USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=16 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 48:sc= 0.861 USER MOD Single : A 132 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.011) USER MOD Single : A 134 LYS NZ :NH3+ 160:sc= -0.0774 (180deg=-0.55) USER MOD Single : A 136 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.17) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.0656 K(o=-0.066,f=-0.61) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 151 MET CE :methyl 161:sc= -0.885 (180deg=-1.75!) USER MOD Single : A 152 LYS NZ :NH3+ 163:sc= -0.0399 (180deg=-0.299) USER MOD Single : A 155 LYS NZ :NH3+ 161:sc= -0.0741 (180deg=-0.481) USER MOD Single : A 156 SER OG : rot -36:sc= 0.984 USER MOD Single : A 157 GLN : amide:sc= -0.0878 K(o=-0.088,f=-0.79) 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 180:sc= 0 USER MOD Single : A 169 SER OG : rot 75:sc= 1.07 USER MOD Single : A 170 GLN : amide:sc= -1.02 K(o=-1,f=-0.026) USER MOD Single : A 173 LYS NZ :NH3+ 163:sc= -0.0885 (180deg=-0.393) USER MOD Single : A 175 HIS : no HD1:sc=-0.000333 X(o=-0.00033,f=0) USER MOD Single : A 180 MET CE :methyl -164:sc= -0.0514 (180deg=-0.433) USER MOD Single : A 183 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.0041) USER MOD Single : A 184 THR OG1 : rot -5:sc= 0.513 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -5.548 9.267 3.406 1.00 0.00 N ATOM 129 CA ALA A 126 -5.203 8.178 2.499 1.00 0.00 C ATOM 130 C ALA A 126 -3.813 8.371 1.902 1.00 0.00 C ATOM 131 O ALA A 126 -3.093 7.402 1.661 1.00 0.00 O ATOM 132 CB ALA A 126 -6.243 8.062 1.395 1.00 0.00 C ATOM 0 HA ALA A 126 -5.193 7.252 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.973 7.245 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.220 7.863 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.282 8.995 0.832 1.00 0.00 H new ATOM 138 N LEU A 127 -3.442 9.625 1.663 1.00 0.00 N ATOM 139 CA LEU A 127 -2.136 9.938 1.095 1.00 0.00 C ATOM 140 C LEU A 127 -1.057 9.879 2.171 1.00 0.00 C ATOM 141 O LEU A 127 0.113 10.155 1.909 1.00 0.00 O ATOM 142 CB LEU A 127 -2.156 11.326 0.443 1.00 0.00 C ATOM 143 CG LEU A 127 -1.543 11.399 -0.960 1.00 0.00 C ATOM 144 CD1 LEU A 127 -1.770 12.774 -1.568 1.00 0.00 C ATOM 145 CD2 LEU A 127 -0.055 11.077 -0.918 1.00 0.00 C ATOM 0 H LEU A 127 -4.026 10.439 1.853 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.907 9.195 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.189 11.669 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.623 12.022 1.091 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.036 10.655 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.329 12.809 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.840 12.969 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.304 13.532 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 127 0.358 11.135 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 127 0.454 11.794 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.089 10.071 -0.524 1.00 0.00 H new ATOM 157 N SER A 128 -1.462 9.514 3.384 1.00 0.00 N ATOM 158 CA SER A 128 -0.531 9.415 4.502 1.00 0.00 C ATOM 159 C SER A 128 0.525 8.348 4.234 1.00 0.00 C ATOM 160 O SER A 128 1.712 8.652 4.123 1.00 0.00 O ATOM 161 CB SER A 128 -1.284 9.090 5.794 1.00 0.00 C ATOM 162 OG SER A 128 -0.391 8.979 6.889 1.00 0.00 O ATOM 0 H SER A 128 -2.428 9.282 3.617 1.00 0.00 H new ATOM 0 HA SER A 128 -0.032 10.377 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 128 -2.018 9.870 5.997 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.835 8.157 5.673 1.00 0.00 H new ATOM 0 HG SER A 128 -0.896 8.773 7.703 1.00 0.00 H new ATOM 168 N TYR A 129 0.083 7.099 4.133 1.00 0.00 N ATOM 169 CA TYR A 129 0.990 5.985 3.878 1.00 0.00 C ATOM 170 C TYR A 129 1.572 6.069 2.470 1.00 0.00 C ATOM 171 O TYR A 129 2.731 5.722 2.247 1.00 0.00 O ATOM 172 CB TYR A 129 0.260 4.653 4.062 1.00 0.00 C ATOM 173 CG TYR A 129 1.156 3.444 3.905 1.00 0.00 C ATOM 174 CD1 TYR A 129 2.098 3.120 4.874 1.00 0.00 C ATOM 175 CD2 TYR A 129 1.060 2.626 2.787 1.00 0.00 C ATOM 176 CE1 TYR A 129 2.918 2.016 4.732 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.876 1.520 2.638 1.00 0.00 C ATOM 178 CZ TYR A 129 2.803 1.220 3.613 1.00 0.00 C ATOM 179 OH TYR A 129 3.617 0.119 3.468 1.00 0.00 O ATOM 0 H TYR A 129 -0.897 6.832 4.224 1.00 0.00 H new ATOM 0 HA TYR A 129 1.809 6.044 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -0.195 4.631 5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.552 4.590 3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.191 3.741 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 129 0.335 2.858 2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.645 1.779 5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.788 0.894 1.762 1.00 0.00 H new ATOM 0 HH TYR A 129 3.615 -0.401 4.299 1.00 0.00 H new ATOM 189 N LEU A 130 0.757 6.529 1.525 1.00 0.00 N ATOM 190 CA LEU A 130 1.192 6.657 0.140 1.00 0.00 C ATOM 191 C LEU A 130 2.393 7.590 0.037 1.00 0.00 C ATOM 192 O LEU A 130 3.315 7.350 -0.742 1.00 0.00 O ATOM 193 CB LEU A 130 0.048 7.178 -0.732 1.00 0.00 C ATOM 194 CG LEU A 130 -1.227 6.333 -0.701 1.00 0.00 C ATOM 195 CD1 LEU A 130 -2.317 6.985 -1.538 1.00 0.00 C ATOM 196 CD2 LEU A 130 -0.946 4.922 -1.197 1.00 0.00 C ATOM 0 H LEU A 130 -0.206 6.819 1.694 1.00 0.00 H new ATOM 0 HA LEU A 130 1.487 5.670 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -0.198 8.191 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.398 7.243 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.574 6.271 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -3.217 6.371 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.538 7.975 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -1.978 7.077 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.865 4.336 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.575 4.963 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -0.197 4.454 -0.558 1.00 0.00 H new ATOM 208 N ASP A 131 2.375 8.655 0.834 1.00 0.00 N ATOM 209 CA ASP A 131 3.464 9.623 0.838 1.00 0.00 C ATOM 210 C ASP A 131 4.740 8.992 1.384 1.00 0.00 C ATOM 211 O ASP A 131 5.844 9.335 0.959 1.00 0.00 O ATOM 212 CB ASP A 131 3.085 10.847 1.675 1.00 0.00 C ATOM 213 CG ASP A 131 4.200 11.871 1.739 1.00 0.00 C ATOM 214 OD1 ASP A 131 4.285 12.715 0.823 1.00 0.00 O ATOM 215 OD2 ASP A 131 4.991 11.828 2.704 1.00 0.00 O ATOM 0 H ASP A 131 1.618 8.868 1.484 1.00 0.00 H new ATOM 0 HA ASP A 131 3.644 9.940 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.193 11.311 1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.830 10.528 2.686 1.00 0.00 H new ATOM 220 N GLN A 132 4.582 8.068 2.327 1.00 0.00 N ATOM 221 CA GLN A 132 5.722 7.385 2.926 1.00 0.00 C ATOM 222 C GLN A 132 6.386 6.458 1.916 1.00 0.00 C ATOM 223 O GLN A 132 7.611 6.384 1.839 1.00 0.00 O ATOM 224 CB GLN A 132 5.284 6.589 4.158 1.00 0.00 C ATOM 225 CG GLN A 132 4.730 7.455 5.278 1.00 0.00 C ATOM 226 CD GLN A 132 4.390 6.658 6.524 1.00 0.00 C ATOM 227 OE1 GLN A 132 3.471 7.006 7.265 1.00 0.00 O ATOM 228 NE2 GLN A 132 5.133 5.583 6.762 1.00 0.00 N ATOM 0 H GLN A 132 3.676 7.776 2.692 1.00 0.00 H new ATOM 0 HA GLN A 132 6.445 8.140 3.234 1.00 0.00 H new ATOM 0 HB2 GLN A 132 4.525 5.865 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.135 6.022 4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 132 5.460 8.224 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 132 3.836 7.969 