 398 CA VAL A 143 7.869 -0.199 -6.805 1.00 0.00 C ATOM 399 C VAL A 143 6.536 0.454 -6.450 1.00 0.00 C ATOM 400 O VAL A 143 5.582 -0.227 -6.069 1.00 0.00 O ATOM 401 CB VAL A 143 8.910 0.150 -5.722 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.462 -0.359 -4.361 1.00 0.00 C ATOM 403 CG2 VAL A 143 10.271 -0.420 -6.090 1.00 0.00 C ATOM 0 H VAL A 143 9.148 0.806 -8.128 1.00 0.00 H new ATOM 0 HA VAL A 143 7.739 -1.281 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 143 8.997 1.235 -5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.211 -0.102 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.510 0.101 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.343 -1.442 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.994 -0.165 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.200 -1.504 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.596 -0.000 -7.042 1.00 0.00 H new ATOM 413 N TYR A 144 6.476 1.777 -6.577 1.00 0.00 N ATOM 414 CA TYR A 144 5.258 2.520 -6.268 1.00 0.00 C ATOM 415 C TYR A 144 4.103 2.050 -7.145 1.00 0.00 C ATOM 416 O TYR A 144 2.973 1.903 -6.676 1.00 0.00 O ATOM 417 CB TYR A 144 5.490 4.021 -6.461 1.00 0.00 C ATOM 418 CG TYR A 144 4.416 4.889 -5.843 1.00 0.00 C ATOM 419 CD1 TYR A 144 4.281 4.985 -4.463 1.00 0.00 C ATOM 420 CD2 TYR A 144 3.538 5.616 -6.639 1.00 0.00 C ATOM 421 CE1 TYR A 144 3.303 5.779 -3.895 1.00 0.00 C ATOM 422 CE2 TYR A 144 2.559 6.413 -6.078 1.00 0.00 C ATOM 423 CZ TYR A 144 2.445 6.491 -4.707 1.00 0.00 C ATOM 424 OH TYR A 144 1.469 7.282 -4.145 1.00 0.00 O ATOM 0 H TYR A 144 7.255 2.356 -6.891 1.00 0.00 H new ATOM 0 HA TYR A 144 4.998 2.334 -5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.454 4.289 -6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 144 5.549 4.236 -7.528 1.00 0.00 H new ATOM 0 HD1 TYR A 144 4.952 4.430 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 144 3.623 5.557 -7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 144 3.211 5.842 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 144 1.886 6.972 -6.711 1.00 0.00 H new ATOM 0 HH TYR A 144 0.951 7.716 -4.855 1.00 0.00 H new ATOM 434 N ASN A 145 4.395 1.813 -8.420 1.00 0.00 N ATOM 435 CA ASN A 145 3.381 1.357 -9.364 1.00 0.00 C ATOM 436 C ASN A 145 2.879 -0.031 -8.986 1.00 0.00 C ATOM 437 O ASN A 145 1.682 -0.310 -9.058 1.00 0.00 O ATOM 438 CB ASN A 145 3.942 1.342 -10.787 1.00 0.00 C ATOM 439 CG ASN A 145 2.941 0.815 -11.796 1.00 0.00 C ATOM 440 OD1 ASN A 145 2.884 -0.386 -12.061 1.00 0.00 O ATOM 441 ND2 ASN A 145 2.144 1.713 -12.365 1.00 0.00 N ATOM 0 H ASN A 145 5.325 1.929 -8.823 1.00 0.00 H new ATOM 0 HA ASN A 145 2.543 2.053 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.240 2.352 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.840 0.725 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.450 1.417 -13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 145 2.226 2.699 -12.115 1.00 0.00 H new ATOM 448 N ASP A 146 3.804 -0.900 -8.585 1.00 0.00 N ATOM 449 CA ASP A 146 3.454 -2.259 -8.190 1.00 0.00 C ATOM 450 C ASP A 146 2.487 -2.241 -7.012 1.00 0.00 C ATOM 451 O ASP A 146 1.521 -3.003 -6.977 1.00 0.00 O ATOM 452 CB ASP A 146 4.710 -3.050 -7.823 1.00 0.00 C ATOM 453 CG ASP A 146 4.405 -4.500 -7.500 1.00 0.00 C ATOM 454 OD1 ASP A 146 4.099 -4.794 -6.325 1.00 0.00 O ATOM 455 OD2 ASP A 146 4.469 -5.340 -8.421 1.00 0.00 O ATOM 0 H ASP A 146 4.800 -0.686 -8.526 1.00 0.00 H new ATOM 0 HA ASP A 146 2.967 -2.745 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.419 -3.006 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 146 5.193 -2.583 -6.965 1.00 0.00 H new ATOM 460 N PHE A 147 2.754 -1.364 -6.047 1.00 0.00 N ATOM 461 CA PHE A 147 1.903 -1.243 -4.869 1.00 0.00 C ATOM 462 C PHE A 147 0.502 -0.787 -5.268 1.00 0.00 C ATOM 463 O PHE A 147 -0.497 -1.357 -4.824 1.00 0.00 O ATOM 464 CB PHE A 147 2.514 -0.261 -3.868 1.00 0.00 C ATOM 465 CG PHE A 147 1.728 -0.137 -2.592 1.00 0.00 C ATOM 466 CD1 PHE A 147 1.877 -1.069 -1.578 1.00 0.00 C ATOM 467 CD2 PHE A 147 0.840 0.910 -2.410 1.00 0.00 C ATOM 468 CE1 PHE A 147 1.156 -0.956 -0.404 1.00 0.00 C ATOM 469 CE2 PHE A 147 0.116 1.027 -1.239 1.00 0.00 C ATOM 470 CZ PHE A 147 0.274 0.093 -0.235 1.00 0.00 C ATOM 0 H PHE A 147 3.552 -0.728 -6.059 1.00 0.00 H new ATOM 0 HA PHE A 147 1.829 -2.222 -4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.529 -0.581 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.590 0.721 -4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.564 -1.893 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.712 1.643 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.282 -1.688 0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.573 1.849 -1.109 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.291 0.182 0.681 1.00 0.00 H new ATOM 480 N LEU A 148 0.437 0.243 -6.108 1.00 0.00 N ATOM 481 CA LEU A 148 -0.842 0.768 -6.572 1.00 0.00 C ATOM 482 C LEU A 148 -1.641 -0.318 -7.285 1.00 0.00 C ATOM 483 O LEU A 148 -2.870 -0.352 -7.207 1.00 0.00 O ATOM 484 CB LEU A 148 -0.622 1.956 -7.511 1.00 0.00 C ATOM 485 CG LEU A 148 0.028 3.185 -6.868 1.00 0.00 C ATOM 486 CD1 LEU A 148 0.313 4.250 -7.916 1.00 0.00 C ATOM 487 CD2 LEU A 148 -0.859 3.746 -5.766 1.00 0.00 C ATOM 0 H LEU A 148 1.253 0.729 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.408 1.105 