4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 132 5.885 5.331 6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.951 5.010 7.586 1.00 0.00 H new ATOM 237 N VAL A 133 5.568 5.747 1.146 1.00 0.00 N ATOM 238 CA VAL A 133 6.078 4.832 0.131 1.00 0.00 C ATOM 239 C VAL A 133 6.757 5.606 -0.993 1.00 0.00 C ATOM 240 O VAL A 133 7.766 5.168 -1.545 1.00 0.00 O ATOM 241 CB VAL A 133 4.951 3.964 -0.465 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.510 2.984 -1.485 1.00 0.00 C ATOM 243 CG2 VAL A 133 4.203 3.227 0.636 1.00 0.00 C ATOM 0 H VAL A 133 4.551 5.787 1.206 1.00 0.00 H new ATOM 0 HA VAL A 133 6.802 4.179 0.619 1.00 0.00 H new ATOM 0 HB VAL A 133 4.247 4.621 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.699 2.381 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 133 5.994 3.535 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.238 2.332 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.412 2.620 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.895 2.583 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.765 3.949 1.325 1.00 0.00 H new ATOM 253 N LYS A 134 6.193 6.763 -1.322 1.00 0.00 N ATOM 254 CA LYS A 134 6.730 7.613 -2.379 1.00 0.00 C ATOM 255 C LYS A 134 8.037 8.269 -1.939 1.00 0.00 C ATOM 256 O LYS A 134 8.951 8.454 -2.744 1.00 0.00 O ATOM 257 CB LYS A 134 5.705 8.685 -2.755 1.00 0.00 C ATOM 258 CG LYS A 134 5.981 9.358 -4.089 1.00 0.00 C ATOM 259 CD LYS A 134 4.957 10.443 -4.382 1.00 0.00 C ATOM 260 CE LYS A 134 5.010 10.879 -5.837 1.00 0.00 C ATOM 261 NZ LYS A 134 4.656 9.768 -6.764 1.00 0.00 N ATOM 0 H LYS A 134 5.359 7.136 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 134 6.937 6.991 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.714 8.232 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.684 9.444 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 134 6.981 9.791 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 134 5.963 8.614 -4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.958 10.075 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.140 11.302 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 134 4.325 11.713 -5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 134 6.011 11.242 -6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.374 10.161 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.480 9.146 -6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 3.867 9.221 -6.365 1.00 0.00 H new ATOM 275 N LEU A 135 8.119 8.616 -0.658 1.00 0.00 N ATOM 276 CA LEU A 135 9.312 9.257 -0.111 1.00 0.00 C ATOM 277 C LEU A 135 10.473 8.271 -0.016 1.00 0.00 C ATOM 278 O LEU A 135 11.559 8.525 -0.536 1.00 0.00 O ATOM 279 CB LEU A 135 9.017 9.842 1.272 1.00 0.00 C ATOM 280 CG LEU A 135 10.204 10.528 1.952 1.00 0.00 C ATOM 281 CD1 LEU A 135 10.621 11.770 1.178 1.00 0.00 C ATOM 282 CD2 LEU A 135 9.862 10.885 3.390 1.00 0.00 C ATOM 0 H LEU A 135 7.374 8.464 0.021 1.00 0.00 H new ATOM 0 HA LEU A 135 9.597 10.062 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.205 10.563 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.660 9.041 1.920 1.00 0.00 H new ATOM 0 HG LEU A 135 11.043 9.832 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 135 11.466 12.243 1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.910 11.488 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.786 12.470 1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.718 11.372 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 135 9.008 11.562 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 135 9.615 9.978 3.941 1.00 0.00 H new ATOM 294 N GLN A 136 10.236 7.149 0.658 1.00 0.00 N ATOM 295 CA GLN A 136 11.263 6.127 0.826 1.00 0.00 C ATOM 296 C GLN A 136 11.718 5.579 -0.522 1.00 0.00 C ATOM 297 O GLN A 136 12.871 5.178 -0.682 1.00 0.00 O ATOM 298 CB GLN A 136 10.740 4.990 1.705 1.00 0.00 C ATOM 299 CG GLN A 136 10.374 5.428 3.114 1.00 0.00 C ATOM 300 CD GLN A 136 11.550 6.018 3.867 1.00 0.00 C ATOM 301 OE1 GLN A 136 11.790 7.224 3.819 1.00 0.00 O ATOM 302 NE2 GLN A 136 12.293 5.167 4.567 1.00 0.00 N ATOM 0 H GLN A 136 9.342 6.925 1.096 1.00 0.00 H new ATOM 0 HA GLN A 136 12.122 6.589 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 136 9.863 4.550 1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 136 11.497 4.208 1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 136 9.573 6.165 3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 136 9.986 4.572 3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 136 12.058 4.175 4.579 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.099 5.506 5.092 1.00 0.00 H new ATOM 311 N PHE A 137 10.806 5.563 -1.489 1.00 0.00 N ATOM 312 CA PHE A 137 11.117 5.067 -2.824 1.00 0.00 C ATOM 313 C PHE A 137 10.854 6.137 -3.877 1.00 0.00 C ATOM 314 O PHE A 137 9.723 6.310 -4.333 1.00 0.00 O ATOM 315 CB PHE A 137 10.295 3.814 -3.131 1.00 0.00 C ATOM 316 CG PHE A 137 10.561 2.677 -2.186 1.00 0.00 C ATOM 317 CD1 PHE A 137 11.557 1.751 -2.456 1.00 0.00 C ATOM 318 CD2 PHE A 137 9.817 2.535 -1.025 1.00 0.00 C ATOM 319 CE1 PHE A 137 11.806 0.705 -1.587 1.00 0.00 C ATOM 320 CE2 PHE A 137 10.062 1.491 -0.153 1.00 0.00 C ATOM 321 CZ PHE A 137 11.057 0.575 -0.433 1.00 0.00 C ATOM 0 H PHE A 137 9.846 5.888 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 137 12.176 4.811 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 137 9.235 4.066 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 137 10.510 3.488 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 137 12.146 1.848 -3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 137 9.038 3.248 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 137 12.585 -0.009 -1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 137 9.475 1.391 0.748 1.00 0.00 H new ATOM 0 HZ PHE A 137 11.249 -0.241 0.248 1.00 0.00 H new ATOM 331 N GLY A 138 11.906 6.857 -4.254 1.00 0.00 N ATOM 332 CA GLY A 138 11.773 7.906 -5.249 1.00 0.00 C ATOM 333 C GLY A 138 12.453 7.549 -6.555 1.00 0.00 C ATOM 334 O GLY A 138 11.903 7.777 -7.633 1.00 0.00 O ATOM 0 H GLY A 138 12.850 6.733 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 138 10.716 8.097 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 138 12.201 8.830 -4.860 1.00 0.00 H new ATOM 338 N SER A 139 13.654 6.988 -6.459 1.00 0.00 N ATOM 339 CA SER A 139 14.411 6.595 -7.640 1.00 0.00 C ATOM 340 C SER A 139 13.858 5.302 -8.233 1.00 0.00 C ATOM 341 O SER A 139 14.280 4.869 -9.306 1.00 0.00 O ATOM 342 CB SER A 139 15.889 6.418 -7.288 1.00 0.00 C ATOM 343 OG SER A 139 16.064 5.411 -6.307 1.00 0.00 O ATOM 0 H SER A 139 14.124 6.796 -5.574 1.00 0.00 H new ATOM 0 HA SER A 139 14.315 7.386 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 139 16.451 6.157 -8.185 1.00 0.00 H new ATOM 0 HB3 SER A 139 16.294 7.361 -6.921 1.00 0.00 H new ATOM 0 HG SER A 139 17.018 5.317 -6.101 1.00 0.00 H new ATOM 349 N GLN A 140 12.912 4.690 -7.527 1.00 0.00 N ATOM 350 CA GLN A 140 12.297 3.448 -7.982 1.00 0.00 C ATOM 351 C GLN A 140 10.782 3.610 -8.121 1.00 0.00 C ATOM 352 O GLN A 140 10.032 3.290 -7.199 1.00 0.00 O ATOM 353 CB GLN A 140 12.615 2.310 -7.010 1.00 0.00 C ATOM 354 CG GLN A 140 14.104 2.056 -6.833 1.00 0.00 C ATOM 355 CD GLN A 140 14.787 1.665 -8.129 1.00 0.00 C ATOM 356 OE1 GLN A 140 14.180 1.044 -9.003 1.00 0.00 O ATOM 357 NE2 GLN A 140 16.056 2.029 -8.261 1.00 0.00 N ATOM 0 H GLN A 140 12.554 5.035 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 140 12.709 3.204 -8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 140 12.177 2.540 -6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 140 12.139 1.396 -7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 140 14.577 2.953 -6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.249 1.265 -6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 140 16.520 2.542 -7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 140 16.568 1.795 -9.112 1.00 0.00 H new ATOM 366 N PRO A 141 10.311 4.118 -9.276 1.00 0.00 N ATOM 367 CA PRO A 141 8.880 4.320 -9.524 1.00 0.00 C ATOM 368 C PRO A 141 8.142 3.010 -9.779 1.00 0.00 C ATOM 369 O PRO A 141 6.916 2.949 -9.688 1.00 0.00 O ATOM 370 CB PRO A 141 8.861 5.193 -10.780 1.00 0.00 C ATOM 371 CG PRO A 141 10.118 4.842 -11.496 1.00 0.00 C ATOM 372 CD PRO A 141 11.135 4.541 -10.429 1.00 0.00 C ATOM 0 HA PRO A 141 8.378 4.766 -8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 141 7.984 4.987 -11.393 1.00 0.00 H new ATOM 0 HB3 PRO A 141 8.831 6.253 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 141 9.969 3.980 -12.146 1.00 0.00 H new ATOM 0 HG3 PRO A 141 10.449 5.665 -12.129 1.00 0.00 H new ATOM 0 HD2 PRO A 141 11.823 3.755 -10.741 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.738 5.417 -10.191 1.00 0.00 H new ATOM 380 N GLN A 142 8.898 1.964 -10.096 1.00 0.00 N ATOM 381 CA GLN A 142 8.316 0.653 -10.365 1.00 0.00 C ATOM 382 C GLN A 142 7.704 0.063 -9.099 1.00 0.00 C ATOM 383 O GLN A 142 6.772 -0.740 -9.163 1.00 0.00 O ATOM 384 CB GLN A 142 9.378 -0.296 -10.923 1.00 0.00 C ATOM 385 CG GLN A 142 8.828 -1.651 -11.338 1.00 0.00 C ATOM 386 CD GLN A 142 9.904 -2.579 -11.865 1.00 0.00 C ATOM 387 OE1 GLN A 142 10.904 -2.133 -12.428 1.00 0.00 O ATOM 388 NE2 GLN A 142 9.703 -3.880 -11.687 1.00 0.00 N ATOM 0 H GLN A 142 9.915 1.998 -10.173 1.00 0.00 H new ATOM 0 HA GLN A 142 7.527 0.777 -11.106 1.00 0.00 H new ATOM 0 HB2 GLN A 142 9.855 0.172 -11.784 1.00 0.00 H new ATOM 0 HB3 GLN A 142 10.153 -0.443 -10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 142 8.338 -2.117 -10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 142 8.066 -1.511 -12.105 1.00 0.00 H new ATOM 0 HE21 GLN A 142 8.860 -4.206 -11.215 1.00 0.00 H new ATOM 0 HE22 GLN A 142 10.392 -4.553 -12.022 1.00 0.00 H new ATOM 397 N VAL A 143 8.238 0.465 -7.950 1.00 0.00 N ATOM 398 CA VAL A 143 7.750 -0.024 -6.666 1.00 0.00 C ATOM 399 C VAL A 143 6.426 0.636 -6.296 1.00 0.00 C ATOM 400 O VAL A 143 5.455 -0.045 -5.963 1.00 0.00 O ATOM 401 CB VAL A 143 8.772 0.233 -5.543 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.255 -0.296 -4.214 1.00 0.00 C ATOM 403 CG2 VAL A 143 10.115 -0.395 -5.889 1.00 0.00 C ATOM 0 H VAL A 143 9.010 1.129 -7.882 1.00 0.00 H new ATOM 0 HA VAL A 143 7.600 -1.099 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 143 8.913 1.310 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.992 -0.104 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.321 0.206 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.081 -1.369 -4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.825 -0.203 -5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.992 -1.471 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.491 0.039 -6.815 1.00 0.00 H new ATOM 413 N TYR A 144 6.395 1.964 -6.354 1.00 0.00 N ATOM 414 CA TYR A 144 5.191 2.718 -6.026 1.00 0.00 C ATOM 415 C TYR A 144 4.035 2.311 -6.933 1.00 0.00 C ATOM 416 O TYR A 144 2.914 2.088 -6.470 1.00 0.00 O ATOM 417 CB TYR A 144 5.458 4.219 -6.155 1.00 0.00 C ATOM 418 CG TYR A 144 4.325 5.088 -5.658 1.00 0.00 C ATOM 419 CD1 TYR A 144 4.046 5.189 -4.300 1.00 0.00 C ATOM 420 CD2 TYR A 144 3.536 5.810 -6.545 1.00 0.00 C ATOM 421 CE1 TYR A 144 3.013 5.985 -3.841 1.00 0.00 C ATOM 422 CE2 TYR A 144 2.501 6.608 -6.093 1.00 0.00 C ATOM 423 CZ TYR A 144 2.244 6.691 -4.740 1.00 0.00 C ATOM 424 OH TYR A 144 1.216 7.485 -4.287 1.00 0.00 O ATOM 0 H TYR A 144 7.192 2.540 -6.626 1.00 0.00 H new ATOM 0 HA TYR A 144 4.915 2.494 -4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.363 4.466 -5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 144 5.652 4.455 -7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 144 4.646 4.637 -3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 144 3.734 5.747 -7.605 1.00 0.00 H new ATOM 0 HE1 TYR A 144 2.810 6.053 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 144 1.897 7.163 -6.795 1.00 0.00 H new ATOM 0 HH TYR A 144 0.774 7.914 -5.049 1.00 0.00 H new ATOM 434 N ASN A 145 4.316 2.213 -8.230 1.00 0.00 N ATOM 435 CA ASN A 145 3.303 1.828 -9.205 1.00 0.00 C ATOM 436 C ASN A 145 2.727 0.456 -8.868 1.00 0.00 C ATOM 437 O ASN A 145 1.510 0.277 -8.827 1.00 0.00 O ATOM 438 CB ASN A 145 3.897 1.816 -10.613 1.00 0.00 C ATOM 439 CG ASN A 145 2.879 1.423 -11.667 1.00 0.00 C ATOM 440 OD1 ASN A 145 2.727 0.246 -11.991 1.00 0.00 O ATOM 441 ND2 ASN A 145 2.172 2.412 -12.204 1.00 0.00 N ATOM 0 H ASN A 145 5.237 2.395 -8.629 1.00 0.00 H new ATOM 0 HA ASN A 145 2.498 2.562 -9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.294 2.804 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.736 1.121 -10.645 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.470 2.209 -12.915 1.00 0.00 H new ATOM 0 HD22 ASN A 145 2.332 3.374 -11.905 1.00 0.00 H new ATOM 448 N ASP A 146 3.613 -0.507 -8.625 1.00 0.00 N ATOM 449 CA ASP A 146 3.197 -1.863 -8.286 1.00 0.00 C ATOM 450 C ASP A 146 2.256 -1.854 -7.087 1.00 0.00 C ATOM 451 O ASP A 146 1.207 -2.501 -7.105 1.00 0.00 O ATOM 452 CB ASP A 146 4.419 -2.735 -7.988 1.00 0.00 C ATOM 453 CG ASP A 146 4.038 -4.154 -7.616 1.00 0.00 C ATOM 454 OD1 ASP A 146 3.856 -4.981 -8.536 1.00 0.00 O ATOM 455 OD2 ASP A 146 3.922 -4.440 -6.406 1.00 0.00 O ATOM 0 H ASP A 146 4.624 -0.372 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 146 2.665 -2.281 -9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.071 -2.754 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 146 4.990 -2.289 -7.174 1.00 0.00 H new ATOM 460 N PHE A 147 2.640 -1.120 -6.045 1.00 0.00 N ATOM 461 CA PHE A 147 1.823 -1.019 -4.842 1.00 0.00 C ATOM 462 C PHE A 147 0.415 -0.554 -5.192 1.00 0.00 C ATOM 463 O PHE A 147 -0.572 -1.109 -4.708 1.00 0.00 O ATOM 464 CB PHE A 147 2.459 -0.052 -3.841 1.00 0.00 C ATOM 465 CG PHE A 147 1.658 0.113 -2.580 1.00 0.00 C ATOM 466 CD1 PHE A 147 1.699 -0.851 -1.586 1.00 0.00 C ATOM 467 CD2 PHE A 147 0.863 1.232 -2.392 1.00 0.00 C ATOM 468 CE1 PHE A 147 0.960 -0.703 -0.428 1.00 0.00 C ATOM 469 CE2 PHE A 147 0.123 1.386 -1.237 1.00 0.00 C ATOM 470 CZ PHE A 147 0.171 0.417 -0.252 1.00 0.00 C ATOM 0 H PHE A 147 3.510 -0.588 -6.011 1.00 0.00 H new ATOM 0 HA PHE A 147 1.764 -2.007 -4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.456 -0.409 -3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.581 0.922 -4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.315 -1.728 -1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.822 1.992 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 147 0.999 -1.462 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.493 2.263 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.407 0.535 0.653 1.00 0.00 H new ATOM 480 N LEU A 148 0.330 0.471 -6.037 1.00 0.00 N ATOM 481 CA LEU A 148 -0.960 1.007 -6.458 1.00 0.00 C ATOM 482 C LEU A 148 -1.808 -0.080 -7.111 1.00 0.00 C ATOM 483 O LEU A 148 -3.000 -0.201 -6.830 1.00 0.00 O ATOM 484 CB LEU A 148 -0.764 2.171 -7.433 1.00 0.00 C ATOM 485 CG LEU A 148 -0.109 3.421 -6.840 1.00 0.00 C ATOM 486 CD1 LEU A 148 0.114 4.466 -7.920 1.00 0.00 C ATOM 487 CD2 LEU A 148 -0.961 3.991 -5.715 1.00 0.00 C ATOM 0 H LEU A 148 1.137 0.945 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.481 1.372 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -0.156 1.824 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.736 2.449 -7.840 1.00 0.00 H new ATOM 0 HG LEU A 148 0.859 3.138 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 148 0.580 5.348 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 148 0.765 4.057 -8.693 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.843 4.743 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -0.478 4.879 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -1.944 4.258 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -1.072 3.244 -4.929 1.00 0.00 H new ATOM 499 N ASP A 149 -1.185 -0.868 -7.982 1.00 0.00 N ATOM 500 CA ASP A 149 -1.884 -1.947 -8.673 1.00 0.00 C ATOM 501 C ASP A 149 -2.499 -2.923 -7.676 1.00 0.00 C ATOM 502 O ASP A 149 -3.651 -3.330 -7.822 1.00 0.00 O ATOM 503 CB ASP A 149 -0.930 -2.693 -9.608 1.00 0.00 C ATOM 504 CG ASP A 149 -0.429 -1.823 -10.744 1.00 0.00 C ATOM 505 OD1 ASP A 149 -1.208 -1.576 -11.688 1.00 0.00 O ATOM 506 OD2 ASP A 149 0.741 -1.392 -10.690 1.00 0.00 O ATOM 0 H ASP A 149 -0.199 -0.780 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.685 -1.502 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.079 -3.061 -9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -1.438 -3.565 -10.020 1.00 0.00 H new ATOM 511 N ILE A 150 -1.722 -3.294 -6.663 1.00 0.00 N ATOM 512 CA ILE A 150 -2.190 -4.223 -5.641 1.00 0.00 C ATOM 513 C ILE A 150 -3.415 -3.671 -4.915 1.00 0.00 C ATOM 514 O ILE A 150 -4.402 -4.380 -4.716 1.00 0.00 O ATOM 515 CB ILE A 150 -1.086 -4.525 -4.608 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.170 -5.040 -5.312 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.581 -5.539 -3.586 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.363 -5.194 -4.390 1.00 0.00 C ATOM 0 H ILE A 150 -0.766 -2.965 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.460 -5.147 -6.153 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.835 -3.603 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -0.050 -6.004 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.431 -4.355 -6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.791 -5.742 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.452 -5.138 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.855 -6.464 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.217 -5.563 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.610 -4.228 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.121 -5.902 -3.597 1.00 0.00 H new ATOM 530 N MET A 151 -3.344 -2.402 -4.525 1.00 0.00 N ATOM 531 CA MET A 151 -4.447 -1.757 -3.822 1.00 0.00 C ATOM 532 C MET A 151 -5.702 -1.723 -4.689 1.00 0.00 C ATOM 533 O MET A 151 -6.819 -1.841 -4.183 1.00 0.00 O ATOM 534 CB MET A 151 -4.059 -0.335 -3.408 1.00 0.00 C ATOM 535 CG MET A 151 -2.918 -0.278 -2.401 1.00 0.00 C ATOM 536 SD MET A 151 -3.489 -0.127 -0.694 1.00 0.00 S ATOM 537 CE MET A 151 -4.308 -1.702 -0.455 1.00 0.00 C ATOM 0 H MET A 151 -2.535 -1.801 -4.684 1.00 0.00 H new ATOM 0 HA MET A 151 -4.662 -2.341 -2.927 1.00 0.00 H new ATOM 0 HB2 MET A 151 -3.775 0.228 -4.297 1.00 0.00 H new ATOM 0 HB3 MET A 151 -4.932 0.161 -2.983 1.00 0.00 H new ATOM 0 HG2 MET A 151 -2.311 -1.178 -2.497 1.00 0.00 H new ATOM 0 HG3 MET A 151 -2.273 0.568 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.411 -1.900 0.612 1.00 0.00 H new ATOM 0 HE2 MET A 151 -5.295 -1.672 -0.916 1.00 0.00 H new ATOM 0 HE3 MET A 151 -3.717 -2.493 -0.916 1.00 0.00 H new ATOM 547 N LYS A 152 -5.512 -1.564 -5.995 1.00 0.00 N ATOM 548 CA LYS A 152 -6.631 -1.516 -6.929 1.00 0.00 C ATOM 549 C LYS A 152 -7.306 -2.880 -7.045 1.00 0.00 C ATOM 550 O LYS A 152 -8.532 -2.970 -7.113 1.00 0.00 O ATOM 551 CB LYS A 152 -6.157 -1.043 -8.305 1.00 0.00 C ATOM 552 CG LYS A 152 -5.705 0.410 -8.324 1.00 0.00 C ATOM 553 CD LYS A 152 -5.226 0.831 -9.705 1.00 0.00 C ATOM 554 CE LYS A 152 -6.370 0.877 -10.708 1.00 0.00 C ATOM 555 NZ LYS A 152 -7.403 1.880 -10.329 1.00 0.00 N ATOM 0 H LYS A 152 -4.595 -1.466 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 152 -7.362 -0.805 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -5.333 -1.676 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -6.966 -1.173 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -6.529 1.052 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -4.901 0.551 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -4.756 1.813 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -4.464 0.134 -10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -5.977 1.117 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -6.830 -0.109 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -8.002 2.090 -11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -7.992 1.499 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -6.938 2.753 -10.008 1.00 0.00 H new ATOM 569 N GLU A 153 -6.500 -3.938 -7.066 1.00 0.00 N ATOM 570 CA GLU A 153 -7.024 -5.296 -7.171 1.00 0.00 C ATOM 571 C GLU A 153 -7.861 -5.650 -5.946 1.00 0.00 C ATOM 572 O GLU A 153 -8.950 -6.212 -6.068 1.00 0.00 O ATOM 573 CB GLU A 153 -5.880 -6.298 -7.334 1.00 0.00 C ATOM 574 CG GLU A 153 -5.130 -6.149 -8.648 1.00 0.00 C ATOM 575 CD GLU A 153 -3.989 -7.139 -8.783 1.00 0.00 C ATOM 576 OE1 GLU A 153 -4.245 -8.287 -9.201 1.00 0.00 O ATOM 577 OE2 GLU A 153 -2.839 -6.763 -8.473 1.00 0.00 O ATOM 0 H GLU A 153 -5.483 -3.881 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.664 -5.346 -8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -5.179 -6.176 -6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -6.280 -7.310 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -5.825 -6.286 -9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.738 -5.135 -8.725 1.00 0.00 H new ATOM 584 N PHE A 154 -7.345 -5.321 -4.766 1.00 0.00 N ATOM 585 CA PHE A 154 -8.049 -5.603 -3.521 1.00 0.00 C ATOM 586 C PHE A 154 -9.283 -4.716 -3.383 1.00 0.00 C ATOM 587 O PHE A 154 -10.283 -5.117 -2.786 1.00 0.00 O ATOM 588 CB PHE A 154 -7.119 -5.400 -2.324 1.00 0.00 C ATOM 589 CG PHE A 154 -7.788 -5.612 -0.995 1.00 0.00 C ATOM 590 CD1 PHE A 154 -8.140 -6.886 -0.576 1.00 0.00 C ATOM 591 CD2 PHE A 154 -8.067 -4.537 -0.166 1.00 0.00 C ATOM 592 CE1 PHE A 154 -8.757 -7.083 0.646 1.00 0.00 C ATOM 593 CE2 PHE A 154 -8.683 -4.728 1.056 1.00 0.00 C ATOM 594 CZ PHE A 154 -9.029 -6.002 1.461 1.00 0.00 C ATOM 0 H PHE A 154 -6.443 -4.860 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 154 -8.373 -6.644 -3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -6.276 -6.086 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.712 -4.389 -2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.930 -7.734 -1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -7.800 -3.538 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -9.025 -8.080 0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -8.894 -3.882 1.694 1.00 0.00 H new ATOM 0 HZ PHE A 154 -9.512 -6.153 2.415 1.00 0.00 H new ATOM 604 N LYS A 155 -9.206 -3.508 -3.937 1.00 0.00 N ATOM 605 CA LYS A 155 -10.320 -2.568 -3.877 1.00 0.00 C ATOM 606 C LYS A 155 -11.559 -3.152 -4.545 1.00 0.00 C ATOM 607 O LYS A 155 -12.654 -3.124 -3.981 1.00 0.00 O ATOM 608 CB LYS A 155 -9.939 -1.246 -4.549 1.00 0.00 C ATOM 609 CG LYS A 155 -11.065 -0.222 -4.568 1.00 0.00 C ATOM 610 CD LYS A 155 -11.424 0.247 -3.165 1.00 0.00 C ATOM 611 