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 148 0.001 1.630 -8.344 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.584 2.251 -7.929 1.00 0.00 H new ATOM 0 HG LEU A 148 0.975 2.877 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 148 0.775 5.115 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 148 0.989 3.847 -8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.620 4.552 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.380 4.618 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -1.822 4.036 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -1.011 2.986 -4.999 1.00 0.00 H new ATOM 499 N ASP A 149 -0.935 -1.205 -7.980 1.00 0.00 N ATOM 500 CA ASP A 149 -1.576 -2.296 -8.703 1.00 0.00 C ATOM 501 C ASP A 149 -2.233 -3.269 -7.729 1.00 0.00 C ATOM 502 O ASP A 149 -3.420 -3.579 -7.848 1.00 0.00 O ATOM 503 CB ASP A 149 -0.554 -3.033 -9.571 1.00 0.00 C ATOM 504 CG ASP A 149 -1.190 -4.113 -10.422 1.00 0.00 C ATOM 505 OD1 ASP A 149 -1.621 -3.802 -11.552 1.00 0.00 O ATOM 506 OD2 ASP A 149 -1.258 -5.272 -9.959 1.00 0.00 O ATOM 0 H ASP A 149 0.082 -1.189 -8.057 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.346 -1.874 -9.348 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.047 -2.317 -10.217 1.00 0.00 H new ATOM 0 HB3 ASP A 149 0.207 -3.480 -8.931 1.00 0.00 H new ATOM 511 N ILE A 150 -1.453 -3.746 -6.764 1.00 0.00 N ATOM 512 CA ILE A 150 -1.958 -4.676 -5.764 1.00 0.00 C ATOM 513 C ILE A 150 -3.140 -4.067 -5.017 1.00 0.00 C ATOM 514 O ILE A 150 -4.039 -4.780 -4.569 1.00 0.00 O ATOM 515 CB ILE A 150 -0.858 -5.068 -4.756 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.355 -5.641 -5.496 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.393 -6.074 -3.746 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.562 -5.860 -4.608 1.00 0.00 C ATOM 0 H ILE A 150 -0.468 -3.503 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.285 -5.575 -6.287 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.546 -4.175 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 150 0.075 -6.590 -5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.629 -4.964 -6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.603 -6.339 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.230 -5.635 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.730 -6.970 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.381 -6.267 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.868 -4.910 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.307 -6.561 -3.813 1.00 0.00 H new ATOM 530 N MET A 151 -3.135 -2.742 -4.893 1.00 0.00 N ATOM 531 CA MET A 151 -4.211 -2.034 -4.212 1.00 0.00 C ATOM 532 C MET A 151 -5.449 -1.942 -5.096 1.00 0.00 C ATOM 533 O MET A 151 -6.576 -1.971 -4.601 1.00 0.00 O ATOM 534 CB MET A 151 -3.757 -0.636 -3.796 1.00 0.00 C ATOM 535 CG MET A 151 -3.285 -0.560 -2.354 1.00 0.00 C ATOM 536 SD MET A 151 -4.592 -0.968 -1.180 1.00 0.00 S ATOM 537 CE MET A 151 -3.683 -0.955 0.361 1.00 0.00 C ATOM 0 H MET A 151 -2.397 -2.139 -5.256 1.00 0.00 H new ATOM 0 HA MET A 151 -4.469 -2.600 -3.317 1.00 0.00 H new ATOM 0 HB2 MET A 151 -2.949 -0.314 -4.453 1.00 0.00 H new ATOM 0 HB3 MET A 151 -4.581 0.063 -3.938 1.00 0.00 H new ATOM 0 HG2 MET A 151 -2.447 -1.243 -2.212 1.00 0.00 H new ATOM 0 HG3 MET A 151 -2.916 0.445 -2.148 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.317 -0.558 1.154 1.00 0.00 H new ATOM 0 HE2 MET A 151 -3.380 -1.971 0.613 1.00 0.00 H new ATOM 0 HE3 MET A 151 -2.797 -0.328 0.256 1.00 0.00 H new ATOM 547 N LYS A 152 -5.239 -1.828 -6.405 1.00 0.00 N ATOM 548 CA LYS A 152 -6.352 -1.742 -7.344 1.00 0.00 C ATOM 549 C LYS A 152 -7.080 -3.080 -7.413 1.00 0.00 C ATOM 550 O LYS A 152 -8.291 -3.132 -7.628 1.00 0.00 O ATOM 551 CB LYS A 152 -5.864 -1.314 -8.736 1.00 0.00 C ATOM 552 CG LYS A 152 -5.670 -2.463 -9.718 1.00 0.00 C ATOM 553 CD LYS A 152 -5.137 -1.968 -11.053 1.00 0.00 C ATOM 554 CE LYS A 152 -5.019 -3.099 -12.063 1.00 0.00 C ATOM 555 NZ LYS A 152 -6.331 -3.752 -12.325 1.00 0.00 N ATOM 0 H LYS A 152 -4.315 -1.793 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 152 -7.048 -0.983 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -6.581 -0.609 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -4.919 -0.781 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -4.978 -3.191 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -6.619 -2.977 -9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -5.799 -1.196 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -4.160 -1.507 -10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -4.615 -2.710 -12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -4.312 -3.842 -11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -6.269 -4.319 -13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -6.577 -4.370 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -7.065 -3.024 -12.438 1.00 0.00 H new ATOM 569 N GLU A 153 -6.326 -4.161 -7.229 1.00 0.00 N ATOM 570 CA GLU A 153 -6.896 -5.502 -7.255 1.00 0.00 C ATOM 571 C GLU A 153 -7.570 -5.824 -5.925 1.00 0.00 C ATOM 572 O GLU A 153 -8.623 -6.461 -5.887 1.00 0.00 O ATOM 573 CB GLU A 153 -5.810 -6.537 -7.556 1.00 0.00 C ATOM 574 CG GLU A 153 -5.125 -6.326 -8.896 1.00 0.00 C ATOM 575 CD GLU A 153 -4.090 -7.394 -9.197 1.00 0.00 C ATOM 576 OE1 GLU A 153 -2.925 -7.227 -8.777 1.00 0.00 O ATOM 577 OE2 GLU A 153 -4.444 -8.396 -9.853 1.00 0.00 O ATOM 0 H GLU A 153 -5.320 -4.133 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.647 -5.539 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -5.061 -6.506 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -6.253 -7.533 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -5.875 -6.320 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.645 -5.347 -8.904 1.00 0.00 H new ATOM 584 N PHE A 154 -6.954 -5.378 -4.834 1.00 0.00 N ATOM 585 CA PHE A 154 -7.494 -5.613 -3.499 1.00 0.00 C ATOM 586 C PHE A 154 -8.742 -4.765 -3.263 1.00 0.00 C ATOM 587 O PHE A 154 -9.622 -5.143 -2.490 1.00 0.00 O ATOM 588 CB PHE A 154 -6.434 -5.304 -2.438 1.00 0.00 C ATOM 589 CG PHE A 154 -6.926 -5.457 -1.025 1.00 0.00 C ATOM 590 CD1 PHE A 154 -7.316 -6.697 -0.542 1.00 0.00 C ATOM 591 CD2 PHE A 154 -6.996 -4.361 -0.180 1.00 0.00 C ATOM 592 CE1 PHE A 154 -7.768 -6.838 0.758 1.00 0.00 C ATOM 593 CE2 PHE A 154 -7.446 -4.496 1.119 1.00 0.00 C ATOM 594 CZ PHE A 154 -7.832 -5.736 1.588 1.00 0.00 C ATOM 0 H PHE A 154 -6.080 -4.852 -4.848 1.00 0.00 H new ATOM 0 HA PHE A 154 -7.774 -6.663 -3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -5.580 -5.964 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.078 -4.284 -2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.266 -7.562 -1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -6.695 -3.389 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -8.070 -7.808 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -7.496 -3.633 1.767 1.00 0.00 H new ATOM 0 HZ PHE A 154 -8.184 -5.844 2.603 1.00 0.00 H new ATOM 604 N LYS A 155 -8.813 -3.621 -3.937 1.00 0.00 N ATOM 605 CA LYS A 155 -9.955 -2.724 -3.798 1.00 0.00 C ATOM 606 C LYS A 155 -11.173 -3.284 -4.526 1.00 0.00 C ATOM 607 O LYS A 155 -12.312 -2.955 -4.196 1.00 0.00 O ATOM 608 CB LYS A 155 -9.612 -1.334 -4.340 1.00 0.00 C ATOM 609 CG LYS A 155 -10.729 -0.317 -4.156 1.00 0.00 C ATOM 610 CD LYS A 155 -10.355 1.042 -4.727 1.00 0.00 C ATOM 611 CE LYS A 155 -10.214 0.997 -6.241 1.00 0.00 C ATOM 612 NZ LYS A 155 -9.844 2.325 -6.805 1.00 0.00 N ATOM 0 H LYS A 155 -8.095 -3.294 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.194 -2.639 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -8.714 -0.970 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -9.376 -1.415 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -11.634 -0.679 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -10.957 -0.215 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -11.116 1.773 -4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -9.417 1.377 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -9.455 0.263 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -11.153 0.664 -6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -9.758 2.251 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -10.580 3.020 -6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -8.935 2.632 -6.403 1.00 0.00 H new ATOM 626 N SER A 156 -10.923 -4.133 -5.519 1.00 0.00 N ATOM 627 CA SER A 156 -11.996 -4.744 -6.295 1.00 0.00 C ATOM 628 C SER A 156 -12.459 -6.046 -5.648 1.00 0.00 C ATOM 629 O SER A 156 -13.202 -6.820 -6.253 1.00 0.00 O ATOM 630 CB SER A 156 -11.530 -5.006 -7.730 1.00 0.00 C ATOM 631 OG SER A 156 -10.432 -5.900 -7.757 1.00 0.00 O ATOM 0 H SER A 156 -9.985 -4.413 -5.805 1.00 0.00 H new ATOM 0 HA SER A 156 -12.838 -4.052 -6.317 1.00 0.00 H new ATOM 0 HB2 SER A 156 -12.353 -5.419 -8.313 1.00 0.00 H new ATOM 0 HB3 SER A 156 -11.247 -4.064 -8.201 1.00 0.00 H new ATOM 0 HG SER A 156 -10.069 -6.000 -6.852 1.00 0.00 H new ATOM 637 N GLN A 157 -12.014 -6.277 -4.413 1.00 0.00 N ATOM 638 CA GLN A 157 -12.377 -7.482 -3.672 1.00 0.00 C ATOM 639 C GLN A 157 -11.899 -8.735 -4.403 1.00 0.00 C ATOM 640 O GLN A 157 -12.372 -9.842 -4.138 1.00 0.00 O ATOM 641 CB GLN A 157 -13.894 -7.540 -3.456 1.00 0.00 C ATOM 642 CG GLN A 157 -14.320 -8.514 -2.367 1.00 0.00 C ATOM 643 CD GLN A 157 -15.825 -8.567 -2.187 1.00 0.00 C ATOM 644 OE1 GLN A 157 -16.510 -9.367 -2.824 1.00 0.00 O ATOM 645 NE2 GLN A 157 -16.347 -7.713 -1.315 1.00 0.00 N ATOM 0 H GLN A 157 -11.399 -5.642 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 157 -11.885 -7.444 -2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.254 -6.543 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.375 -7.823 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -13.952 -9.510 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.855 -8.225 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.741 -7.067 -0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.354 -7.703 -1.151 1.00 0.00 H new ATOM 654 N SER A 158 -10.952 -8.555 -5.317 1.00 0.00 N ATOM 655 CA SER A 158 -10.410 -9.669 -6.085 1.00 0.00 C ATOM 656 C SER A 158 -9.610 -10.610 -5.191 1.00 0.00 C ATOM 657 O SER A 158 -9.941 -11.788 -5.058 1.00 0.00 O ATOM 658 CB SER A 158 -9.527 -9.152 -7.221 1.00 0.00 C ATOM 659 OG SER A 158 -9.001 -10.224 -7.985 1.00 0.00 O ATOM 0 H SER A 158 -10.544 -7.648 -5.544 1.00 0.00 H new ATOM 0 HA SER A 158 -11.246 -10.225 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 158 -10.107 -8.492 -7.866 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.710 -8.559 -6.810 1.00 0.00 H new ATOM 0 HG SER A 158 -8.441 -9.868 -8.706 1.00 