CE LYS A 155 -10.296 1.052 -2.539 1.00 0.00 C ATOM 612 NZ LYS A 155 -9.910 2.216 -3.386 1.00 0.00 N ATOM 0 H LYS A 155 -8.385 -3.159 -4.431 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.548 -2.380 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -9.081 -0.819 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -9.625 -1.447 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -10.768 0.635 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -11.945 -0.657 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -12.328 0.855 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -11.647 -0.616 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -10.604 1.405 -1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -9.429 0.408 -2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -9.389 2.907 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -9.305 1.891 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -10.766 2.662 -3.773 1.00 0.00 H new ATOM 626 N SER A 156 -11.380 -3.680 -5.752 1.00 0.00 N ATOM 627 CA SER A 156 -12.483 -4.273 -6.499 1.00 0.00 C ATOM 628 C SER A 156 -12.730 -5.710 -6.050 1.00 0.00 C ATOM 629 O SER A 156 -13.455 -6.459 -6.705 1.00 0.00 O ATOM 630 CB SER A 156 -12.183 -4.239 -7.999 1.00 0.00 C ATOM 631 OG SER A 156 -13.265 -4.763 -8.748 1.00 0.00 O ATOM 0 H SER A 156 -10.481 -3.709 -6.233 1.00 0.00 H new ATOM 0 HA SER A 156 -13.382 -3.690 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 156 -11.984 -3.213 -8.310 1.00 0.00 H new ATOM 0 HB3 SER A 156 -11.281 -4.815 -8.206 1.00 0.00 H new ATOM 0 HG SER A 156 -13.673 -5.507 -8.257 1.00 0.00 H new ATOM 637 N GLN A 157 -12.124 -6.082 -4.924 1.00 0.00 N ATOM 638 CA GLN A 157 -12.268 -7.427 -4.374 1.00 0.00 C ATOM 639 C GLN A 157 -11.763 -8.476 -5.359 1.00 0.00 C ATOM 640 O GLN A 157 -12.477 -8.874 -6.280 1.00 0.00 O ATOM 641 CB GLN A 157 -13.730 -7.702 -4.011 1.00 0.00 C ATOM 642 CG GLN A 157 -13.944 -9.033 -3.307 1.00 0.00 C ATOM 643 CD GLN A 157 -13.207 -9.120 -1.986 1.00 0.00 C ATOM 644 OE1 GLN A 157 -12.988 -8.109 -1.315 1.00 0.00 O ATOM 645 NE2 GLN A 157 -12.822 -10.331 -1.601 1.00 0.00 N ATOM 0 H GLN A 157 -11.526 -5.467 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 157 -11.663 -7.489 -3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -14.093 -6.899 -3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.331 -7.681 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.010 -9.181 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.611 -9.841 -3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -13.024 -11.141 -2.187 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -12.324 -10.451 -0.719 1.00 0.00 H new ATOM 654 N SER A 158 -10.525 -8.917 -5.160 1.00 0.00 N ATOM 655 CA SER A 158 -9.921 -9.919 -6.028 1.00 0.00 C ATOM 656 C SER A 158 -9.036 -10.869 -5.227 1.00 0.00 C ATOM 657 O SER A 158 -8.931 -12.054 -5.547 1.00 0.00 O ATOM 658 CB SER A 158 -9.098 -9.243 -7.126 1.00 0.00 C ATOM 659 OG SER A 158 -8.512 -10.202 -7.990 1.00 0.00 O ATOM 0 H SER A 158 -9.921 -8.595 -4.404 1.00 0.00 H new ATOM 0 HA SER A 158 -10.723 -10.497 -6.487 1.00 0.00 H new ATOM 0 HB2 SER A 158 -9.736 -8.572 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.317 -8.631 -6.675 1.00 0.00 H new ATOM 0 HG SER A 158 -7.993 -9.744 -8.683 1.00 0.00 H new ATOM 665 N ILE A 159 -8.404 -10.340 -4.184 1.00 0.00 N ATOM 666 CA ILE A 159 -7.527 -11.137 -3.335 1.00 0.00 C ATOM 667 C ILE A 159 -7.981 -11.087 -1.879 1.00 0.00 C ATOM 668 O ILE A 159 -8.648 -10.141 -1.458 1.00 0.00 O ATOM 669 CB ILE A 159 -6.066 -10.658 -3.428 1.00 0.00 C ATOM 670 CG1 ILE A 159 -5.960 -9.182 -3.035 1.00 0.00 C ATOM 671 CG2 ILE A 159 -5.532 -10.880 -4.837 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.537 -8.665 -2.982 1.00 0.00 C ATOM 0 H ILE A 159 -8.483 -9.362 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 159 -7.584 -12.164 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.461 -11.239 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.528 -8.584 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.425 -9.041 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -4.498 -10.538 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -5.577 -11.942 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -6.138 -10.319 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.542 -7.613 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -3.969 -9.237 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.074 -8.773 -3.963 1.00 0.00 H new ATOM 684 N ASP A 160 -7.616 -12.113 -1.118 1.00 0.00 N ATOM 685 CA ASP A 160 -7.987 -12.192 0.291 1.00 0.00 C ATOM 686 C ASP A 160 -7.130 -11.258 1.139 1.00 0.00 C ATOM 687 O ASP A 160 -6.314 -10.498 0.614 1.00 0.00 O ATOM 688 CB ASP A 160 -7.847 -13.630 0.792 1.00 0.00 C ATOM 689 CG ASP A 160 -8.740 -14.594 0.036 1.00 0.00 C ATOM 690 OD1 ASP A 160 -8.342 -15.034 -1.063 1.00 0.00 O ATOM 691 OD2 ASP A 160 -9.839 -14.907 0.542 1.00 0.00 O ATOM 0 H ASP A 160 -7.063 -12.902 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 160 -9.027 -11.878 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -6.809 -13.947 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -8.092 -13.668 1.853 1.00 0.00 H new ATOM 696 N THR A 161 -7.322 -11.320 2.453 1.00 0.00 N ATOM 697 CA THR A 161 -6.570 -10.481 3.380 1.00 0.00 C ATOM 698 C THR A 161 -5.105 -10.921 3.479 1.00 0.00 C ATOM 699 O THR A 161 -4.201 -10.096 3.331 1.00 0.00 O ATOM 700 CB THR A 161 -7.205 -10.480 4.785 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.590 -10.125 4.695 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.489 -9.502 5.705 1.00 0.00 C ATOM 0 H THR A 161 -7.993 -11.944 2.901 1.00 0.00 H new ATOM 0 HA THR A 161 -6.603 -9.468 2.980 1.00 0.00 H new ATOM 0 HB THR A 161 -7.110 -11.483 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 161 -8.987 -10.128 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 161 -6.956 -9.520 6.690 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.441 -9.788 5.795 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.556 -8.496 5.290 1.00 0.00 H new ATOM 710 N PRO A 162 -4.833 -12.223 3.726 1.00 0.00 N ATOM 711 CA PRO A 162 -3.458 -12.722 3.832 1.00 0.00 C ATOM 712 C PRO A 162 -2.691 -12.545 2.528 1.00 0.00 C ATOM 713 O PRO A 162 -1.463 -12.451 2.523 1.00 0.00 O ATOM 714 CB PRO A 162 -3.627 -14.210 4.156 1.00 0.00 C ATOM 715 CG PRO A 162 -5.007 -14.548 3.709 1.00 0.00 C ATOM 716 CD PRO A 162 -5.821 -13.304 3.913 1.00 0.00 C ATOM 0 HA PRO A 162 -2.886 -12.181 4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -2.884 -14.814 3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -3.500 -14.399 5.222 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -5.015 -14.853 2.663 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -5.412 -15.379 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -6.637 -13.233 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.269 -13.274 4.906 1.00 0.00 H new ATOM 724 N GLY A 163 -3.429 -12.498 1.423 1.00 0.00 N ATOM 725 CA GLY A 163 -2.812 -12.332 0.122 1.00 0.00 C ATOM 726 C GLY A 163 -2.218 -10.951 -0.072 1.00 0.00 C ATOM 727 O GLY A 163 -1.077 -10.819 -0.515 1.00 0.00 O ATOM 0 H GLY A 163 -4.446 -12.572 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -2.029 -13.080 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -3.555 -12.516 -0.654 1.00 0.00 H new ATOM 731 N VAL A 164 -2.988 -9.917 0.261 1.00 0.00 N ATOM 732 CA VAL A 164 -2.517 -8.546 0.112 1.00 0.00 C ATOM 733 C VAL A 164 -1.426 -8.229 1.131 1.00 0.00 C ATOM 734 O VAL A 164 -0.442 -7.567 0.806 1.00 0.00 O ATOM 735 CB VAL A 164 -3.665 -7.523 0.252 1.00 0.00 C ATOM 736 CG1 VAL A 164 -4.307 -7.605 1.628 1.00 0.00 C ATOM 737 CG2 VAL A 164 -3.161 -6.114 -0.025 1.00 0.00 C ATOM 0 H VAL A 164 -3.934 -10.003 0.633 1.00 0.00 H new ATOM 0 HA VAL A 164 -2.106 -8.464 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 164 -4.428 -7.768 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -5.112 -6.873 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.711 -8.605 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.558 -7.395 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -3.984 -5.406 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -2.375 -5.862 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.763 -6.063 -1.039 1.00 0.00 H new ATOM 747 N ILE A 165 -1.602 -8.707 2.360 1.00 0.00 N ATOM 748 CA ILE A 165 -0.622 -8.467 3.413 1.00 0.00 C ATOM 749 C ILE A 165 0.724 -9.087 3.053 1.00 0.00 C ATOM 750 O ILE A 165 1.769 -8.449 3.189 1.00 0.00 O ATOM 751 CB ILE A 165 -1.092 -9.031 4.769 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.410 -8.374 5.188 1.00 0.00 C ATOM 753 CG2 ILE A 165 -0.022 -8.817 5.833 1.00 0.00 C ATOM 754 CD1 ILE A 165 -3.008 -8.960 6.450 1.00 0.00 C ATOM 0 H ILE A 165 -2.409 -9.259 2.649 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.513 -7.386 3.504 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.259 -10.103 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -2.243 -7.307 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -3.130 -8.473 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.369 -9.221 6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 165 0.894 -9.327 5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.175 -7.750 5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -3.939 -8.445 6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -3.208 -10.021 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -2.307 -8.837 7.276 1.00 0.00 H new ATOM 766 N SER A 166 0.693 -10.333 2.591 1.00 0.00 N ATOM 767 CA SER A 166 1.910 -11.038 2.209 1.00 0.00 C ATOM 768 C SER A 166 2.585 -10.353 1.026 1.00 0.00 C ATOM 769 O SER A 166 3.804 -10.183 1.009 1.00 0.00 O ATOM 770 CB SER A 166 1.597 -12.494 1.861 1.00 0.00 C ATOM 771 OG SER A 166 2.771 -13.194 1.488 1.00 0.00 O ATOM 0 H SER A 166 -0.163 -10.875 2.472 1.00 0.00 H new ATOM 0 HA SER A 166 2.593 -11.016 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 166 1.134 -12.984 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.875 -12.529 1.045 1.00 0.00 H new ATOM 0 HG SER A 166 2.544 -14.122 1.272 1.00 0.00 H new ATOM 777 N ARG A 167 1.784 -9.968 0.037 1.00 0.00 N ATOM 778 CA ARG A 167 2.299 -9.300 -1.151 1.00 0.00 C ATOM 779 C ARG A 167 3.072 -8.038 -0.778 1.00 0.00 C ATOM 780 O ARG A 167 4.182 -7.813 -1.262 1.00 0.00 O ATOM 781 CB ARG A 167 1.152 -8.946 -2.094 1.00 0.00 C ATOM 782 CG ARG A 167 1.548 -8.972 -3.558 1.00 0.00 C ATOM 783 CD ARG A 167 0.365 -8.664 -4.462 1.00 0.00 C ATOM 784 NE ARG A 167 0.745 -8.650 -5.871 1.00 0.00 N ATOM 785 CZ ARG A 167 -0.129 -8.555 -6.868 1.00 0.00 C ATOM 786 NH1 ARG A 167 -1.427 -8.463 -6.609 1.00 0.00 N ATOM 787 NH2 ARG A 167 0.294 -8.552 -8.125 1.00 0.00 N ATOM 0 H ARG A 167 0.774 -10.108 0.036 1.00 0.00 H new ATOM 0 HA ARG A 167 2.981 -9.984 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.331 -9.645 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 167 0.778 -7.953 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 167 2.341 -8.245 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 167 1.953 -9.952 -3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -0.416 -9.408 -4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -0.057 -7.696 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 167 1.736 -8.717 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -1.756 -8.465 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -2.096 -8.390 -7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 167 1.291 -8.623 -8.328 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -0.378 -8.479 -8.889 1.00 0.00 H new ATOM 801 N VAL A 168 2.477 -7.217 0.082 1.00 0.00 N ATOM 802 CA VAL A 168 3.111 -5.980 0.522 1.00 0.00 C ATOM 803 C VAL A 168 4.386 -6.271 1.306 1.00 0.00 C ATOM 804 O VAL A 168 5.382 -5.558 1.176 1.00 0.00 O ATOM 805 CB VAL A 168 2.161 -5.135 1.396 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.868 -3.895 1.920 1.00 0.00 C ATOM 807 CG2 VAL A 168 0.914 -4.751 0.614 1.00 0.00 C ATOM 0 H VAL A 168 1.557 -7.387 0.488 1.00 0.00 H new ATOM 0 HA VAL A 168 3.358 -5.413 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 168 1.858 -5.739 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 168 2.179 -3.315 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.727 -4.193 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.206 -3.287 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.256 -4.155 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.199 -4.169 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.392 -5.653 0.296 1.00 0.00 H new ATOM 817 N SER A 169 4.348 -7.322 2.119 1.00 0.00 N ATOM 818 CA SER A 169 5.498 -7.709 2.921 1.00 0.00 C ATOM 819 C SER A 169 6.691 -8.047 2.033 1.00 0.00 C ATOM 820 O SER A 169 7.831 -7.707 2.351 1.00 0.00 O ATOM 821 CB SER A 169 5.141 -8.907 3.800 1.00 0.00 C ATOM 822 OG SER A 169 4.112 -8.580 4.718 1.00 0.00 O ATOM 0 H SER A 169 3.531 -7.920 2.238 1.00 0.00 H new ATOM 0 HA SER A 169 5.773 -6.867 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 169 4.822 -9.739 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 169 6.025 -9.239 4.344 1.00 0.00 H new ATOM 0 HG SER A 169 3.255 -8.532 4.245 1.00 0.00 H new ATOM 828 N GLN A 170 6.421 -8.719 0.917 1.00 0.00 N ATOM 829 CA GLN A 170 7.471 -9.101 -0.021 1.00 0.00 C ATOM 830 C GLN A 170 7.868 -7.916 -0.895 1.00 0.00 C ATOM 831 O GLN A 170 9.006 -7.825 -1.357 1.00 0.00 O ATOM 832 CB GLN A 170 7.003 -10.267 -0.897 1.00 0.00 C ATOM 833 CG GLN A 170 8.049 -10.742 -1.894 1.00 0.00 C ATOM 834 CD GLN A 170 9.283 -11.318 -1.225 1.00 0.00 C ATOM 835 OE1 GLN A 170 10.391 -11.218 -1.751 1.00 0.00 O ATOM 836 NE2 GLN A 170 9.099 -11.930 -0.060 1.00 0.00 N ATOM 0 H GLN A 170 5.483 -9.010 0.641 1.00 0.00 H new ATOM 0 HA GLN A 170 8.343 -9.417 0.551 1.00 0.00 H new ATOM 0 HB2 GLN A 170 6.721 -11.101 -0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 170 6.107 -9.965 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 170 7.608 -11.498 -2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 170 8.343 -9.907 -2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 170 8.163 -11.991 0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 170 9.893 -12.339 0.432 1.00 0.00 H new ATOM 845 N LEU A 171 6.920 -7.010 -1.117 1.00 0.00 N ATOM 846 CA LEU A 171 7.166 -5.828 -1.934 1.00 0.00 C ATOM 847 C LEU A 171 8.156 -4.893 -1.246 1.00 0.00 C ATOM 848 O LEU A 171 9.008 -4.287 -1.896 1.00 0.00 O ATOM 849 CB LEU A 171 5.853 -5.093 -2.214 1.00 0.00 C ATOM 850 CG LEU A 171 5.976 -3.844 -3.090 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.536 -4.201 -4.459 1.00 0.00 C ATOM 852 CD2 LEU A 171 4.625 -3.156 -3.228 1.00 0.00 C ATOM 0 H LEU A 171 5.974 -7.073 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 171 7.598 -6.151 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.163 -5.787 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 171 5.406 -4.806 