0.00 H new ATOM 665 N ILE A 159 -8.558 -10.080 -4.576 1.00 0.00 N ATOM 666 CA ILE A 159 -7.708 -10.872 -3.695 1.00 0.00 C ATOM 667 C ILE A 159 -8.161 -10.756 -2.243 1.00 0.00 C ATOM 668 O ILE A 159 -9.025 -9.943 -1.914 1.00 0.00 O ATOM 669 CB ILE A 159 -6.233 -10.440 -3.800 1.00 0.00 C ATOM 670 CG1 ILE A 159 -6.083 -8.957 -3.449 1.00 0.00 C ATOM 671 CG2 ILE A 159 -5.701 -10.719 -5.199 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.644 -8.491 -3.385 1.00 0.00 C ATOM 0 H ILE A 159 -8.274 -9.105 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 159 -7.797 -11.909 -4.017 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.647 -11.020 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.616 -8.361 -4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.560 -8.770 -2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -4.658 -10.409 -5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -5.776 -11.786 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -6.288 -10.162 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.616 -7.431 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -4.111 -9.061 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.168 -8.645 -4.353 1.00 0.00 H new ATOM 684 N ASP A 160 -7.571 -11.575 -1.379 1.00 0.00 N ATOM 685 CA ASP A 160 -7.912 -11.568 0.040 1.00 0.00 C ATOM 686 C ASP A 160 -6.947 -10.685 0.827 1.00 0.00 C ATOM 687 O ASP A 160 -5.950 -10.208 0.286 1.00 0.00 O ATOM 688 CB ASP A 160 -7.887 -12.991 0.599 1.00 0.00 C ATOM 689 CG ASP A 160 -8.862 -13.908 -0.112 1.00 0.00 C ATOM 690 OD1 ASP A 160 -8.465 -14.534 -1.116 1.00 0.00 O ATOM 691 OD2 ASP A 160 -10.025 -14.000 0.338 1.00 0.00 O ATOM 0 H ASP A 160 -6.854 -12.253 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 160 -8.918 -11.161 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -6.879 -13.396 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -8.126 -12.965 1.662 1.00 0.00 H new ATOM 696 N THR A 161 -7.251 -10.473 2.105 1.00 0.00 N ATOM 697 CA THR A 161 -6.407 -9.645 2.961 1.00 0.00 C ATOM 698 C THR A 161 -5.005 -10.244 3.119 1.00 0.00 C ATOM 699 O THR A 161 -4.011 -9.537 2.951 1.00 0.00 O ATOM 700 CB THR A 161 -7.036 -9.434 4.353 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.362 -8.910 4.216 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.195 -8.480 5.186 1.00 0.00 C ATOM 0 H THR A 161 -8.072 -10.862 2.569 1.00 0.00 H new ATOM 0 HA THR A 161 -6.323 -8.677 2.467 1.00 0.00 H new ATOM 0 HB THR A 161 -7.076 -10.398 4.860 1.00 0.00 H new ATOM 0 HG1 THR A 161 -8.756 -8.780 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 161 -6.658 -8.346 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.194 -8.892 5.312 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.130 -7.517 4.680 1.00 0.00 H new ATOM 710 N PRO A 162 -4.891 -11.549 3.447 1.00 0.00 N ATOM 711 CA PRO A 162 -3.584 -12.195 3.612 1.00 0.00 C ATOM 712 C PRO A 162 -2.721 -12.059 2.362 1.00 0.00 C ATOM 713 O PRO A 162 -1.494 -11.985 2.444 1.00 0.00 O ATOM 714 CB PRO A 162 -3.933 -13.666 3.862 1.00 0.00 C ATOM 715 CG PRO A 162 -5.331 -13.647 4.372 1.00 0.00 C ATOM 716 CD PRO A 162 -6.002 -12.494 3.683 1.00 0.00 C ATOM 0 HA PRO A 162 -3.005 -11.744 4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -3.855 -14.252 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -3.254 -14.115 4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -5.841 -14.585 4.151 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -5.351 -13.521 5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -6.474 -12.802 2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.781 -12.052 4.304 1.00 0.00 H new ATOM 724 N GLY A 163 -3.376 -12.016 1.205 1.00 0.00 N ATOM 725 CA GLY A 163 -2.664 -11.892 -0.053 1.00 0.00 C ATOM 726 C GLY A 163 -1.977 -10.550 -0.213 1.00 0.00 C ATOM 727 O GLY A 163 -0.789 -10.492 -0.526 1.00 0.00 O ATOM 0 H GLY A 163 -4.391 -12.065 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -1.920 -12.686 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -3.364 -12.037 -0.876 1.00 0.00 H new ATOM 731 N VAL A 164 -2.722 -9.468 -0.001 1.00 0.00 N ATOM 732 CA VAL A 164 -2.165 -8.127 -0.135 1.00 0.00 C ATOM 733 C VAL A 164 -1.089 -7.868 0.916 1.00 0.00 C ATOM 734 O VAL A 164 -0.105 -7.180 0.647 1.00 0.00 O ATOM 735 CB VAL A 164 -3.256 -7.040 -0.035 1.00 0.00 C ATOM 736 CG1 VAL A 164 -3.965 -7.101 1.308 1.00 0.00 C ATOM 737 CG2 VAL A 164 -2.659 -5.659 -0.267 1.00 0.00 C ATOM 0 H VAL A 164 -3.707 -9.494 0.263 1.00 0.00 H new ATOM 0 HA VAL A 164 -1.715 -8.074 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 164 -3.995 -7.230 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -4.729 -6.324 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.433 -8.078 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.242 -6.945 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -3.444 -4.906 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -1.895 -5.462 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.211 -5.619 -1.260 1.00 0.00 H new ATOM 747 N ILE A 165 -1.274 -8.424 2.110 1.00 0.00 N ATOM 748 CA ILE A 165 -0.305 -8.242 3.186 1.00 0.00 C ATOM 749 C ILE A 165 1.009 -8.946 2.865 1.00 0.00 C ATOM 750 O ILE A 165 2.088 -8.404 3.106 1.00 0.00 O ATOM 751 CB ILE A 165 -0.845 -8.760 4.535 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.115 -7.999 4.924 1.00 0.00 C ATOM 753 CG2 ILE A 165 0.218 -8.620 5.619 1.00 0.00 C ATOM 754 CD1 ILE A 165 -2.748 -8.483 6.211 1.00 0.00 C ATOM 0 H ILE A 165 -2.079 -9.000 2.356 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.128 -7.170 3.271 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.094 -9.816 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -1.877 -6.940 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -2.842 -8.088 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.177 -8.989 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 165 1.099 -9.200 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.493 -7.571 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -3.642 -7.896 6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -3.019 -9.534 6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -2.039 -8.368 7.031 1.00 0.00 H new ATOM 766 N SER A 166 0.915 -10.153 2.317 1.00 0.00 N ATOM 767 CA SER A 166 2.102 -10.927 1.967 1.00 0.00 C ATOM 768 C SER A 166 2.839 -10.294 0.789 1.00 0.00 C ATOM 769 O SER A 166 4.069 -10.291 0.745 1.00 0.00 O ATOM 770 CB SER A 166 1.717 -12.368 1.629 1.00 0.00 C ATOM 771 OG SER A 166 0.837 -12.414 0.519 1.00 0.00 O ATOM 0 H SER A 166 0.031 -10.616 2.106 1.00 0.00 H new ATOM 0 HA SER A 166 2.769 -10.930 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 166 2.615 -12.946 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 166 1.242 -12.833 2.493 1.00 0.00 H new ATOM 0 HG SER A 166 0.397 -11.545 0.414 1.00 0.00 H new ATOM 777 N ARG A 167 2.079 -9.758 -0.162 1.00 0.00 N ATOM 778 CA ARG A 167 2.660 -9.126 -1.341 1.00 0.00 C ATOM 779 C ARG A 167 3.379 -7.831 -0.974 1.00 0.00 C ATOM 780 O ARG A 167 4.472 -7.558 -1.468 1.00 0.00 O ATOM 781 CB ARG A 167 1.580 -8.851 -2.385 1.00 0.00 C ATOM 782 CG ARG A 167 1.037 -10.114 -3.031 1.00 0.00 C ATOM 783 CD ARG A 167 0.046 -9.794 -4.136 1.00 0.00 C ATOM 784 NE ARG A 167 0.684 -9.135 -5.272 1.00 0.00 N ATOM 785 CZ ARG A 167 0.123 -9.029 -6.473 1.00 0.00 C ATOM 786 NH1 ARG A 167 -1.086 -9.529 -6.692 1.00 0.00 N ATOM 787 NH2 ARG A 167 0.770 -8.420 -7.458 1.00 0.00 N ATOM 0 H ARG A 167 1.059 -9.749 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 167 3.393 -9.814 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.759 -8.309 -1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 167 1.989 -8.202 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 167 1.862 -10.698 -3.439 1.00 0.00 H new ATOM 0 HG3 ARG A 167 0.553 -10.731 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -0.431 -10.715 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -0.742 -9.153 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 167 1.612 -8.733 -5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -1.589 -9.997 -5.938 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -1.513 -9.446 -7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 167 1.699 -8.032 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 167 0.338 -8.340 -8.379 1.00 0.00 H new ATOM 801 N VAL A 168 2.758 -7.037 -0.106 1.00 0.00 N ATOM 802 CA VAL A 168 3.342 -5.771 0.324 1.00 0.00 C ATOM 803 C VAL A 168 4.558 -6.004 1.217 1.00 0.00 C ATOM 804 O VAL A 168 5.546 -5.273 1.140 1.00 0.00 O ATOM 805 CB VAL A 168 2.311 -4.900 1.075 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.978 -3.679 1.689 1.00 0.00 C ATOM 807 CG2 VAL A 168 1.188 -4.479 0.139 1.00 0.00 C ATOM 0 H VAL A 168 1.852 -7.248 0.313 1.00 0.00 H new ATOM 0 HA VAL A 168 3.656 -5.242 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 168 1.885 -5.496 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 168 2.232 -3.081 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.746 -3.999 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.436 -3.080 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.470 -3.866 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.601 -3.904 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.687 -5.365 -0.250 1.00 0.00 H new ATOM 817 N SER A 169 4.482 -7.030 2.060 1.00 0.00 N ATOM 818 CA SER A 169 5.578 -7.359 2.965 1.00 0.00 C ATOM 819 C SER A 169 6.800 -7.832 2.182 1.00 0.00 C ATOM 820 O SER A 169 7.933 -7.481 2.510 1.00 0.00 O ATOM 821 CB SER A 169 5.142 -8.438 3.959 1.00 0.00 C ATOM 822 OG SER A 169 4.765 -9.627 3.289 1.00 0.00 O ATOM 0 H SER A 169 3.673 -7.647 2.135 1.00 0.00 H new ATOM 0 HA SER A 169 5.847 -6.458 3.517 1.00 0.00 H new ATOM 0 HB2 SER A 169 5.957 -8.650 4.651 1.00 0.00 H new ATOM 0 HB3 SER A 169 4.306 -8.072 4.554 1.00 0.00 H new ATOM 0 HG SER A 169 4.606 -9.432 2.342 1.00 0.00 H new ATOM 828 N GLN A 170 6.559 -8.634 1.149 1.00 0.00 N ATOM 829 CA GLN A 170 7.639 -9.150 0.314 1.00 0.00 C ATOM 830 C GLN A 170 8.112 -8.084 -0.671 1.00 0.00 C ATOM 831 O GLN A 170 9.258 -8.102 -1.118 1.00 0.00 O ATOM 832 CB GLN A 170 7.175 -10.397 -0.447 1.00 0.00 C ATOM 833 CG GLN A 170 8.255 -11.020 -1.318 1.00 0.00 C ATOM 834 CD GLN A 170 9.455 -11.490 -0.518 1.00 0.00 C ATOM 835 OE1 GLN A 170 9.330 -11.868 0.646 1.00 0.00 O ATOM 836 NE2 GLN A 170 10.627 -11.467 -1.142 1.00 0.00 N ATOM 0 H GLN A 170 5.627 -8.940 0.870 1.00 0.00 H new ATOM 0 HA GLN A 170 8.473 -9.421 0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 170 6.826 -11.140 0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 170 6.323 -10.133 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 170 7.834 -11.865 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 170 8.581 -10.292 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 170 10.684 -11.146 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 170 11.470 -11.771 -0.655 1.00 0.00 H new ATOM 845 N LEU A 171 7.215 -7.158 -1.001 1.00 0.00 N ATOM 846 CA LEU A 171 7.528 -6.079 -1.933 1.00 0.00 C ATOM 847 C LEU A 171 8.757 -5.299 -1.478 1.00 0.00 C ATOM 848 O LEU A 171 9.779 -5.279 -2.165 1.00 0.00 O ATOM 849 CB LEU A 171 6.332 -5.130 -2.068 1.00 0.00 C ATOM 850 CG LEU A 171 6.526 -3.975 -3.053 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.677 -4.500 -4.473 1.00 0.00 C ATOM 852 CD2 LEU A 171 5.362 -2.999 -2.966 1.00 0.00 C ATOM 0 H LEU A 171 6.263 -7.134 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 171 7.744 -6.526 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.462 -5.709 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 171 6.105 -4.715 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 171 7.441 -3.446 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 171 6.814 -3.663 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.544 -5.159 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 171 5.782 -5.055 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 171 5.517 -2.184 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 171 4.434 -3.517 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 171 5.300 -2.595 -1.955 1.00 0.00 H new ATOM 864 N PHE A 172 8.651 -4.658 -0.318 1.00 0.00 N ATOM 865 CA PHE A 172 9.754 -3.876 0.225 1.00 0.00 C ATOM 866 C PHE A 172 10.873 -4.787 0.720 1.00 0.00 C ATOM 867 O PHE A 172 12.013 -4.687 0.266 1.00 0.00 O ATOM 868 CB PHE A 172 9.264 -2.986 1.368 1.00 0.00 C ATOM 869 CG PHE A 172 8.098 -2.112 0.997 1.00 0.00 C ATOM 870 CD1 PHE A 172 8.247 -1.087 0.076 1.00 0.00 C ATOM 871 CD2 PHE A 172 6.852 -2.319 1.568 1.00 0.00 C ATOM 872 CE1 PHE A 172 7.176 -0.283 -0.266 1.00 0.00 C ATOM 873 CE2 PHE A 172 5.777 -1.518 1.229 1.00 0.00 C ATOM 874 CZ PHE A 172 5.940 -0.499 0.310 1.00 0.00 C ATOM 0 H PHE A 172 7.813 -4.665 0.263 1.00 0.00 H new ATOM 0 HA PHE A 172 10.147 -3.246 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 172 8.981 -3.616 2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 172 10.087 -2.355 1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 172 9.211 -0.915 -0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 172 6.719 -3.115 2.286 1.00 0.00 H new ATOM 0 HE1 PHE A 172 7.306 0.514 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 172 4.811 -1.689 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 172 5.102 0.127 0.043 1.00 0.00 H new ATOM 884 N LYS A 173 10.533 -5.675 1.651 1.00 0.00 N ATOM 885 CA LYS A 173 11.498 -6.612 2.218 1.00 0.00 C ATOM 886 C LYS A 173 12.704 -5.880 2.801 1.00 0.00 C ATOM 887 O LYS A 173 13.637 -5.525 2.080 1.00 0.00 O ATOM 888 CB LYS A 173 11.951 -7.609 1.153 1.00 0.00 C ATOM 889 CG LYS A 173 13.033 -8.565 1.632 1.00 0.00 C ATOM 890 CD LYS A 173 13.400 -9.578 0.561 1.00 0.00 C ATOM 891 CE LYS A 173 14.446 -10.562 1.060 1.00 0.00 C ATOM 892 NZ LYS A 173 13.962 -11.337 2.236 1.00 0.00 N ATOM 0 H LYS A 173 9.590 -5.765 2.030 1.00 0.00 H new ATOM 0 HA LYS A 173 11.008 -7.152 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 173 11.089 -8.187 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 173 12.321 -7.060 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 173 13.920 -7.998 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 173 12.688 -9.087 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 173 12.507 -10.121 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 173 13.779 -9.058 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 173 14.711 -11.249 0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 173 15.353 -10.022 1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 14.582 -12.158 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 13.975 -10.730 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 12.991 -11.664 2.060 1.00 0.00 H new ATOM 906 N GLY A 174 12.677 -5.659 4.112 1.00 0.00 N ATOM 907 CA GLY A 174 13.773 -4.974 4.771 1.00 0.00 C ATOM 908 C GLY A 174 13.359 -3.636 5.347 1.00 0.00 C ATOM 909 O GLY A 174 14.190 -2.898 5.876 1.00 0.00 O ATOM 0 H GLY A 174 11.916 -5.942 4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 174 14.163 -5.605 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 174 14.584 -4.824 4.058 1.00 0.00 H new ATOM 913 N HIS A 175 12.072 -3.321 5.243 1.00 0.00 N ATOM 914 CA HIS A 175 11.548 -2.062 5.760 1.00 0.00 C ATOM 915 C HIS A 175 10.357 -2.307 6.683 1.00 0.00 C ATOM 916 O HIS A 175 9.206 -2.146 6.277 1.00 0.00 O ATOM 917 CB HIS A 175 11.140 -1.143 4.608 1.00 0.00 C ATOM 918 CG HIS A 175 12.275 -0.781 3.700 1.00 0.00 C ATOM 919 ND1 HIS A 175 12.922 0.436 3.753 1.00 0.00 N ATOM 920 CD2 HIS A 175 12.876 -1.482 2.709 1.00 0.00 C ATOM 921 CE1 HIS A 175 13.870 0.468 2.833 1.00 0.00 C ATOM 922 NE2 HIS A 175 13.863 -0.683 2.188 1.00 0.00 N ATOM 0 H HIS A 175 11.373 -3.921 4.805 1.00 0.00 H new ATOM 0 HA HIS A 175 12.336 -1.578 6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 175 10.360 -1.631 4.024 1.00 0.00 H new ATOM 0 HB3 HIS A 175 10.708 -0.230 5.018 1.00 0.00 H new ATOM 0 HD2 HIS A 175 12.625 -2.483 2.389 1.00 0.00 H new ATOM 0 HE1 HIS A 175 14.537 1.296 2.642 1.00 0.00 H new ATOM 0 HE2 HIS A 175 14.490 -0.938 1.425 1.00 0.00 H new ATOM 931 N PRO A 176 10.618 -2.709 7.942 1.00 0.00 N ATOM 932 CA PRO A 176 9.560 -2.979 8.924 1.00 0.00 C ATOM 933 C PRO A 176 8.705 -1.749 9.210 1.00 0.00 C ATOM 934 O PRO A 176 7.626 -1.856 9.792 1.00 0.00 O ATOM 935 CB PRO A 176 10.326 -3.395 10.185 1.00 0.00 C ATOM 936 CG PRO A 176 11.677 -3.798 9.704 1.00 0.00 C ATOM 937 CD PRO A 176 11.960 -2.942 8.505 1.00 0.00 C ATOM 0 HA PRO A 176 8.865 -3.737 8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 176 10.390 -2.572 10.897 1.00 0.00 H new ATOM 0 HB3 PRO A 176 9.827 -4.219 10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 176 12.429 -3.646 10.479 1.00 0.00 H new ATOM 0 HG3 PRO A 176 11.699 -4.856 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 176 12.450 -2.008 8.782 1.00 0.00 H new ATOM 0 HD3 PRO A 176 12.614 -3.446 7.794 1.00 0.00 H new ATOM 945 N ASP A 177 9.195 -0.583 8.801 1.00 0.00 N ATOM 946 CA ASP A 177 8.475 0.667 9.019 1.00 0.00 C ATOM 947 C ASP A 177 7.185 0.708 8.207 1.00 0.00 C ATOM 948 O ASP A 177 6.097 0.861 8.763 1.00 0.00 O ATOM 949 CB ASP A 177 9.359 1.861 8.657 1.00 0.00 C ATOM 950 CG ASP A 177 10.591 1.954 9.536 1.00 0.00 C ATOM 951 OD1 ASP A 177 10.484 2.508 10.650 1.00 0.00 O ATOM 952 OD2 ASP A 177 11.662 1.472 9.111 1.00 0.00 O ATOM 0 H ASP A 177 10.087 -0.478 8.317 1.00 0.00 H new ATOM 0 HA ASP A 177 8.215 0.723 10.076 1.00 0.00 H new ATOM 0 HB2 ASP A 177 9.665 1.780 7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 177 8.780 2.780 8.749 1.00 0.00 H new ATOM 957 N LEU A 178 7.310 0.570 6.890 1.00 0.00 N ATOM 958 CA LEU A 178 6.149 0.592 6.007 1.00 0.00 C ATOM 959 C LEU A 178 5.250 -0.614 6.260 1.00 0.00 C ATOM 960 O LEU A 178 4.025 -0.490 6.283 1.00 0.00 O ATOM 961 CB LEU A 178 6.592 0.616 4.542 1.00 0.00 C ATOM 962 CG LEU A 178 7.419 1.835 4.127 1.00 0.00 C ATOM 963 CD1 LEU A 178 7.834 1.724 2.669 1.00 0.00 C ATOM 964 CD2 LEU A 178 6.639 3.120 4.360 1.00 0.00 C ATOM 0 H LEU A 178 8.202 0.442 6.412 1.00 0.00 H new ATOM 0 HA LEU A 178 5.581 1.497 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.175 -0.283 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 178 5.705 0.568 3.911 1.00 0.00 H new ATOM 0 HG LEU A 178 8.318 1.864 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 178 8.421 2.599 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 178 8.434 0.825 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 178 6.945 1.669 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 178 7.246 3.974 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 178 5.722 3.101 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 178 6.390 3.208 5.418 1.00 0.00 H new ATOM 976 N ILE A 179 5.865 -1.778 6.448 1.00 0.00 N ATOM 977 CA ILE A 179 5.118 -3.005 6.704 1.00 0.00 C ATOM 978 C ILE A 179 4.208 -2.839 7.916 1.00 0.00 C ATOM 979 O ILE A 179 3.008 -3.105 7.845 1.00 0.00 O ATOM 980 CB ILE A 179 6.061 -4.201 6.939 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.016 -4.366 5.755 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.255 -5.475 7.160 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.078 -5.423 5.973 1.00 0.00 C ATOM 0 H ILE A 179 6.878 -1.897 6.428 1.00 0.00 H new ATOM 0 HA ILE A 179 4.514 -3.204 5.819 1.00 0.00 H new ATOM 0 HB ILE A 179 6.653 -4.009 7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.439 -4.621 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.502 -3.411 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 179 5.934 -6.311 7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.612 -5.352 8.032 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.641 -5.674 6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.717 -5.483 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.681 -5.159 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.601 -6.388 6.142 1.00 0.00 H new ATOM 995 N MET A 180 4.789 -2.400 9.028 1.00 0.00 N ATOM 996 CA MET A 180 4.034 -2.194 10.258 1.00 0.00 C ATOM 997 C MET A 180 2.938 -1.154 10.048 1.00 0.00 C ATOM 998 O MET A 180 1.805 -1.332 10.496 1.00 0.00 O ATOM 999 CB MET A 180 4.967 -1.750 11.386 1.00 0.00 C ATOM 1000 CG MET A 180 4.275 -1.620 12.732 1.00 0.00 C ATOM 1001 SD MET A 180 5.400 -1.118 14.049 1.00 0.00 S ATOM 1002 CE MET A 180 6.536 -2.502 14.073 1.00 0.00 C ATOM 0 H MET A 180 5.782 -2.180 9.102 1.00 0.00 H new ATOM 0 HA MET A 180 3.568 -3.139 10.536 1.00 0.00 H new ATOM 0 HB2 MET A 180 5.783 -2.467 11.474 1.00 0.00 H new ATOM 0 HB3 MET A 180 5.412 -0.791 11.122 1.00 0.00 H new ATOM 0 HG2 MET A 180 3.468 -0.892 12.652 1.00 0.00 H new ATOM 0 HG3 MET A 180 3.818 -2.574 12.994 1.00 0.00 H new ATOM 0 HE1 MET A 180 6.788 -2.748 15.105 1.00 0.00 H new ATOM 0 HE2 MET A 180 6.069 -3.365 13.598 1.00 0.00 H new ATOM 0 HE3 MET A 180 7.444 -2.237 13.531 1.00 0.00 H new ATOM 1012 N GLY A 181 3.285 -0.068 9.363 1.00 0.00 N ATOM 1013 CA GLY A 181 2.322 0.985 9.102 1.00 0.00 C ATOM 1014 C GLY A 181 1.216 0.533 8.170 1.00 0.00 C ATOM 1015 O GLY A 181 0.136 1.124 8.145 1.00 0.00 O ATOM 0 H GLY A 181 4.217 0.101 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 181 1.887 1.318 10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 181 2.834 1.843 8.666 1.00 0.00 H new ATOM 1019 N PHE A 