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 171 6.668 -3.153 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 171 6.615 -3.299 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.523 -4.648 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 171 5.871 -4.912 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 171 4.730 -2.270 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 171 3.913 -3.842 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 171 4.263 -2.863 -2.242 1.00 0.00 H new ATOM 864 N PHE A 172 8.037 -4.782 0.075 1.00 0.00 N ATOM 865 CA PHE A 172 8.923 -3.925 0.854 1.00 0.00 C ATOM 866 C PHE A 172 9.787 -4.759 1.794 1.00 0.00 C ATOM 867 O PHE A 172 9.471 -4.912 2.973 1.00 0.00 O ATOM 868 CB PHE A 172 8.115 -2.902 1.655 1.00 0.00 C ATOM 869 CG PHE A 172 7.194 -2.072 0.810 1.00 0.00 C ATOM 870 CD1 PHE A 172 7.702 -1.126 -0.067 1.00 0.00 C ATOM 871 CD2 PHE A 172 5.823 -2.236 0.892 1.00 0.00 C ATOM 872 CE1 PHE A 172 6.855 -0.360 -0.845 1.00 0.00 C ATOM 873 CE2 PHE A 172 4.972 -1.474 0.117 1.00 0.00 C ATOM 874 CZ PHE A 172 5.488 -0.534 -0.754 1.00 0.00 C ATOM 0 H PHE A 172 7.335 -5.275 0.627 1.00 0.00 H new ATOM 0 HA PHE A 172 9.574 -3.392 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 172 7.529 -3.425 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 172 8.802 -2.242 2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 172 8.770 -0.986 -0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 172 5.413 -2.969 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 172 7.262 0.375 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 172 3.904 -1.613 0.192 1.00 0.00 H new ATOM 0 HZ PHE A 172 4.824 0.063 -1.362 1.00 0.00 H new ATOM 884 N LYS A 173 10.872 -5.305 1.256 1.00 0.00 N ATOM 885 CA LYS A 173 11.789 -6.126 2.038 1.00 0.00 C ATOM 886 C LYS A 173 12.921 -5.278 2.605 1.00 0.00 C ATOM 887 O LYS A 173 13.532 -4.483 1.890 1.00 0.00 O ATOM 888 CB LYS A 173 12.355 -7.254 1.168 1.00 0.00 C ATOM 889 CG LYS A 173 13.331 -8.165 1.897 1.00 0.00 C ATOM 890 CD LYS A 173 13.766 -9.333 1.021 1.00 0.00 C ATOM 891 CE LYS A 173 14.605 -8.869 -0.159 1.00 0.00 C ATOM 892 NZ LYS A 173 15.838 -8.161 0.281 1.00 0.00 N ATOM 0 H LYS A 173 11.139 -5.193 0.278 1.00 0.00 H new ATOM 0 HA LYS A 173 11.239 -6.563 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 173 11.529 -7.854 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 173 12.857 -6.817 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 173 14.207 -7.592 2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 173 12.866 -8.545 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 173 14.339 -10.042 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 173 12.886 -9.862 0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 173 14.879 -9.729 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 173 14.011 -8.206 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 16.513 -8.116 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 15.595 -7.196 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 16.269 -8.675 1.075 1.00 0.00 H new ATOM 906 N GLY A 174 13.197 -5.449 3.894 1.00 0.00 N ATOM 907 CA GLY A 174 14.253 -4.687 4.535 1.00 0.00 C ATOM 908 C GLY A 174 13.745 -3.388 5.128 1.00 0.00 C ATOM 909 O GLY A 174 14.484 -2.678 5.810 1.00 0.00 O ATOM 0 H GLY A 174 12.708 -6.102 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 174 14.707 -5.290 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 174 15.035 -4.471 3.807 1.00 0.00 H new ATOM 913 N HIS A 175 12.478 -3.079 4.869 1.00 0.00 N ATOM 914 CA HIS A 175 11.866 -1.861 5.382 1.00 0.00 C ATOM 915 C HIS A 175 10.756 -2.190 6.380 1.00 0.00 C ATOM 916 O HIS A 175 9.597 -2.346 5.995 1.00 0.00 O ATOM 917 CB HIS A 175 11.302 -1.024 4.230 1.00 0.00 C ATOM 918 CG HIS A 175 12.338 -0.614 3.229 1.00 0.00 C ATOM 919 ND1 HIS A 175 12.959 0.618 3.249 1.00 0.00 N ATOM 920 CD2 HIS A 175 12.861 -1.280 2.172 1.00 0.00 C ATOM 921 CE1 HIS A 175 13.820 0.691 2.249 1.00 0.00 C ATOM 922 NE2 HIS A 175 13.779 -0.446 1.582 1.00 0.00 N ATOM 0 H HIS A 175 11.855 -3.658 4.305 1.00 0.00 H new ATOM 0 HA HIS A 175 12.635 -1.285 5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 175 10.524 -1.595 3.723 1.00 0.00 H new ATOM 0 HB3 HIS A 175 10.828 -0.131 4.638 1.00 0.00 H new ATOM 0 HD2 HIS A 175 12.604 -2.279 1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 175 14.450 1.537 2.018 1.00 0.00 H new ATOM 0 HE2 HIS A 175 14.339 -0.670 0.760 1.00 0.00 H new ATOM 931 N PRO A 176 11.096 -2.311 7.678 1.00 0.00 N ATOM 932 CA PRO A 176 10.115 -2.627 8.721 1.00 0.00 C ATOM 933 C PRO A 176 9.168 -1.465 8.993 1.00 0.00 C ATOM 934 O PRO A 176 8.189 -1.606 9.724 1.00 0.00 O ATOM 935 CB PRO A 176 10.981 -2.911 9.950 1.00 0.00 C ATOM 936 CG PRO A 176 12.231 -2.137 9.718 1.00 0.00 C ATOM 937 CD PRO A 176 12.457 -2.151 8.231 1.00 0.00 C ATOM 0 HA PRO A 176 9.471 -3.459 8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 176 10.484 -2.594 10.867 1.00 0.00 H new ATOM 0 HB3 PRO A 176 11.188 -3.976 10.051 1.00 0.00 H new ATOM 0 HG2 PRO A 176 12.132 -1.117 10.088 1.00 0.00 H new ATOM 0 HG3 PRO A 176 13.072 -2.587 10.245 1.00 0.00 H new ATOM 0 HD2 PRO A 176 12.924 -1.228 7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 176 13.111 -2.970 7.932 1.00 0.00 H new ATOM 945 N ASP A 177 9.467 -0.315 8.396 1.00 0.00 N ATOM 946 CA ASP A 177 8.646 0.877 8.571 1.00 0.00 C ATOM 947 C ASP A 177 7.369 0.789 7.739 1.00 0.00 C ATOM 948 O ASP A 177 6.267 0.973 8.257 1.00 0.00 O ATOM 949 CB ASP A 177 9.439 2.125 8.178 1.00 0.00 C ATOM 950 CG ASP A 177 10.670 2.324 9.042 1.00 0.00 C ATOM 951 OD1 ASP A 177 11.705 1.686 8.754 1.00 0.00 O ATOM 952 OD2 ASP A 177 10.599 3.116 10.005 1.00 0.00 O ATOM 0 H ASP A 177 10.274 -0.184 7.786 1.00 0.00 H new ATOM 0 HA ASP A 177 8.367 0.945 9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 177 9.740 2.047 7.133 1.00 0.00 H new ATOM 0 HB3 ASP A 177 8.796 3.001 8.259 1.00 0.00 H new ATOM 957 N LEU A 178 7.524 0.506 6.449 1.00 0.00 N ATOM 958 CA LEU A 178 6.384 0.400 5.546 1.00 0.00 C ATOM 959 C LEU A 178 5.495 -0.779 5.923 1.00 0.00 C ATOM 960 O LEU A 178 4.270 -0.666 5.924 1.00 0.00 O ATOM 961 CB LEU A 178 6.865 0.252 4.100 1.00 0.00 C ATOM 962 CG LEU A 178 7.386 1.536 3.443 1.00 0.00 C ATOM 963 CD1 LEU A 178 6.290 2.588 3.374 1.00 0.00 C ATOM 964 CD2 LEU A 178 8.597 2.078 4.188 1.00 0.00 C ATOM 0 H LEU A 178 8.429 0.346 6.006 1.00 0.00 H new ATOM 0 HA LEU A 178 5.797 1.314 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.657 -0.496 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 178 6.042 -0.135 3.499 1.00 0.00 H new ATOM 0 HG LEU A 178 7.694 1.291 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 178 6.681 3.491 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 178 5.455 2.206 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 178 5.947 2.823 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 178 8.946 2.989 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 178 8.321 2.301 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 178 9.393 1.333 4.179 1.00 0.00 H new ATOM 976 N ILE A 179 6.119 -1.910 6.239 1.00 0.00 N ATOM 977 CA ILE A 179 5.379 -3.109 6.617 1.00 0.00 C ATOM 978 C ILE A 179 4.536 -2.862 7.866 1.00 0.00 C ATOM 979 O ILE A 179 3.328 -3.099 7.866 1.00 0.00 O ATOM 980 CB ILE A 179 6.330 -4.297 6.872 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.174 -4.572 5.624 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.538 -5.535 7.272 