182 1.486 -0.518 7.403 1.00 0.00 N ATOM 1020 CA PHE A 182 0.504 -1.053 6.467 1.00 0.00 C ATOM 1021 C PHE A 182 -0.521 -1.911 7.198 1.00 0.00 C ATOM 1022 O PHE A 182 -1.726 -1.755 7.001 1.00 0.00 O ATOM 1023 CB PHE A 182 1.197 -1.876 5.377 1.00 0.00 C ATOM 1024 CG PHE A 182 0.252 -2.433 4.352 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.161 -1.659 3.277 1.00 0.00 C ATOM 1026 CD2 PHE A 182 -0.226 -3.729 4.460 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.033 -2.167 2.334 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -1.099 -4.243 3.520 1.00 0.00 C ATOM 1029 CZ PHE A 182 -1.502 -3.462 2.455 1.00 0.00 C ATOM 0 H PHE A 182 2.376 -1.016 7.411 1.00 0.00 H new ATOM 0 HA PHE A 182 -0.013 -0.215 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 182 1.936 -1.251 4.876 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.739 -2.698 5.844 1.00 0.00 H new ATOM 0 HD1 PHE A 182 0.204 -0.647 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 182 0.088 -4.345 5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -1.348 -1.553 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.466 -5.254 3.618 1.00 0.00 H new ATOM 0 HZ PHE A 182 -2.182 -3.862 1.718 1.00 0.00 H new ATOM 1039 N ASN A 183 -0.036 -2.819 8.040 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.915 -3.696 8.805 1.00 0.00 C ATOM 1041 C ASN A 183 -1.843 -2.879 9.698 1.00 0.00 C ATOM 1042 O ASN A 183 -2.964 -3.295 9.993 1.00 0.00 O ATOM 1043 CB ASN A 183 -0.092 -4.667 9.656 1.00 0.00 C ATOM 1044 CG ASN A 183 0.780 -5.580 8.814 1.00 0.00 C ATOM 1045 OD1 ASN A 183 1.221 -5.208 7.728 1.00 0.00 O ATOM 1046 ND2 ASN A 183 1.034 -6.782 9.315 1.00 0.00 N ATOM 0 H ASN A 183 0.959 -2.966 8.209 1.00 0.00 H new ATOM 0 HA ASN A 183 -1.521 -4.269 8.103 1.00 0.00 H new ATOM 0 HB2 ASN A 183 0.537 -4.100 10.343 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -0.764 -5.272 10.265 1.00 0.00 H new ATOM 0 HD21 ASN A 183 1.616 -7.439 8.795 1.00 0.00 H new ATOM 0 HD22 ASN A 183 0.647 -7.049 10.220 1.00 0.00 H new ATOM 1053 N THR A 184 -1.366 -1.715 10.123 1.00 0.00 N ATOM 1054 CA THR A 184 -2.150 -0.830 10.974 1.00 0.00 C ATOM 1055 C THR A 184 -3.042 0.079 10.135 1.00 0.00 C ATOM 1056 O THR A 184 -3.978 0.693 10.648 1.00 0.00 O ATOM 1057 CB THR A 184 -1.246 0.038 11.869 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.392 0.854 11.057 1.00 0.00 O ATOM 1059 CG2 THR A 184 -0.399 -0.830 12.789 1.00 0.00 C ATOM 0 H THR A 184 -0.438 -1.362 9.891 1.00 0.00 H new ATOM 0 HA THR A 184 -2.770 -1.463 11.609 1.00 0.00 H new ATOM 0 HB THR A 184 -1.884 0.675 12.482 1.00 0.00 H new ATOM 0 HG1 THR A 184 -0.510 0.614 10.114 1.00 0.00 H new ATOM 0 HG21 THR A 184 0.231 -0.194 13.411 1.00 0.00 H new ATOM 0 HG22 THR A 184 -1.050 -1.429 13.425 1.00 0.00 H new ATOM 0 HG23 THR A 184 0.230 -1.489 12.190 1.00 0.00 H new ATOM 1067 N PHE A 185 -2.742 0.161 8.841 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.518 0.989 7.925 1.00 0.00 C ATOM 1069 C PHE A 185 -4.852 0.324 7.607 1.00 0.00 C ATOM 1070 O PHE A 185 -5.824 0.995 7.256 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.730 1.236 6.634 1.00 0.00 C ATOM 1072 CG PHE A 185 -3.402 2.187 5.684 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -3.329 3.557 5.885 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -4.106 1.712 4.589 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -3.944 4.433 5.011 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -4.723 2.583 3.712 1.00 0.00 C ATOM 1077 CZ PHE A 185 -4.643 3.946 3.923 1.00 0.00 C ATOM 0 H PHE A 185 -1.966 -0.337 8.404 1.00 0.00 H new ATOM 0 HA PHE A 185 -3.712 1.948 8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -1.746 1.628 6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.572 0.283 6.128 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -2.785 3.944 6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -4.173 0.648 4.419 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -3.878 5.498 5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -5.267 2.199 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 185 -5.125 4.629 3.239 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.889 -1.000 7.732 1.00 0.00 N ATOM 1088 CA LEU A 186 -6.105 -1.760 7.467 1.00 0.00 C ATOM 1089 C LEU A 186 -7.232 -1.323 8.400 1.00 0.00 C ATOM 1090 O LEU A 186 -6.979 -0.894 9.527 1.00 0.00 O ATOM 1091 CB LEU A 186 -5.842 -3.259 7.634 1.00 0.00 C ATOM 1092 CG LEU A 186 -5.374 -3.988 6.374 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -4.003 -3.495 5.952 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -5.354 -5.491 6.606 1.00 0.00 C ATOM 0 H LEU A 186 -4.090 -1.568 8.015 1.00 0.00 H new ATOM 0 HA LEU A 186 -6.410 -1.564 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -5.090 -3.394 8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -6.757 -3.734 7.989 1.00 0.00 H new ATOM 0 HG LEU A 186 -6.078 -3.773 5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -3.686 -4.025 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -4.049 -2.426 5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -3.287 -3.679 6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -5.019 -5.995 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -4.672 -5.724 7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -6.357 -5.833 6.861 1.00 0.00 H new