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.215 -5.655 5.820 1.00 0.00 C ATOM 0 H ILE A 179 7.133 -2.021 6.241 1.00 0.00 H new ATOM 0 HA ILE A 179 4.721 -3.355 5.783 1.00 0.00 H new ATOM 0 HB ILE A 179 7.000 -4.042 7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.514 -4.859 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.673 -3.651 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 179 6.223 -6.364 7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.976 -5.329 8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.847 -5.799 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.774 -5.794 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.899 -5.362 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.722 -6.589 6.090 1.00 0.00 H new ATOM 995 N MET A 180 5.181 -2.386 8.926 1.00 0.00 N ATOM 996 CA MET A 180 4.492 -2.106 10.180 1.00 0.00 C ATOM 997 C MET A 180 3.435 -1.022 9.987 1.00 0.00 C ATOM 998 O MET A 180 2.406 -1.017 10.664 1.00 0.00 O ATOM 999 CB MET A 180 5.493 -1.674 11.254 1.00 0.00 C ATOM 1000 CG MET A 180 4.851 -1.377 12.599 1.00 0.00 C ATOM 1001 SD MET A 180 6.034 -0.766 13.815 1.00 0.00 S ATOM 1002 CE MET A 180 7.104 -2.191 13.997 1.00 0.00 C ATOM 0 H MET A 180 6.181 -2.186 8.941 1.00 0.00 H new ATOM 0 HA MET A 180 3.996 -3.020 10.505 1.00 0.00 H new ATOM 0 HB2 MET A 180 6.238 -2.460 11.382 1.00 0.00 H new ATOM 0 HB3 MET A 180 6.022 -0.786 10.909 1.00 0.00 H new ATOM 0 HG2 MET A 180 4.060 -0.639 12.465 1.00 0.00 H new ATOM 0 HG3 MET A 180 4.380 -2.283 12.980 1.00 0.00 H new ATOM 0 HE1 MET A 180 7.702 -2.084 14.902 1.00 0.00 H new ATOM 0 HE2 MET A 180 6.498 -3.094 14.067 1.00 0.00 H new ATOM 0 HE3 MET A 180 7.764 -2.263 13.133 1.00 0.00 H new ATOM 1012 N GLY A 181 3.697 -0.107 9.060 1.00 0.00 N ATOM 1013 CA GLY A 181 2.761 0.969 8.793 1.00 0.00 C ATOM 1014 C GLY A 181 1.521 0.490 8.066 1.00 0.00 C ATOM 1015 O GLY A 181 0.415 0.962 8.333 1.00 0.00 O ATOM 0 H GLY A 181 4.542 -0.091 8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 181 2.470 1.435 9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 181 3.255 1.736 8.197 1.00 0.00 H new ATOM 1019 N PHE A 182 1.703 -0.453 7.146 1.00 0.00 N ATOM 1020 CA PHE A 182 0.591 -1.000 6.380 1.00 0.00 C ATOM 1021 C PHE A 182 -0.270 -1.906 7.252 1.00 0.00 C ATOM 1022 O PHE A 182 -1.486 -1.981 7.077 1.00 0.00 O ATOM 1023 CB PHE A 182 1.113 -1.774 5.166 1.00 0.00 C ATOM 1024 CG PHE A 182 0.025 -2.298 4.272 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.667 -1.444 3.427 1.00 0.00 C ATOM 1026 CD2 PHE A 182 -0.307 -3.643 4.275 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.669 -1.922 2.603 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -1.308 -4.127 3.454 1.00 0.00 C ATOM 1029 CZ PHE A 182 -1.989 -3.266 2.617 1.00 0.00 C ATOM 0 H PHE A 182 2.612 -0.854 6.914 1.00 0.00 H new ATOM 0 HA PHE A 182 -0.026 -0.172 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 182 1.767 -1.124 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.721 -2.610 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 182 -0.420 -0.393 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 182 0.223 -4.322 4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -2.201 -1.246 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.557 -5.178 3.467 1.00 0.00 H new ATOM 0 HZ PHE A 182 -2.771 -3.642 1.974 1.00 0.00 H new ATOM 1039 N ASN A 183 0.372 -2.594 8.194 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.333 -3.491 9.104 1.00 0.00 C ATOM 1041 C ASN A 183 -1.421 -2.741 9.865 1.00 0.00 C ATOM 1042 O ASN A 183 -2.422 -3.327 10.280 1.00 0.00 O ATOM 1043 CB ASN A 183 0.651 -4.126 10.088 1.00 0.00 C ATOM 1044 CG ASN A 183 -0.036 -5.028 11.094 1.00 0.00 C ATOM 1045 OD1 ASN A 183 -0.196 -6.226 10.864 1.00 0.00 O ATOM 1046 ND2 ASN A 183 -0.444 -4.454 12.219 1.00 0.00 N ATOM 0 H ASN A 183 1.379 -2.547 8.346 1.00 0.00 H new ATOM 0 HA ASN A 183 -0.803 -4.278 8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 183 1.392 -4.702 9.535 1.00 0.00 H new ATOM 0 HB3 ASN A 183 1.189 -3.340 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -0.911 -5.010 12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -0.290 -3.457 12.368 1.00 0.00 H new ATOM 1053 N THR A 184 -1.216 -1.439 10.046 1.00 0.00 N ATOM 1054 CA THR A 184 -2.179 -0.601 10.750 1.00 0.00 C ATOM 1055 C THR A 184 -3.028 0.195 9.766 1.00 0.00 C ATOM 1056 O THR A 184 -4.064 0.752 10.130 1.00 0.00 O ATOM 1057 CB THR A 184 -1.475 0.377 11.711 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.569 1.214 10.982 1.00 0.00 O ATOM 1059 CG2 THR A 184 -0.715 -0.378 12.791 1.00 0.00 C ATOM 0 H THR A 184 -0.390 -0.942 9.714 1.00 0.00 H new ATOM 0 HA THR A 184 -2.820 -1.267 11.328 1.00 0.00 H new ATOM 0 HB THR A 184 -2.237 0.994 12.188 1.00 0.00 H new ATOM 0 HG1 THR A 184 -0.543 0.930 10.045 1.00 0.00 H new ATOM 0 HG21 THR A 184 -0.227 0.333 13.457 1.00 0.00 H new ATOM 0 HG22 THR A 184 -1.410 -0.992 13.363 1.00 0.00 H new ATOM 0 HG23 THR A 184 0.037 -1.017 12.328 1.00 0.00 H new ATOM 1067 N PHE A 185 -2.581 0.241 8.516 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.292 0.968 7.470 1.00 0.00 C ATOM 1069 C PHE A 185 -4.541 0.209 7.031 1.00 0.00 C ATOM 1070 O PHE A 185 -5.453 0.787 6.439 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.370 1.199 6.270 1.00 0.00 C ATOM 1072 CG PHE A 185 -2.984 2.045 5.192 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -2.995 3.426 5.300 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -3.551 1.458 4.071 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -3.559 4.207 4.310 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -4.118 2.234 3.078 1.00 0.00 C ATOM 1077 CZ PHE A 185 -4.122 3.611 3.198 1.00 0.00 C ATOM 0 H PHE A 185 -1.726 -0.218 8.201 1.00 0.00 H new ATOM 0 HA PHE A 185 -3.601 1.932 7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -1.452 1.675 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.090 0.234 5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -2.558 3.897 6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -3.549 0.382 3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -3.560 5.283 4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -4.557 1.765 2.210 1.00 0.00 H new ATOM 0 HZ PHE A 185 -4.565 4.220 2.424 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.575 -1.088 7.326 1.00 0.00 N ATOM 1088 CA LEU A 186 -5.711 -1.927 6.958 1.00 0.00 C ATOM 1089 C LEU A 186 -7.024 -1.326 7.467 1.00 0.00 C ATOM 1090 O LEU A 186 -7.113 -0.913 8.624 1.00 0.00 O ATOM 1091 CB LEU A 186 -5.532 -3.340 7.520 1.00 0.00 C ATOM 1092 CG LEU A 186 -4.356 -4.131 6.940 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -4.220 -5.475 7.638 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -4.529 -4.325 5.440 1.00 0.00 C ATOM 0 H LEU A 186 -3.829 -1.580 7.818 1.00 0.00 H new ATOM 0 HA LEU A 186 -5.754 -1.978 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -5.404 -3.270 8.600 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -6.449 -3.902 7.344 1.00 0.00 H new ATOM 0 HG LEU A 186 -3.443 -3.561 7.110 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -3.379 -6.023 7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -4.048 -5.316 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -5.135 -6.051 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -3.684 -4.889 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -5.452 -4.873 5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -4.576 -3.352 4.950 1.00 0.00 H new